data_2rqu_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2rqu _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A 1070 ' ' ARG . . . . . 0.635 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 29.2 ttm180 . . . . . 0 N--CA 1.455 -0.219 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1071 ' ' ARG . . . . . 0.514 ' HB3' ' HB2' ' A' 1127 ' ' LEU . 37.9 ttt180 -127.83 142.53 51.26 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -174.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1072 ' ' VAL . . . . . 0.549 HG13 ' HA ' ' A' 1126 ' ' ILE . 29.3 m -136.46 144.66 32.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.028 0.442 . . . . 0.0 110.454 175.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1073 ' ' LYS . . . . . 0.567 ' HB2' HD13 ' A' 1127 ' ' LEU . 0.1 OUTLIER -111.6 128.17 55.96 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 177.546 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1074 ' ' THR . . . . . 0.533 ' HA ' HG11 ' A' 1124 ' ' VAL . 42.4 p -70.85 118.29 13.44 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.479 0.657 . . . . 0.0 110.283 -177.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1075 ' ' ILE . . . . . 0.641 HG13 ' CD2' ' A' 1076 ' ' TYR . 14.8 pt -101.48 -4.19 9.31 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.375 -177.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1076 ' ' TYR . . . . . 0.757 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 97.5 m-85 -139.61 175.38 9.62 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.05 177.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1077 ' ' ASP . . . . . 0.515 ' HA ' ' HA ' ' A' 1089 ' ' ILE . 7.0 m-20 -108.92 109.38 20.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.51 177.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1078 ' ' CYS . . . . . 0.663 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 32.6 t -121.34 147.86 45.12 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.873 0.368 . . . . 0.0 110.522 -177.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1079 ' ' GLN . . . . . 0.583 ' HA ' HG21 ' A' 1087 ' ' THR . 19.4 tt0 -124.37 141.78 51.81 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.777 0.798 . . . . 0.0 111.75 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1080 ' ' ALA . . . . . 0.467 ' HB3' ' HB2' ' A' 1085 ' ' GLU . . . -76.01 139.11 41.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.339 -1.301 . . . . 0.0 111.481 -177.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -84.27 -41.47 16.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.689 176.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 15.6 m120 -119.55 -174.96 2.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.664 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -70.48 -17.92 62.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.106 0.479 . . . . 0.0 110.743 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1084 ' ' ASP . . . . . 0.495 ' HB2' ' OE2' ' A' 1085 ' ' GLU . 10.1 m-20 -72.1 -36.71 69.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.081 -174.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1085 ' ' GLU . . . . . 0.495 ' OE2' ' HB2' ' A' 1084 ' ' ASP . 5.8 mp0 -86.5 159.62 19.24 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.608 -172.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1086 ' ' LEU . . . . . 0.433 HD13 ' CA ' ' A' 1116 ' ' LYS . 8.8 tt -108.81 116.36 31.84 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.275 -178.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1087 ' ' THR . . . . . 0.583 HG21 ' HA ' ' A' 1079 ' ' GLN . 57.6 m -78.36 125.08 28.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.237 176.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1088 ' ' PHE . . . . . 0.727 ' HE2' ' HD2' ' A' 1120 ' ' PRO . 48.6 p90 -140.17 139.9 35.8 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.268 -178.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1089 ' ' ILE . . . . . 0.597 ' H ' HD12 ' A' 1089 ' ' ILE . 0.2 OUTLIER -109.55 159.92 8.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 176.511 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -56.92 125.59 23.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 123.626 0.579 . . . . 0.0 110.407 -174.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 116.6 -13.74 15.19 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.277 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -76.44 154.21 34.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.119 0.485 . . . . 0.0 110.809 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1093 ' ' VAL . . . . . 0.519 HG22 ' HG2' ' A' 1073 ' ' LYS . 61.1 t -123.6 124.5 69.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 177.034 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1094 ' ' ILE . . . . . 0.736 HG12 HD13 ' A' 1109 ' ' ILE . 20.2 mt -115.56 132.89 63.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 120.958 0.409 . . . . 0.0 110.83 -174.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1095 ' ' ILE . . . . . 0.422 HD11 ' HG3' ' A' 1071 ' ' ARG . 48.0 mm -89.98 111.13 22.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 172.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1096 ' ' VAL . . . . . 0.635 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 48.9 t -74.47 113.74 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.671 -177.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 17.4 p -105.91 -8.34 17.71 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -177.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -164.61 -178.84 38.32 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.387 -0.911 . . . . 0.0 112.879 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -143.78 140.42 29.9 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1100 ' ' GLU . . . . . 0.523 ' HG2' HD12 ' A' 1106 ' ' ILE . 58.2 mm-40 -116.58 -52.47 2.56 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.603 0.716 . . . . 0.0 109.565 177.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1101 ' ' ASP . . . . . 0.708 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 19.6 t70 -122.26 174.74 6.79 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 114.523 -1.217 . . . . 0.0 108.265 178.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -66.2 -39.1 89.42 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-O 121.414 0.625 . . . . 0.0 109.505 175.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -105.89 12.17 30.98 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.41 -0.813 . . . . 0.0 111.169 -175.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1104 ' ' TRP . . . . . 0.708 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 71.9 m95 -141.55 107.39 5.13 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 47.1 m0 -111.58 171.13 7.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.723 0.297 . . . . 0.0 110.881 -176.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1106 ' ' ILE . . . . . 0.703 HG12 HG22 ' A' 1118 ' ' VAL . 55.4 mt -115.93 138.38 46.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.962 -178.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -173.47 -169.69 36.13 Favored Glycine 0 N--CA 1.441 -0.987 0 C-N-CA 119.924 -1.132 . . . . 0.0 112.593 176.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1108 ' ' HIS . . . . . 0.529 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 19.7 p-80 -142.55 148.73 38.06 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1109 ' ' ILE . . . . . 0.736 HD13 HG12 ' A' 1094 ' ' ILE . 41.2 mm -62.88 137.21 24.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.063 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -53.04 -62.5 1.62 Allowed 'General case' 0 C--N 1.322 -0.616 0 O-C-N 123.252 0.345 . . . . 0.0 111.666 -173.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -84.11 -0.01 89.5 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.49 -178.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -132.12 79.2 67.25 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-O 120.86 0.362 . . . . 0.0 110.303 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.91 -6.41 18.04 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 123.24 2.627 . . . . 0.0 112.79 -177.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -83.7 -21.62 32.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.148 0.499 . . . . 0.0 109.756 178.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -92.04 92.65 8.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.983 177.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1116 ' ' LYS . . . . . 0.529 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 0.0 OUTLIER -133.29 153.54 51.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.719 0.295 . . . . 0.0 110.732 178.356 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 160.42 -164.96 34.76 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1118 ' ' VAL . . . . . 0.703 HG22 HG12 ' A' 1106 ' ' ILE . 11.8 t -100.45 129.51 51.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.907 0.384 . . . . 0.0 110.624 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1119 ' ' PHE . . . . . 0.518 ' HB2' ' CE2' ' A' 1088 ' ' PHE . 27.3 p90 -127.38 147.35 61.83 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.323 -175.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1120 ' ' PRO . . . . . 0.727 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 57.7 Cg_endo -76.18 128.64 10.71 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.595 2.197 . . . . 0.0 112.62 179.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1121 ' ' VAL . . . . . 0.548 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 87.4 t -66.66 -18.23 23.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.513 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -25.29 68.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.875 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1123 ' ' PHE . . . . . 0.663 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.5 OUTLIER -109.35 2.49 20.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.0 0.428 . . . . 0.0 110.97 -174.566 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.548 ' CG2' ' HA ' ' A' 1121 ' ' VAL . 10.6 m -126.85 164.41 27.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.973 0.415 . . . . 0.0 111.097 -179.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 62.1 t60 -123.11 128.47 50.14 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.937 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1126 ' ' ILE . . . . . 0.549 ' HA ' HG13 ' A' 1072 ' ' VAL . 1.8 mp -70.07 123.97 25.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.4 -177.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1127 ' ' LEU . . . . . 0.567 HD13 ' HB2' ' A' 1073 ' ' LYS . 66.5 mt -98.41 54.29 1.07 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.447 -177.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 14.8 t -118.13 20.01 13.36 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 172.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 20.6 t70 . . . . . 0 C--O 1.25 1.101 0 CA-C-N 114.519 -1.219 . . . . 0.0 109.973 -175.899 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 39.5 m . . . . . 0 N--CA 1.476 0.842 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 16.9 mt -68.44 130.37 33.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.106 0.479 . . . . 0.0 110.242 176.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1580 ' ' ILE . . . . . 0.47 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.6 mp -81.92 131.54 33.58 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.479 175.163 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 6.3 t 46.59 -142.67 0.36 Allowed 'General case' 0 C--O 1.239 0.511 0 O-C-N 123.782 0.676 . . . . 0.0 112.103 174.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -106.78 152.14 24.24 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.064 -0.971 . . . . 0.0 108.764 169.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1583 ' ' MET . . . . . 0.426 ' HA ' ' CE1' ' A' 1076 ' ' TYR . 3.1 ttm -54.17 132.41 60.26 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -175.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1584 ' ' PRO . . . . . 0.757 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 88.9 Cg_endo -83.21 -176.12 2.68 Favored 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 123.189 2.593 . . . . 0.0 111.055 177.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 6.0 m -109.13 132.56 54.0 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.03 -176.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1586 ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -59.97 107.96 0.7 Allowed 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 172.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 9.2 p -67.6 -4.81 12.9 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.814 -171.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1588 ' ' SER . . . . . . . . . . . . . 68.2 m 66.8 116.88 0.03 OUTLIER 'General case' 0 CA--C 1.52 -0.206 0 O-C-N 123.848 0.718 . . . . 0.0 110.038 -173.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B 1589 ' ' ARG . . . . . 0.429 ' HD3' ' CE3' ' A' 1104 ' ' TRP . 39.4 ttp85 -66.87 104.59 1.38 Allowed 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.164 -174.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B 1590 ' ' LYS . . . . . 0.806 ' H ' ' HD2' ' B' 1590 ' ' LYS . 0.0 OUTLIER -59.49 -31.69 69.58 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.74 -176.867 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.548 178.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 1071 ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' 1071 ' ' ARG . 32.4 ttt180 -113.87 136.07 53.28 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.998 -172.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1072 ' ' VAL . . . . . 0.583 HG11 ' HA ' ' A' 1126 ' ' ILE . 33.1 m -127.52 152.36 35.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.056 0.455 . . . . 0.0 110.672 178.322 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1073 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.58 132.98 55.42 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.542 -0.911 . . . . 0.0 108.542 179.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1074 ' ' THR . . . . . 0.529 ' HA ' HG11 ' A' 1124 ' ' VAL . 61.8 p -76.08 124.89 28.13 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.174 0.512 . . . . 0.0 110.629 -176.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1075 ' ' ILE . . . . . 0.572 HG13 ' CD2' ' A' 1076 ' ' TYR . 17.4 pt -104.04 -3.49 9.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.363 0.601 . . . . 0.0 110.468 -177.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1076 ' ' TYR . . . . . 0.843 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 90.3 m-85 -139.21 172.82 12.27 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.936 178.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1077 ' ' ASP . . . . . 0.465 ' O ' ' HE1' ' B' 1583 ' ' MET . 23.2 m-20 -104.24 110.48 22.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.327 -0.852 . . . . 0.0 109.435 176.101 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1078 ' ' CYS . . . . . 0.554 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 25.1 t -122.02 152.06 40.16 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.888 0.375 . . . . 0.0 110.634 -176.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1079 ' ' GLN . . . . . 0.545 ' HA ' HG23 ' A' 1087 ' ' THR . 42.0 tt0 -134.6 144.52 47.95 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.008 178.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1080 ' ' ALA . . . . . . . . . . . . . . . -60.61 132.96 55.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.725 -1.125 . . . . 0.0 112.373 -175.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 18.9 t70 -79.17 -46.52 17.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.615 176.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -112.51 -170.28 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.175 -0.921 . . . . 0.0 108.822 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 17.0 t70 -74.45 -26.06 59.82 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.123 0.487 . . . . 0.0 110.73 177.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 32.1 t70 -82.3 -22.33 35.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.992 -172.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -76.43 160.54 29.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.981 0.419 . . . . 0.0 110.866 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1086 ' ' LEU . . . . . 0.469 ' HB3' ' HB3' ' A' 1119 ' ' PHE . 17.0 tp -98.14 142.44 29.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.13 -179.014 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1087 ' ' THR . . . . . 0.545 HG23 ' HA ' ' A' 1079 ' ' GLN . 91.1 m -107.49 119.07 38.39 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 172.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1088 ' ' PHE . . . . . 0.573 ' CE1' ' HD2' ' A' 1120 ' ' PRO . 21.6 p90 -141.31 137.59 32.54 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.503 -175.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1089 ' ' ILE . . . . . 0.587 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -106.65 157.97 6.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.416 -176.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1090 ' ' GLU . . . . . 0.623 ' HG3' HG12 ' B' 1579 ' ' ILE . 2.1 tm-20 -57.48 128.02 34.96 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 123.357 0.411 . . . . 0.0 110.241 -176.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 104.6 -1.46 42.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.771 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -89.92 161.23 16.02 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 64.4 t -126.8 128.54 71.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.945 -177.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1094 ' ' ILE . . . . . 0.525 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 19.2 mt -116.87 132.02 67.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.986 0.422 . . . . 0.0 110.486 -176.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 49.7 mm -90.53 114.68 28.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 172.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 39.2 t -75.68 116.93 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.864 0.364 . . . . 0.0 110.419 -176.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1097 ' ' THR . . . . . 0.463 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 21.0 p -103.45 -19.34 14.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.975 -179.172 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -162.85 -171.62 29.29 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.62 -179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -156.51 135.77 12.12 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -177.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -120.83 -33.18 3.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.367 0.603 . . . . 0.0 109.949 -177.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1101 ' ' ASP . . . . . 0.793 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 10.1 t70 -127.74 168.57 14.91 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 177.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -64.24 -39.22 93.52 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 121.512 0.672 . . . . 0.0 109.455 176.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -113.24 18.95 17.5 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.757 -174.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1104 ' ' TRP . . . . . 0.793 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 59.8 m95 -142.24 109.15 5.45 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.785 177.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 45.8 m0 -112.01 165.94 11.67 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.011 0.434 . . . . 0.0 110.997 -175.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1106 ' ' ILE . . . . . 0.621 HG12 HG22 ' A' 1118 ' ' VAL . 55.4 mt -115.86 135.4 56.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.706 -176.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1107 ' ' GLY . . . . . 0.463 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -177.17 -164.51 30.99 Favored Glycine 0 N--CA 1.439 -1.117 0 C-N-CA 120.118 -1.039 . . . . 0.0 112.176 178.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1108 ' ' HIS . . . . . 0.456 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 14.1 p-80 -142.94 151.44 40.94 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 -178.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1109 ' ' ILE . . . . . 0.824 ' HB ' ' HB2' ' A' 1112 ' ' GLN . 30.0 mm -65.12 135.43 28.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.245 0.545 . . . . 0.0 109.578 178.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -61.27 -38.5 86.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.939 -1.028 . . . . 0.0 112.047 -174.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -98.4 -0.12 58.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.938 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1112 ' ' GLN . . . . . 0.824 ' HB2' ' HB ' ' A' 1109 ' ' ILE . 35.0 mt-30 -134.74 73.44 67.1 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -178.237 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -60.97 -32.04 92.02 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 123.056 2.504 . . . . 0.0 113.3 -170.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -80.47 -8.01 59.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.131 0.491 . . . . 0.0 110.687 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1115 ' ' ARG . . . . . 0.428 ' HD2' ' OE1' ' A' 1112 ' ' GLN . 89.6 mtt180 -94.73 90.02 5.93 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 174.262 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1116 ' ' LYS . . . . . 0.456 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 0.0 OUTLIER -126.33 156.3 40.66 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.861 179.195 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 167.56 -167.01 39.7 Favored Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1118 ' ' VAL . . . . . 0.621 HG22 HG12 ' A' 1106 ' ' ILE . 11.7 t -100.98 117.69 46.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.135 0.493 . . . . 0.0 110.454 179.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1119 ' ' PHE . . . . . 0.469 ' HB3' ' HB3' ' A' 1086 ' ' LEU . 22.2 p90 -110.34 142.0 25.1 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.403 -177.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1120 ' ' PRO . . . . . 0.573 ' HD2' ' CE1' ' A' 1088 ' ' PHE . 55.5 Cg_endo -74.03 129.32 13.13 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.566 2.177 . . . . 0.0 112.213 176.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1121 ' ' VAL . . . . . 0.548 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 61.1 t -66.42 -14.73 18.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.681 0.753 . . . . 0.0 109.84 177.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1122 ' ' SER . . . . . 0.58 ' OG ' ' HB2' ' B' 1587 ' ' SER . 1.1 m -61.22 -27.43 68.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.986 178.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1123 ' ' PHE . . . . . 0.554 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.9 OUTLIER -111.4 3.02 17.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.101 0.477 . . . . 0.0 110.931 -174.464 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.548 ' CG2' ' HA ' ' A' 1121 ' ' VAL . 17.5 m -129.09 171.97 16.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.08 0.467 . . . . 0.0 111.092 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 19.8 t60 -136.0 138.84 42.65 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1126 ' ' ILE . . . . . 0.583 ' HA ' HG11 ' A' 1072 ' ' VAL . 2.6 mp -84.26 127.65 39.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.047 0.451 . . . . 0.0 111.144 -175.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 9.8 mp -102.1 100.19 10.4 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.641 0.734 . . . . 0.0 110.214 177.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 12.8 p -109.87 32.1 5.34 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.289 176.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 29.7 t70 . . . . . 0 C--O 1.246 0.921 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.224 -174.879 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 75.5 m . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B 1579 ' ' ILE . . . . . 0.623 HG12 ' HG3' ' A' 1090 ' ' GLU . 12.4 mt -78.47 127.4 38.78 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.394 0 CA-C-O 121.057 0.456 . . . . 0.0 110.085 176.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1580 ' ' ILE . . . . . 0.4 ' O ' ' CE1' ' A' 1076 ' ' TYR . 1.7 mp -84.75 120.06 34.67 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.247 175.294 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 10.8 t 56.61 -154.75 0.33 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.476 0.655 . . . . 0.0 111.97 169.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -96.28 161.4 13.96 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 170.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1583 ' ' MET . . . . . 0.491 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 1.0 OUTLIER -55.47 134.73 70.51 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -174.655 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B 1584 ' ' PRO . . . . . 0.843 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 64.7 Cg_endo -85.04 -176.03 2.25 Favored 'Trans proline' 0 N--CA 1.451 -1.016 0 C-N-CA 123.099 2.532 . . . . 0.0 110.935 177.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 10.9 m -104.76 136.46 44.23 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -178.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1586 ' ' LYS . . . . . 0.411 ' HB2' ' HE3' ' B' 1586 ' ' LYS . 20.7 ttmt -50.64 115.24 1.39 Allowed 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 172.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1587 ' ' SER . . . . . 0.58 ' HB2' ' OG ' ' A' 1122 ' ' SER . 24.2 t -58.93 -16.16 16.41 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 123.713 0.633 . . . . 0.0 112.365 -171.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1588 ' ' SER . . . . . . . . . . . . . 66.8 m 62.7 95.88 0.04 OUTLIER 'General case' 0 C--O 1.232 0.134 0 CA-C-O 121.311 0.577 . . . . 0.0 110.029 -175.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B 1589 ' ' ARG . . . . . 0.401 HH11 ' HD3' ' B' 1589 ' ' ARG . 11.5 ttp180 -57.9 124.94 20.95 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.372 -174.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B 1590 ' ' LYS . . . . . 0.633 ' H ' ' HD2' ' B' 1590 ' ' LYS . 0.0 OUTLIER -74.8 -6.55 49.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.684 0.754 . . . . 0.0 109.421 -177.462 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.515 170.792 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 1070 ' ' ARG . . . . . 0.535 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 38.7 ttm180 . . . . . 0 N--CA 1.455 -0.184 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1071 ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' 1071 ' ' ARG . 41.9 ttm105 -137.53 130.34 30.15 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.864 0.364 . . . . 0.0 111.055 -178.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1072 ' ' VAL . . . . . 0.539 HG11 ' HA ' ' A' 1126 ' ' ILE . 33.4 m -118.4 152.99 20.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.272 176.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1073 ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' 1074 ' ' THR . 0.1 OUTLIER -118.33 133.07 56.2 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.054 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1074 ' ' THR . . . . . 0.56 ' HA ' HG12 ' A' 1124 ' ' VAL . 66.0 p -76.32 125.47 29.24 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 -175.015 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1075 ' ' ILE . . . . . 0.467 ' O ' ' HA ' ' B' 1579 ' ' ILE . 15.4 pt -100.73 -1.26 9.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.772 0.796 . . . . 0.0 109.582 179.272 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1076 ' ' TYR . . . . . 0.743 ' CE1' ' HA ' ' B' 1583 ' ' MET . 26.1 m-85 -144.97 175.72 10.01 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.02 -1.446 . . . . 0.0 110.262 -179.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1077 ' ' ASP . . . . . 0.447 ' HB2' HG22 ' A' 1089 ' ' ILE . 2.0 p-10 -118.48 125.72 50.5 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 175.078 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1078 ' ' CYS . . . . . 0.669 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 49.0 t -133.39 145.31 50.21 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.379 -175.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1079 ' ' GLN . . . . . 0.583 ' HA ' HG21 ' A' 1087 ' ' THR . 44.4 tt0 -122.48 144.93 48.76 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.192 -177.439 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1080 ' ' ALA . . . . . 0.417 ' HA ' ' HB3' ' A' 1085 ' ' GLU . . . -45.29 128.41 7.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.397 -1.274 . . . . 0.0 113.21 -173.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 29.5 t70 -74.93 -50.99 14.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.269 -1.332 . . . . 0.0 109.136 174.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 7.7 m120 -129.89 -168.24 1.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.602 171.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 38.7 t70 -62.24 -33.19 74.11 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -177.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 16.0 t70 -83.8 -11.07 57.58 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 120.935 0.397 . . . . 0.0 111.966 -173.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1085 ' ' GLU . . . . . 0.417 ' HB3' ' HA ' ' A' 1080 ' ' ALA . 10.4 mp0 -79.35 152.76 30.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.226 0.536 . . . . 0.0 111.311 178.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1086 ' ' LEU . . . . . 0.413 HD12 ' C ' ' A' 1116 ' ' LYS . 6.8 tt -107.57 124.08 49.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.951 -178.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1087 ' ' THR . . . . . 0.583 HG21 ' HA ' ' A' 1079 ' ' GLN . 60.3 m -85.05 128.52 34.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.763 176.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1088 ' ' PHE . . . . . 0.609 ' HE2' ' HD2' ' A' 1120 ' ' PRO . 13.6 p90 -137.99 158.31 44.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.119 178.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1089 ' ' ILE . . . . . 0.528 HD12 ' HB2' ' A' 1092 ' ' GLU . 1.7 pp -123.0 153.68 28.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.388 178.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1090 ' ' GLU . . . . . 0.633 ' HG3' HG12 ' B' 1579 ' ' ILE . 2.4 tm-20 -56.12 123.87 15.93 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 123.257 0.348 . . . . 0.0 110.197 -177.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 107.18 -1.51 35.19 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.882 -178.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1092 ' ' GLU . . . . . 0.528 ' HB2' HD12 ' A' 1089 ' ' ILE . 3.2 tp10 -84.92 160.1 20.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.024 0.44 . . . . 0.0 110.063 178.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 98.4 t -126.04 118.16 50.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.146 -176.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1094 ' ' ILE . . . . . 0.555 HG12 HD13 ' A' 1109 ' ' ILE . 17.4 mt -112.06 128.15 68.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.181 0.515 . . . . 0.0 110.93 -175.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 43.4 mm -87.93 115.04 27.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 172.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1096 ' ' VAL . . . . . 0.535 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 17.8 t -82.32 128.96 38.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 -175.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 14.2 p -106.16 -20.33 13.44 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.297 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -172.77 -171.4 37.51 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.494 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -135.13 157.24 47.42 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 179.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1100 ' ' GLU . . . . . 0.453 ' CD ' HH21 ' B' 1589 ' ' ARG . 31.5 tt0 -131.1 -36.6 1.31 Allowed 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.737 0.78 . . . . 0.0 109.035 173.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1101 ' ' ASP . . . . . 0.631 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 29.3 t70 -128.71 171.17 12.46 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 173.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -69.57 -30.87 68.75 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 121.676 0.751 . . . . 0.0 109.457 175.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -110.32 5.08 21.35 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.96 -174.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1104 ' ' TRP . . . . . 0.631 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 78.3 m95 -137.29 106.09 5.91 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.478 177.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1105 ' ' TRP . . . . . 0.417 ' CZ3' ' HD3' ' A' 1070 ' ' ARG . 44.6 m0 -106.67 166.62 10.44 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.04 -177.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1106 ' ' ILE . . . . . 0.775 HG12 HG22 ' A' 1118 ' ' VAL . 36.6 mt -116.77 135.26 57.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.171 -175.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -177.88 -165.12 32.31 Favored Glycine 0 N--CA 1.442 -0.959 0 C-N-CA 119.913 -1.137 . . . . 0.0 112.867 177.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1108 ' ' HIS . . . . . 0.501 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 10.8 p-80 -145.52 148.55 33.34 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -178.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1109 ' ' ILE . . . . . 0.602 ' HB ' ' HB2' ' A' 1112 ' ' GLN . 36.3 mm -63.5 134.8 28.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.135 -179.117 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -56.82 -57.01 14.35 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 -171.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -82.81 -9.69 84.16 Favored Glycine 0 CA--C 1.517 0.214 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.61 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1112 ' ' GLN . . . . . 0.602 ' HB2' ' HB ' ' A' 1109 ' ' ILE . 18.9 mp0 -121.1 74.86 29.08 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -63.85 -26.27 67.42 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 123.101 2.534 . . . . 0.0 113.603 -169.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -83.1 -6.59 59.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.811 0.339 . . . . 0.0 111.261 -177.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 74.0 mtt-85 -94.5 91.71 6.75 Favored 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 174.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1116 ' ' LYS . . . . . 0.501 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 0.2 OUTLIER -131.3 161.56 32.05 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.698 -178.618 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 156.85 -160.83 30.63 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -177.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1118 ' ' VAL . . . . . 0.775 HG22 HG12 ' A' 1106 ' ' ILE . 39.8 t -106.61 133.12 52.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.896 0.379 . . . . 0.0 110.401 178.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1119 ' ' PHE . . . . . 0.56 ' HB2' ' HE2' ' A' 1088 ' ' PHE . 26.7 p90 -128.84 149.42 72.24 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.392 -175.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1120 ' ' PRO . . . . . 0.609 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 85.1 Cg_endo -80.61 127.93 6.64 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.692 2.261 . . . . 0.0 112.97 -178.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1121 ' ' VAL . . . . . 0.579 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 59.8 t -65.93 -15.87 19.61 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.25 177.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1122 ' ' SER . . . . . 0.578 ' HB2' ' HD1' ' A' 1123 ' ' PHE . 1.1 m -60.85 -31.32 70.77 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.021 179.235 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1123 ' ' PHE . . . . . 0.669 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.4 OUTLIER -108.4 4.6 24.56 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 121.057 0.456 . . . . 0.0 110.402 -174.407 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.579 ' CG2' ' HA ' ' A' 1121 ' ' VAL . 27.1 m -130.57 174.46 12.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.038 0.447 . . . . 0.0 111.684 -177.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -137.7 142.97 41.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.374 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1126 ' ' ILE . . . . . 0.539 ' HA ' HG11 ' A' 1072 ' ' VAL . 1.9 mp -83.32 123.5 38.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.708 -177.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1127 ' ' LEU . . . . . 0.409 HD22 ' HB2' ' A' 1073 ' ' LYS . 11.1 mp -109.73 -72.56 0.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.044 178.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 46.0 m 50.45 41.74 25.41 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.756 -175.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 C--O 1.248 1.004 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.045 -179.734 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 76.0 m . . . . . 0 N--CA 1.476 0.872 0 CA-C-O 120.911 0.386 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B 1579 ' ' ILE . . . . . 0.633 HG12 ' HG3' ' A' 1090 ' ' GLU . 59.5 mt -78.34 132.41 32.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.569 178.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1580 ' ' ILE . . . . . 0.492 HG23 ' O ' ' B' 1580 ' ' ILE . 1.6 mp -89.67 102.19 12.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.046 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 16.4 m 75.41 -148.54 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.59 0.756 . . . . 0.0 111.401 -176.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -117.81 151.73 36.75 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 177.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1583 ' ' MET . . . . . 0.743 ' HA ' ' CE1' ' A' 1076 ' ' TYR . 29.0 ttm -41.13 126.41 2.09 Favored Pre-proline 0 N--CA 1.472 0.663 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -165.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1584 ' ' PRO . . . . . 0.652 ' HD3' ' CZ ' ' A' 1076 ' ' TYR . 73.0 Cg_endo -80.46 -175.81 2.88 Favored 'Trans proline' 0 N--CA 1.445 -1.375 0 C-N-CA 123.174 2.582 . . . . 0.0 110.309 177.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 34.4 m -109.77 138.04 46.71 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -176.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1586 ' ' LYS . . . . . 0.434 ' C ' ' H ' ' B' 1588 ' ' SER . 22.8 ttmt -59.59 102.38 0.14 Allowed 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 174.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 23.4 t -70.04 5.7 1.52 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.948 -170.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B 1588 ' ' SER . . . . . 0.434 ' H ' ' C ' ' B' 1586 ' ' LYS . 22.6 t 67.83 140.63 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 122.069 0.938 . . . . 0.0 110.591 -177.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1589 ' ' ARG . . . . . 0.453 HH21 ' CD ' ' A' 1100 ' ' GLU . 44.7 ttt180 -87.53 107.12 18.43 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 115.161 -0.927 . . . . 0.0 108.766 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1590 ' ' LYS . . . . . 0.427 ' H ' ' HD2' ' B' 1590 ' ' LYS . 5.9 mptt -69.88 -9.65 55.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.239 -168.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.586 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.192 177.913 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 1070 ' ' ARG . . . . . 0.441 ' HD3' ' CZ3' ' A' 1105 ' ' TRP . 42.8 ttm180 . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.901 0.381 . . . . 0.0 110.225 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -137.26 144.74 42.88 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.596 -177.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1072 ' ' VAL . . . . . 0.539 HG11 ' HA ' ' A' 1126 ' ' ILE . 28.9 m -128.1 155.0 39.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.173 175.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1073 ' ' LYS . . . . . 0.433 ' HD2' ' N ' ' A' 1074 ' ' THR . 0.6 OUTLIER -118.59 132.53 56.2 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 175.743 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1074 ' ' THR . . . . . 0.562 ' HA ' HG11 ' A' 1124 ' ' VAL . 65.4 p -71.93 118.52 14.88 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.165 0.507 . . . . 0.0 110.504 -177.226 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1075 ' ' ILE . . . . . 0.547 HG13 ' CD2' ' A' 1076 ' ' TYR . 19.6 pt -97.49 -9.14 9.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.145 -177.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1076 ' ' TYR . . . . . 0.797 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 96.8 m-85 -138.49 175.79 9.26 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.825 177.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1077 ' ' ASP . . . . . 0.483 ' HA ' ' HA ' ' A' 1089 ' ' ILE . 8.0 m-20 -103.75 119.44 38.91 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.922 -1.035 . . . . 0.0 108.564 173.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1078 ' ' CYS . . . . . 0.678 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 52.1 t -129.07 137.15 51.1 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.832 0.349 . . . . 0.0 110.671 -178.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1079 ' ' GLN . . . . . 0.563 ' HA ' HG21 ' A' 1087 ' ' THR . 50.7 tt0 -117.88 142.87 46.85 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.568 0.699 . . . . 0.0 111.101 176.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1080 ' ' ALA . . . . . 0.579 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -88.97 166.76 13.7 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.366 -1.288 . . . . 0.0 111.846 -174.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -104.73 -33.26 8.52 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.195 173.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -111.22 146.04 37.65 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.279 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 35.7 t70 -63.14 -19.18 64.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.192 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 19.0 t70 -74.07 -23.73 59.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.255 0.55 . . . . 0.0 110.532 177.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1085 ' ' GLU . . . . . 0.579 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 41.6 mt-10 -90.11 156.64 18.22 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.044 -177.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1086 ' ' LEU . . . . . 0.527 ' HB3' ' HB3' ' A' 1119 ' ' PHE . 11.7 tp -97.3 122.07 39.92 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.82 0.343 . . . . 0.0 111.836 -172.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1087 ' ' THR . . . . . 0.563 HG21 ' HA ' ' A' 1079 ' ' GLN . 98.5 m -94.66 119.46 33.33 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 171.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1088 ' ' PHE . . . . . 0.67 ' HE2' ' HD2' ' A' 1120 ' ' PRO . 17.0 p90 -136.69 158.89 43.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.82 -175.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1089 ' ' ILE . . . . . 0.571 HD11 ' H ' ' A' 1089 ' ' ILE . 0.2 OUTLIER -122.97 157.32 28.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 176.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -55.71 123.69 14.97 Favored 'General case' 0 C--O 1.237 0.413 0 O-C-N 123.457 0.473 . . . . 0.0 110.324 -176.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 116.65 -6.3 18.37 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.457 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1092 ' ' GLU . . . . . 0.403 ' HG2' HD11 ' A' 1089 ' ' ILE . 18.9 mm-40 -84.21 154.32 23.11 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.297 0.57 . . . . 0.0 111.295 177.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 97.5 t -121.46 116.92 51.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.849 -177.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1094 ' ' ILE . . . . . 0.58 HG12 HD12 ' A' 1109 ' ' ILE . 9.6 mt -111.04 128.83 67.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.902 0.382 . . . . 0.0 110.822 -174.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 42.5 mm -88.2 120.35 37.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 172.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 43.4 t -80.66 116.8 25.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 120.971 0.415 . . . . 0.0 110.389 -176.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1097 ' ' THR . . . . . 0.498 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 21.5 p -103.33 -17.06 15.45 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.01 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -163.51 -171.82 30.22 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.785 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -157.29 137.53 12.75 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 -176.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -125.81 -36.48 2.39 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.595 0.712 . . . . 0.0 109.627 -177.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1101 ' ' ASP . . . . . 0.69 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 20.7 t70 -123.88 168.32 12.93 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 173.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -71.01 -27.96 64.06 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 122.038 0.923 . . . . 0.0 108.635 177.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -113.83 9.25 17.57 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 113.882 -1.508 . . . . 0.0 110.969 -175.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1104 ' ' TRP . . . . . 0.69 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 71.3 m95 -140.12 106.64 5.32 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-O 121.289 0.566 . . . . 0.0 110.366 176.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1105 ' ' TRP . . . . . 0.441 ' CZ3' ' HD3' ' A' 1070 ' ' ARG . 45.8 m0 -108.16 164.64 12.13 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.906 -176.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1106 ' ' ILE . . . . . 0.627 HG12 HG21 ' A' 1118 ' ' VAL . 46.2 mt -116.27 137.65 49.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.052 -177.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1107 ' ' GLY . . . . . 0.498 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -177.06 -159.62 22.63 Favored Glycine 0 N--CA 1.435 -1.381 0 C-N-CA 120.287 -0.958 . . . . 0.0 112.157 177.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -148.08 150.71 34.38 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1109 ' ' ILE . . . . . 0.946 ' HB ' ' HB2' ' A' 1112 ' ' GLN . 32.5 mm -65.8 132.95 31.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -55.02 -51.19 67.06 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -169.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -90.37 2.06 80.36 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.415 -179.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1112 ' ' GLN . . . . . 0.946 ' HB2' ' HB ' ' A' 1109 ' ' ILE . 40.7 mt-30 -126.45 72.33 72.78 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -64.94 -26.84 58.68 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.841 2.36 . . . . 0.0 113.303 -169.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -79.05 -15.68 57.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.779 0.323 . . . . 0.0 110.995 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1115 ' ' ARG . . . . . 0.533 ' HD2' ' OE1' ' A' 1112 ' ' GLN . 99.5 mtt180 -93.69 89.66 6.29 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 177.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1116 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.52 170.25 9.86 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.491 176.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 154.73 -171.82 33.12 Favored Glycine 0 N--CA 1.441 -1.003 0 C-N-CA 120.646 -0.788 . . . . 0.0 111.948 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1118 ' ' VAL . . . . . 0.627 HG21 HG12 ' A' 1106 ' ' ILE . 12.9 t -100.9 117.27 45.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.063 0.459 . . . . 0.0 110.367 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1119 ' ' PHE . . . . . 0.527 ' HB3' ' HB3' ' A' 1086 ' ' LEU . 19.6 p90 -109.88 143.41 27.86 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.51 -176.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1120 ' ' PRO . . . . . 0.67 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 71.3 Cg_endo -77.57 127.14 8.69 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 122.603 2.202 . . . . 0.0 112.455 178.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1121 ' ' VAL . . . . . 0.587 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 61.6 t -66.12 -15.97 19.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.175 178.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1122 ' ' SER . . . . . 0.483 ' HB2' ' HD1' ' A' 1123 ' ' PHE . 3.0 m -61.8 -25.99 67.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.677 178.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1123 ' ' PHE . . . . . 0.678 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.8 OUTLIER -115.11 4.56 14.66 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.066 0.46 . . . . 0.0 110.869 -175.216 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.587 ' CG2' ' HA ' ' A' 1121 ' ' VAL . 20.5 m -131.2 160.72 42.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.764 -178.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 19.4 t60 -128.48 136.96 51.53 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1126 ' ' ILE . . . . . 0.539 ' HA ' HG11 ' A' 1072 ' ' VAL . 2.1 mp -75.2 124.47 33.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.021 -175.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 2.8 mp -89.22 -26.2 21.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.786 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 12.3 m -72.84 74.49 1.14 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.251 176.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 29.8 t70 . . . . . 0 C--O 1.247 0.923 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.892 -175.23 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 39.9 m . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B 1579 ' ' ILE . . . . . 0.415 HG23 HD11 ' B' 1579 ' ' ILE . 21.6 mt -68.34 126.38 28.08 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.405 0 CA-C-O 120.946 0.403 . . . . 0.0 110.14 176.079 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1580 ' ' ILE . . . . . 0.419 ' O ' ' CE1' ' A' 1076 ' ' TYR . 1.7 mp -78.23 114.03 18.28 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 174.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 75.7 m 55.62 -152.82 0.35 Allowed 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 170.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -91.3 158.32 16.63 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.848 173.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1583 ' ' MET . . . . . 0.626 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 2.1 ttm -59.84 137.83 90.36 Favored Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -174.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1584 ' ' PRO . . . . . 0.797 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 53.6 Cg_endo -88.69 -175.61 1.28 Allowed 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 123.592 2.861 . . . . 0.0 111.071 177.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 19.8 m -115.56 137.54 51.97 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -177.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1586 ' ' LYS . . . . . 0.44 ' C ' ' H ' ' B' 1588 ' ' SER . 24.5 ttmt -55.05 103.53 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 172.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 24.4 t -77.75 24.9 0.21 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.931 -169.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B 1588 ' ' SER . . . . . 0.44 ' H ' ' C ' ' B' 1586 ' ' LYS . 44.2 m 63.27 125.88 0.01 OUTLIER 'General case' 0 C--O 1.233 0.215 0 CA-C-O 122.072 0.939 . . . . 0.0 112.301 178.223 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1589 ' ' ARG . . . . . 0.574 HH11 ' HG2' ' A' 1085 ' ' GLU . 63.3 ttt180 -78.01 107.77 10.8 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 174.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1590 ' ' LYS . . . . . 0.415 ' HB2' ' OD1' ' A' 1101 ' ' ASP . 35.2 mttp -77.99 -12.56 60.0 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.999 -168.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.773 177.791 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 34.1 ttp180 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 121.253 0.549 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 1071 ' ' ARG . . . . . 0.535 ' HG2' HD12 ' A' 1095 ' ' ILE . 85.2 mtm180 -116.21 171.26 7.93 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.855 176.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1072 ' ' VAL . . . . . 0.549 HG13 ' HA ' ' A' 1126 ' ' ILE . 17.8 m -140.62 142.68 30.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 171.201 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1073 ' ' LYS . . . . . 0.586 ' HB2' HD13 ' A' 1127 ' ' LEU . 0.2 OUTLIER -109.56 131.23 55.26 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.603 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1074 ' ' THR . . . . . 0.597 ' HA ' HG11 ' A' 1124 ' ' VAL . 64.8 p -73.32 111.74 8.73 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.638 0.732 . . . . 0.0 110.082 -178.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1075 ' ' ILE . . . . . 0.598 HG13 ' CD2' ' A' 1076 ' ' TYR . 13.6 pt -93.69 -6.72 10.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.444 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1076 ' ' TYR . . . . . 0.73 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 96.0 m-85 -138.06 174.13 10.89 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 113.918 -1.492 . . . . 0.0 110.126 176.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1077 ' ' ASP . . . . . 0.452 ' HB2' HG22 ' A' 1089 ' ' ILE . 6.9 p-10 -107.1 129.49 54.82 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.121 172.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1078 ' ' CYS . . . . . 0.802 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 45.6 t -138.98 140.16 38.13 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 121.054 0.454 . . . . 0.0 110.517 -178.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1079 ' ' GLN . . . . . 0.583 ' HA ' HG23 ' A' 1087 ' ' THR . 2.0 mp0 -108.43 175.92 5.3 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.339 178.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1080 ' ' ALA . . . . . 0.589 ' HA ' ' HG2' ' A' 1085 ' ' GLU . . . -44.25 142.79 1.39 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 113.938 -1.483 . . . . 0.0 114.634 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 26.2 t0 -110.03 -19.26 13.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.44 170.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -159.43 -166.84 1.88 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.418 -179.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 18.4 t70 -69.22 -39.51 78.53 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.892 0.377 . . . . 0.0 111.551 -177.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 28.3 p-10 -103.63 77.4 1.48 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.645 0.736 . . . . 0.0 111.242 -174.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1085 ' ' GLU . . . . . 0.589 ' HG2' ' HA ' ' A' 1080 ' ' ALA . 0.0 OUTLIER -134.76 -173.92 3.44 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.43 0.633 . . . . 0.0 112.085 -178.202 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1086 ' ' LEU . . . . . 0.504 HD13 ' HA ' ' A' 1116 ' ' LYS . 5.9 tt -131.82 104.92 7.15 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.059 -0.973 . . . . 0.0 108.986 172.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1087 ' ' THR . . . . . 0.583 HG23 ' HA ' ' A' 1079 ' ' GLN . 29.9 m -79.91 133.99 36.26 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.846 178.08 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1088 ' ' PHE . . . . . 0.626 ' HE2' ' HB2' ' A' 1119 ' ' PHE . 7.4 p90 -145.82 164.01 33.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.381 0.61 . . . . 0.0 111.954 -174.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1089 ' ' ILE . . . . . 0.505 HD12 ' HG2' ' A' 1092 ' ' GLU . 1.8 pp -129.38 161.75 38.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.333 -0.848 . . . . 0.0 110.077 176.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -55.1 124.28 16.35 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.546 0.529 . . . . 0.0 110.567 -178.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 116.7 -13.67 14.95 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.209 178.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1092 ' ' GLU . . . . . 0.505 ' HG2' HD12 ' A' 1089 ' ' ILE . 62.9 mm-40 -73.75 152.06 40.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.364 0.602 . . . . 0.0 110.975 177.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1093 ' ' VAL . . . . . 0.501 HG22 ' HG2' ' A' 1073 ' ' LYS . 58.5 t -127.34 125.64 66.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.575 179.259 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1094 ' ' ILE . . . . . 0.643 HG12 HD11 ' A' 1109 ' ' ILE . 18.4 mt -119.08 136.34 56.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.151 0.5 . . . . 0.0 112.115 -171.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1095 ' ' ILE . . . . . 0.535 HD12 ' HG2' ' A' 1071 ' ' ARG . 16.6 mm -84.81 116.6 28.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 170.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 27.5 t -77.97 110.04 13.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1097 ' ' THR . . . . . 0.567 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 17.1 p -100.3 -16.27 17.75 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.312 -177.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -167.43 -175.37 37.32 Favored Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 120.362 -0.923 . . . . 0.0 112.872 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1099 ' ' GLU . . . . . 0.409 ' HG3' ' CD1' ' A' 1105 ' ' TRP . 16.7 tt0 -143.48 144.63 32.07 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -122.91 -50.61 1.93 Allowed 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 176.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1101 ' ' ASP . . . . . 0.745 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 23.7 t70 -117.5 168.69 10.15 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 176.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -59.34 -41.01 88.2 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 121.327 0.584 . . . . 0.0 109.967 177.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -111.06 16.04 21.34 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.649 -173.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1104 ' ' TRP . . . . . 0.745 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 75.9 m95 -140.36 104.5 4.8 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.284 0.564 . . . . 0.0 110.55 177.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1105 ' ' TRP . . . . . 0.409 ' CD1' ' HG3' ' A' 1099 ' ' GLU . 45.2 m0 -107.56 166.74 10.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.517 -177.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 53.9 mt -116.36 137.5 49.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.834 -174.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1107 ' ' GLY . . . . . 0.567 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -176.72 -166.62 34.08 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 119.418 -1.372 . . . . 0.0 113.494 177.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1108 ' ' HIS . . . . . 0.582 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 16.3 p-80 -143.02 149.49 38.34 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1109 ' ' ILE . . . . . 0.643 HD11 HG12 ' A' 1094 ' ' ILE . 50.9 mm -58.01 138.38 19.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 123.202 0.314 . . . . 0.0 110.305 -179.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1110 ' ' GLU . . . . . 0.507 ' HG3' HD13 ' A' 1095 ' ' ILE . 16.1 tt0 -48.2 -56.48 7.82 Favored 'General case' 0 N--CA 1.463 0.201 0 O-C-N 123.619 0.575 . . . . 0.0 111.695 -171.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -102.14 25.68 26.93 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.354 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1112 ' ' GLN . . . . . 0.443 ' HB3' ' HB ' ' A' 1109 ' ' ILE . 0.4 OUTLIER -147.72 81.59 8.39 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.096 0.474 . . . . 0.0 110.049 -178.828 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -70.62 -7.62 21.74 Favored 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 123.519 2.812 . . . . 0.0 112.967 -177.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -87.26 -19.06 28.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.355 0.598 . . . . 0.0 109.878 178.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1115 ' ' ARG . . . . . 0.404 ' O ' ' HA ' ' A' 1108 ' ' HIS . 97.2 mtt180 -93.06 95.15 9.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.024 174.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1116 ' ' LYS . . . . . 0.582 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 0.0 OUTLIER -141.86 145.46 34.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.129 0.49 . . . . 0.0 112.063 -179.338 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1117 ' ' GLY . . . . . 0.412 ' HA3' ' O ' ' A' 1085 ' ' GLU . . . 168.41 -161.99 35.74 Favored Glycine 0 N--CA 1.446 -0.641 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.483 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1118 ' ' VAL . . . . . . . . . . . . . 2.6 t -99.34 129.21 50.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1119 ' ' PHE . . . . . 0.626 ' HB2' ' HE2' ' A' 1088 ' ' PHE . 22.9 p90 -126.09 146.79 57.02 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.987 -177.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1120 ' ' PRO . . . . . 0.506 ' HG3' ' SG ' ' A' 1078 ' ' CYS . 72.3 Cg_endo -78.67 128.29 8.51 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.52 2.146 . . . . 0.0 112.342 -179.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1121 ' ' VAL . . . . . 0.577 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 57.7 t -66.5 -16.69 21.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.215 179.118 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1122 ' ' SER . . . . . 0.435 ' HB2' ' CD1' ' A' 1123 ' ' PHE . 0.0 OUTLIER -63.36 -27.37 69.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.757 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1123 ' ' PHE . . . . . 0.802 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.5 OUTLIER -109.77 3.9 21.27 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.289 0.566 . . . . 0.0 110.72 -174.717 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.597 HG11 ' HA ' ' A' 1074 ' ' THR . 12.4 m -129.12 169.41 20.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.505 -179.449 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 72.2 t60 -132.57 135.42 45.92 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1126 ' ' ILE . . . . . 0.549 ' HA ' HG13 ' A' 1072 ' ' VAL . 1.9 mp -76.66 134.57 28.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.427 0.632 . . . . 0.0 111.988 -173.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1127 ' ' LEU . . . . . 0.586 HD13 ' HB2' ' A' 1073 ' ' LYS . 33.9 mt -126.28 86.92 2.59 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.893 -1.049 . . . . 0.0 109.647 178.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 20.1 m -85.95 0.95 51.91 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.951 0.881 . . . . 0.0 109.657 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 C--O 1.249 1.03 0 CA-C-N 114.086 -1.415 . . . . 0.0 108.769 175.903 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 57.8 m . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 6.8 mt -67.18 125.94 25.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.128 0.489 . . . . 0.0 110.061 174.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1580 ' ' ILE . . . . . 0.434 HG21 ' OH ' ' A' 1076 ' ' TYR . 1.6 mp -76.68 132.76 32.33 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.198 175.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 6.2 t 44.55 -138.59 0.39 Allowed 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 121.497 0.665 . . . . 0.0 112.717 172.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -111.87 152.05 28.4 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.822 171.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1583 ' ' MET . . . . . 0.456 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 3.6 ttm -50.83 133.43 28.51 Favored Pre-proline 0 C--N 1.328 -0.339 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 -173.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B 1584 ' ' PRO . . . . . 0.73 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 95.2 Cg_endo -83.49 -176.04 2.58 Favored 'Trans proline' 0 N--CA 1.449 -1.134 0 C-N-CA 123.295 2.664 . . . . 0.0 110.413 175.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 7.5 m -105.71 128.25 53.56 Favored 'General case' 0 C--N 1.308 -1.198 0 C-N-CA 120.692 -0.403 . . . . 0.0 109.935 -177.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1586 ' ' LYS . . . . . 0.466 ' C ' ' H ' ' B' 1588 ' ' SER . 4.0 tmmt? -63.43 97.12 0.13 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 170.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 13.3 m -72.42 21.0 0.07 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.286 -0.87 . . . . 0.0 113.133 -166.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1588 ' ' SER . . . . . 0.466 ' H ' ' C ' ' B' 1586 ' ' LYS . 17.3 m 65.08 125.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 123.854 0.721 . . . . 0.0 111.046 -178.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B 1589 ' ' ARG . . . . . 0.423 ' HB2' ' CE2' ' A' 1104 ' ' TRP . 16.4 ttt180 -73.31 105.54 4.75 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.558 0.694 . . . . 0.0 109.442 176.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B 1590 ' ' LYS . . . . . . . . . . . . . 33.0 mttm -76.53 -6.96 54.11 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.327 -1.306 . . . . 0.0 111.665 -165.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.831 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.731 177.403 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 1070 ' ' ARG . . . . . 0.538 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 26.9 ttm180 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1071 ' ' ARG . . . . . 0.446 ' HG2' HD11 ' A' 1095 ' ' ILE . 65.8 mtt85 -113.29 150.0 33.11 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.935 0.398 . . . . 0.0 111.303 178.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1072 ' ' VAL . . . . . 0.572 HG11 ' HA ' ' A' 1126 ' ' ILE . 29.1 m -135.08 136.85 51.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.272 169.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1073 ' ' LYS . . . . . 0.607 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.1 OUTLIER -105.25 134.85 47.68 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 178.138 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1074 ' ' THR . . . . . 0.564 ' HA ' HG11 ' A' 1124 ' ' VAL . 70.5 p -75.51 118.5 18.44 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 121.231 0.539 . . . . 0.0 110.266 -177.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1075 ' ' ILE . . . . . 0.621 HG13 ' CD2' ' A' 1076 ' ' TYR . 21.4 pt -98.14 -7.73 9.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.967 0.889 . . . . 0.0 109.291 179.414 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1076 ' ' TYR . . . . . 0.764 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 96.6 m-85 -136.93 176.41 8.73 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 113.721 -1.581 . . . . 0.0 109.278 176.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -115.26 131.19 57.01 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 173.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1078 ' ' CYS . . . . . 0.761 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 36.7 t -139.12 147.92 42.57 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.794 -175.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1079 ' ' GLN . . . . . 0.507 ' HA ' HG21 ' A' 1087 ' ' THR . 83.6 mt-30 -119.74 155.75 31.87 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.469 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1080 ' ' ALA . . . . . . . . . . . . . . . -59.97 128.57 37.53 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 114.588 -1.187 . . . . 0.0 112.238 -173.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 36.8 t70 -77.51 -23.59 50.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.013 177.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -150.58 -174.96 4.92 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.777 -1.101 . . . . 0.0 108.976 -173.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -69.09 -38.98 79.28 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -175.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -94.32 17.23 13.21 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -171.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -89.54 -173.7 4.06 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 176.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1086 ' ' LEU . . . . . 0.457 HD13 ' CA ' ' A' 1116 ' ' LYS . 8.0 tt -132.56 118.41 19.19 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.072 0.463 . . . . 0.0 110.702 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1087 ' ' THR . . . . . 0.507 HG21 ' HA ' ' A' 1079 ' ' GLN . 96.7 m -81.62 136.75 35.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.453 177.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1088 ' ' PHE . . . . . 0.595 ' HE2' ' HB2' ' A' 1119 ' ' PHE . 20.8 p90 -147.67 154.75 41.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.617 0.246 . . . . 0.0 110.953 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1089 ' ' ILE . . . . . 0.551 HD11 ' H ' ' A' 1089 ' ' ILE . 0.2 OUTLIER -121.64 154.49 25.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 179.644 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1090 ' ' GLU . . . . . 0.486 ' HG3' HG12 ' B' 1579 ' ' ILE . 2.2 tm-20 -54.96 124.64 17.37 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.348 0.405 . . . . 0.0 110.816 -177.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 108.55 -1.06 32.46 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.727 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1092 ' ' GLU . . . . . 0.503 ' HG3' HD13 ' A' 1109 ' ' ILE . 5.5 tp10 -93.17 161.4 14.44 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.938 0.399 . . . . 0.0 110.07 -178.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 69.6 t -127.1 126.44 68.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.819 -175.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1094 ' ' ILE . . . . . 0.527 HG12 HD11 ' A' 1109 ' ' ILE . 13.8 mt -116.51 131.39 69.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.001 0.429 . . . . 0.0 110.831 -177.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1095 ' ' ILE . . . . . 0.446 HD11 ' HG2' ' A' 1071 ' ' ARG . 43.9 mm -89.4 113.11 25.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 174.077 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1096 ' ' VAL . . . . . 0.538 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 42.9 t -77.14 110.95 13.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.085 0.469 . . . . 0.0 110.612 -177.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1097 ' ' THR . . . . . 0.464 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 11.1 p -101.59 -13.28 17.91 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.124 -177.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -166.7 -176.25 37.59 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.529 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -146.05 148.74 32.99 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 -179.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -130.03 -45.16 1.15 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.458 0.647 . . . . 0.0 109.421 175.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1101 ' ' ASP . . . . . 0.564 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 13.4 t70 -114.59 177.18 4.74 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 176.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -74.53 -36.66 63.15 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 172.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1103 ' ' GLU . . . . . 0.589 ' OE1' ' HB2' ' B' 1587 ' ' SER . 21.9 tt0 -102.96 2.39 35.0 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 114.364 -1.289 . . . . 0.0 110.601 -174.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1104 ' ' TRP . . . . . 0.564 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 74.3 m95 -136.15 108.72 7.44 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.446 0.641 . . . . 0.0 110.9 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 46.9 m0 -109.7 167.99 9.74 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.364 -178.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1106 ' ' ILE . . . . . 0.608 HG12 HG22 ' A' 1118 ' ' VAL . 57.2 mt -116.09 136.16 53.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.608 -177.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1107 ' ' GLY . . . . . 0.464 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -172.64 -162.67 25.16 Favored Glycine 0 N--CA 1.436 -1.36 0 C-N-CA 119.776 -1.202 . . . . 0.0 112.426 178.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 26.8 p-80 -147.93 143.22 27.19 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -177.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1109 ' ' ILE . . . . . 0.568 HG22 ' HG2' ' A' 1112 ' ' GLN . 30.1 mm -58.62 136.67 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 177.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -71.14 -39.92 71.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.038 -175.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -71.15 -41.61 59.79 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.23 178.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1112 ' ' GLN . . . . . 0.568 ' HG2' HG22 ' A' 1109 ' ' ILE . 4.3 pt20 -125.37 80.55 65.19 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-O 122.219 1.009 . . . . 0.0 109.885 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1113 ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' 1112 ' ' GLN . 24.1 Cg_endo -61.37 -13.28 28.02 Favored 'Trans proline' 0 N--CA 1.472 0.234 0 C-N-CA 123.955 3.104 . . . . 0.0 114.115 -171.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -80.95 -11.02 59.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.98 0.419 . . . . 0.0 110.238 -178.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 65.2 mtt-85 -90.31 98.22 11.65 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 169.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1116 ' ' LYS . . . . . 0.606 ' H ' ' HD3' ' A' 1116 ' ' LYS . 0.0 OUTLIER -129.85 159.5 36.39 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.081 -179.472 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 156.61 -162.97 31.9 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1118 ' ' VAL . . . . . 0.608 HG22 HG12 ' A' 1106 ' ' ILE . 4.7 t -101.21 130.65 50.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.965 0.412 . . . . 0.0 110.613 -179.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1119 ' ' PHE . . . . . 0.595 ' HB2' ' HE2' ' A' 1088 ' ' PHE . 28.8 p90 -126.88 146.1 56.17 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.192 -176.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1120 ' ' PRO . . . . . 0.554 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 42.9 Cg_endo -75.06 120.36 6.02 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 122.668 2.245 . . . . 0.0 112.601 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1121 ' ' VAL . . . . . 0.538 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 81.3 t -61.79 -18.22 18.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.364 177.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 8.3 t -62.28 -25.17 67.7 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.572 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1123 ' ' PHE . . . . . 0.761 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.5 OUTLIER -109.09 1.3 20.36 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.209 0.528 . . . . 0.0 111.123 -174.758 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.564 HG11 ' HA ' ' A' 1074 ' ' THR . 16.2 m -128.17 171.51 16.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.044 -177.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 33.3 t60 -133.85 131.86 39.7 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.173 0.511 . . . . 0.0 110.345 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1126 ' ' ILE . . . . . 0.572 ' HA ' HG11 ' A' 1072 ' ' VAL . 1.8 mp -68.71 135.61 28.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.847 -177.183 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1127 ' ' LEU . . . . . 0.607 HD11 ' HB2' ' A' 1073 ' ' LYS . 32.1 mt -114.55 52.04 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.461 -177.073 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 32.5 p -92.01 5.62 49.46 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.736 0.779 . . . . 0.0 110.098 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 22.3 t70 . . . . . 0 C--O 1.25 1.111 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.361 -179.59 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 73.3 m . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B 1579 ' ' ILE . . . . . 0.486 HG12 ' HG3' ' A' 1090 ' ' GLU . 10.2 mt -66.67 122.59 17.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-O 121.013 0.435 . . . . 0.0 110.594 179.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B 1580 ' ' ILE . . . . . 0.42 HD11 ' HB ' ' A' 1075 ' ' ILE . 1.6 mp -76.06 126.36 36.69 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.16 174.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 49.5 m 51.07 -143.51 0.63 Allowed 'General case' 0 C--N 1.323 -0.575 0 O-C-N 123.589 0.555 . . . . 0.0 112.188 172.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -108.78 160.7 15.76 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 168.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1583 ' ' MET . . . . . 0.59 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 2.2 ttm -52.07 137.65 36.99 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -172.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B 1584 ' ' PRO . . . . . 0.764 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 60.4 Cg_endo -87.9 -176.55 1.7 Allowed 'Trans proline' 0 N--CA 1.451 -1.001 0 C-N-CA 123.481 2.787 . . . . 0.0 110.57 176.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 7.2 m -105.22 134.0 49.06 Favored 'General case' 0 C--N 1.312 -1.032 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.744 -175.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1586 ' ' LYS . . . . . 0.442 ' C ' ' H ' ' B' 1588 ' ' SER . 20.9 ttmt -68.37 93.05 0.45 Allowed 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 167.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B 1587 ' ' SER . . . . . 0.589 ' HB2' ' OE1' ' A' 1103 ' ' GLU . 2.9 m -77.19 24.89 0.17 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.978 -167.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B 1588 ' ' SER . . . . . 0.442 ' H ' ' C ' ' B' 1586 ' ' LYS . 46.0 m 65.2 134.36 0.02 OUTLIER 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.724 0.773 . . . . 0.0 111.355 -178.281 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B 1589 ' ' ARG . . . . . 0.478 ' HA ' ' CD1' ' A' 1104 ' ' TRP . 6.9 ttt180 -76.55 101.05 5.51 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.661 0.744 . . . . 0.0 109.189 176.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B 1590 ' ' LYS . . . . . . . . . . . . . 14.9 mtmm -71.79 -25.31 61.96 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.325 -1.307 . . . . 0.0 111.742 -169.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.563 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.706 179.027 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 1070 ' ' ARG . . . . . 0.509 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 44.1 ttm180 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1071 ' ' ARG . . . . . 0.536 ' HD2' HD23 ' A' 1127 ' ' LEU . 31.1 ttm180 -123.57 146.95 47.75 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 120.154 -0.618 . . . . 0.0 109.729 -178.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1072 ' ' VAL . . . . . 0.577 HG11 ' HA ' ' A' 1126 ' ' ILE . 27.0 m -132.64 145.47 34.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 173.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1073 ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' 1074 ' ' THR . 0.4 OUTLIER -111.93 131.62 55.26 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 177.402 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1074 ' ' THR . . . . . 0.574 ' HA ' HG12 ' A' 1124 ' ' VAL . 49.4 p -74.86 123.87 25.83 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.169 0.509 . . . . 0.0 110.584 -175.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1075 ' ' ILE . . . . . 0.654 HG13 ' CD2' ' A' 1076 ' ' TYR . 23.9 pt -102.02 -3.27 9.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.396 0.617 . . . . 0.0 110.776 -178.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1076 ' ' TYR . . . . . 0.769 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 95.5 m-85 -139.33 173.97 11.0 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.169 178.292 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -106.27 105.1 14.97 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 177.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1078 ' ' CYS . . . . . 0.644 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 44.5 t -117.74 152.44 35.26 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.017 0.437 . . . . 0.0 110.644 -174.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1079 ' ' GLN . . . . . 0.561 ' HA ' HG21 ' A' 1087 ' ' THR . 29.6 tt0 -132.18 148.86 52.49 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.518 178.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1080 ' ' ALA . . . . . 0.448 ' HB3' ' HB2' ' A' 1085 ' ' GLU . . . -68.01 136.15 53.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.795 -179.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.77 -42.87 11.66 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 177.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -109.46 -174.53 2.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.764 176.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 18.4 t70 -74.63 -39.37 62.15 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -172.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -87.05 14.26 7.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.986 0.422 . . . . 0.0 111.769 -170.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1085 ' ' GLU . . . . . 0.448 ' HB2' ' HB3' ' A' 1080 ' ' ALA . 93.1 mt-10 -105.0 164.17 11.99 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.658 0.266 . . . . 0.0 110.489 -178.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1086 ' ' LEU . . . . . 0.546 ' HB3' ' HB3' ' A' 1119 ' ' PHE . 12.7 tp -101.26 130.62 47.43 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.016 0.436 . . . . 0.0 111.951 -172.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1087 ' ' THR . . . . . 0.561 HG21 ' HA ' ' A' 1079 ' ' GLN . 60.2 m -98.71 116.92 32.01 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 170.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1088 ' ' PHE . . . . . 0.52 ' CE1' ' HD2' ' A' 1120 ' ' PRO . 25.6 p90 -139.56 136.79 34.81 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.964 0.412 . . . . 0.0 110.609 -175.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1089 ' ' ILE . . . . . 0.523 HD11 ' HB2' ' A' 1092 ' ' GLU . 1.8 pp -101.43 160.53 3.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.35 -178.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -60.5 127.36 31.32 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -177.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 105.18 -1.52 40.62 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.613 -0.803 . . . . 0.0 111.9 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1092 ' ' GLU . . . . . 0.523 ' HB2' HD11 ' A' 1089 ' ' ILE . 3.9 tp10 -85.02 160.89 19.93 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.118 0.485 . . . . 0.0 110.174 179.029 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 96.6 t -128.02 120.25 53.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.326 -175.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1094 ' ' ILE . . . . . 0.527 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 10.0 mt -113.84 133.58 59.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.968 0.413 . . . . 0.0 110.956 -176.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 47.8 mm -92.5 116.62 34.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 173.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1096 ' ' VAL . . . . . 0.509 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 48.1 t -79.98 114.66 21.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.968 0.413 . . . . 0.0 110.508 -176.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1097 ' ' THR . . . . . 0.512 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 7.8 p -102.47 -19.77 14.78 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.275 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -158.76 -174.77 28.9 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.492 -0.861 . . . . 0.0 113.034 -178.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1099 ' ' GLU . . . . . 0.477 ' HG3' ' CD1' ' A' 1105 ' ' TRP . 15.2 tt0 -153.71 131.76 11.78 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 -177.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -117.81 -34.63 4.14 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.129 0.49 . . . . 0.0 109.927 -177.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1101 ' ' ASP . . . . . 0.571 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 23.8 t70 -134.3 171.47 14.22 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 174.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1102 ' ' GLN . . . . . 0.591 ' HG2' ' N ' ' A' 1103 ' ' GLU . 0.0 OUTLIER -65.8 -34.66 78.68 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.489 0.661 . . . . 0.0 109.726 -179.912 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1103 ' ' GLU . . . . . 0.591 ' N ' ' HG2' ' A' 1102 ' ' GLN . 31.3 tt0 -109.96 9.77 24.35 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.142 -175.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1104 ' ' TRP . . . . . 0.571 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 80.2 m95 -137.89 104.05 5.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.056 0.455 . . . . 0.0 110.713 179.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1105 ' ' TRP . . . . . 0.477 ' CD1' ' HG3' ' A' 1099 ' ' GLU . 44.8 m0 -108.13 164.13 12.57 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.491 -177.256 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1106 ' ' ILE . . . . . 0.686 HG12 HG22 ' A' 1118 ' ' VAL . 49.4 mt -116.45 136.02 54.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.042 -174.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1107 ' ' GLY . . . . . 0.512 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -177.34 -161.79 26.48 Favored Glycine 0 N--CA 1.437 -1.234 0 C-N-CA 119.961 -1.114 . . . . 0.0 112.901 177.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 12.4 p-80 -145.56 150.61 36.71 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -178.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1109 ' ' ILE . . . . . 0.805 ' HB ' ' HB2' ' A' 1112 ' ' GLN . 44.2 mm -66.69 134.06 30.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.681 -178.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -70.64 114.29 8.59 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 98.1 -9.37 63.38 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.431 -175.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1112 ' ' GLN . . . . . 0.805 ' HB2' ' HB ' ' A' 1109 ' ' ILE . 39.2 mt-30 -133.61 69.09 76.56 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 177.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -71.42 -12.83 30.04 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 123.24 2.627 . . . . 0.0 112.396 -173.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1114 ' ' GLU . . . . . 0.459 ' HG3' ' HG3' ' A' 1115 ' ' ARG . 13.3 pt-20 -81.54 -16.27 52.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.301 0.572 . . . . 0.0 110.199 177.364 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1115 ' ' ARG . . . . . 0.459 ' HG3' ' HG3' ' A' 1114 ' ' GLU . 94.7 mtt180 -105.51 90.62 3.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.053 -179.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1116 ' ' LYS . . . . . 0.474 ' H ' ' HD3' ' A' 1116 ' ' LYS . 0.0 OUTLIER -125.36 161.26 27.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.451 -178.805 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 161.36 -171.36 37.35 Favored Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 120.589 -0.815 . . . . 0.0 111.923 178.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1118 ' ' VAL . . . . . 0.686 HG22 HG12 ' A' 1106 ' ' ILE . 21.6 t -98.34 121.32 48.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.021 0.438 . . . . 0.0 110.311 178.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1119 ' ' PHE . . . . . 0.546 ' HB3' ' HB3' ' A' 1086 ' ' LEU . 19.2 p90 -114.86 143.22 29.65 Favored Pre-proline 0 C--N 1.319 -0.758 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.695 -176.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1120 ' ' PRO . . . . . 0.52 ' HD2' ' CE1' ' A' 1088 ' ' PHE . 56.3 Cg_endo -74.54 127.19 10.81 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.699 2.266 . . . . 0.0 112.264 176.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1121 ' ' VAL . . . . . 0.548 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 70.8 t -66.47 -16.32 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.119 178.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -25.64 67.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.166 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1123 ' ' PHE . . . . . 0.644 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.6 OUTLIER -110.25 1.72 18.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.052 0.453 . . . . 0.0 111.007 -174.776 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.574 HG12 ' HA ' ' A' 1074 ' ' THR . 16.1 m -125.57 174.97 8.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.365 179.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 20.2 t60 -137.6 135.54 36.71 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1126 ' ' ILE . . . . . 0.577 ' HA ' HG11 ' A' 1072 ' ' VAL . 1.8 mp -67.58 125.3 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.787 -175.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1127 ' ' LEU . . . . . 0.536 HD23 ' HD2' ' A' 1071 ' ' ARG . 6.2 tp -104.77 -62.31 1.35 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.452 -175.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 70.9 m 53.38 65.75 1.43 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.551 -178.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 1129 ' ' ASP . . . . . 0.461 ' OD2' ' HG ' ' A' 1127 ' ' LEU . 45.6 m-20 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.842 -0.599 . . . . 0.0 109.988 175.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 64.2 m . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 16.7 mt -66.16 122.01 16.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.045 0.45 . . . . 0.0 110.175 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1580 ' ' ILE . . . . . 0.483 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.7 mp -75.58 113.52 14.54 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 174.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 48.7 m 56.66 -154.31 0.34 Allowed 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 170.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -91.22 158.16 16.76 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 171.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1583 ' ' MET . . . . . 0.68 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 1.5 ttm -60.19 141.0 90.97 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -173.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B 1584 ' ' PRO . . . . . 0.769 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 89.1 Cg_endo -86.73 -175.94 1.82 Allowed 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 123.559 2.839 . . . . 0.0 110.955 175.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 23.2 m -111.71 132.47 54.6 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 -176.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1586 ' ' LYS . . . . . 0.429 ' C ' ' H ' ' B' 1588 ' ' SER . 37.1 ttmt -61.39 102.03 0.21 Allowed 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 170.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 8.3 t -74.51 7.89 2.65 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.214 -171.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1588 ' ' SER . . . . . 0.429 ' H ' ' C ' ' B' 1586 ' ' LYS . 51.0 m 65.77 150.11 0.05 OUTLIER 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 121.923 0.868 . . . . 0.0 110.941 -176.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B 1589 ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -91.93 112.93 25.06 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.82 -175.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B 1590 ' ' LYS . . . . . 0.605 ' H ' ' HD2' ' B' 1590 ' ' LYS . 0.1 OUTLIER -60.79 -35.82 77.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.305 -172.078 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.391 0 CA-C-O 121.3 0.571 . . . . 0.0 110.718 177.229 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 1070 ' ' ARG . . . . . 0.736 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 35.1 ttm-85 . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 17.8 ttt180 -117.91 128.91 55.27 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.043 0.449 . . . . 0.0 111.016 -176.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1072 ' ' VAL . . . . . 0.593 HG11 ' HA ' ' A' 1126 ' ' ILE . 15.1 m -130.17 157.99 42.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.725 177.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1073 ' ' LYS . . . . . 0.546 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.3 OUTLIER -123.13 136.12 54.64 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1074 ' ' THR . . . . . 0.564 ' HA ' HG11 ' A' 1124 ' ' VAL . 60.3 p -74.65 117.59 16.65 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 121.332 0.587 . . . . 0.0 110.243 -178.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1075 ' ' ILE . . . . . 0.607 HG13 ' CD2' ' A' 1076 ' ' TYR . 16.0 pt -98.46 0.43 10.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 121.595 0.712 . . . . 0.0 110.137 -178.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1076 ' ' TYR . . . . . 0.781 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 87.8 m-85 -143.15 172.89 12.12 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.424 -1.262 . . . . 0.0 110.916 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 5.3 t70 -104.61 127.57 52.39 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 174.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1078 ' ' CYS . . . . . 0.655 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 41.1 t -140.15 147.71 40.57 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-O 120.965 0.412 . . . . 0.0 110.636 -173.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1079 ' ' GLN . . . . . 0.494 ' HA ' HG23 ' A' 1087 ' ' THR . 29.8 tt0 -133.44 148.6 51.77 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.923 -179.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1080 ' ' ALA . . . . . 0.506 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -60.27 133.82 56.46 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.724 -1.125 . . . . 0.0 112.156 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1081 ' ' ASP . . . . . 0.838 ' HB2' ' HE3' ' B' 1586 ' ' LYS . 21.0 t70 -85.63 -48.65 8.68 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 173.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -102.88 -177.41 3.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.331 -0.849 . . . . 0.0 108.905 173.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 17.1 t70 -72.78 -36.25 67.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 118.018 0.372 . . . . 0.0 111.022 -175.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 37.9 t70 -92.99 53.29 1.96 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.61 0.719 . . . . 0.0 110.102 -176.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1085 ' ' GLU . . . . . 0.506 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 45.5 mt-10 -133.35 153.6 51.45 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.383 174.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1086 ' ' LEU . . . . . 0.414 HD22 ' HB3' ' A' 1119 ' ' PHE . 15.6 tp -91.39 124.07 35.3 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.813 0.339 . . . . 0.0 111.235 -176.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1087 ' ' THR . . . . . 0.494 HG23 ' HA ' ' A' 1079 ' ' GLN . 89.7 m -94.53 116.77 29.17 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 170.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1088 ' ' PHE . . . . . 0.701 ' HE1' ' HD2' ' A' 1120 ' ' PRO . 32.0 p90 -136.83 144.25 43.55 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.383 -175.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1089 ' ' ILE . . . . . 0.662 HD11 ' H ' ' A' 1089 ' ' ILE . 0.2 OUTLIER -109.89 156.59 10.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.713 -175.478 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1090 ' ' GLU . . . . . 0.583 ' HG3' HG12 ' B' 1579 ' ' ILE . 2.9 tm-20 -59.85 124.57 20.59 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.39 -176.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 108.74 -1.34 32.08 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.665 -179.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1092 ' ' GLU . . . . . 0.432 ' HG3' HD12 ' A' 1109 ' ' ILE . 4.2 tp10 -91.55 161.51 14.92 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -179.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 41.9 t -126.8 139.5 51.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -177.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1094 ' ' ILE . . . . . 0.45 HG12 HD13 ' A' 1109 ' ' ILE . 18.0 mt -126.83 135.82 62.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.024 0.44 . . . . 0.0 110.972 -177.104 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1095 ' ' ILE . . . . . 0.499 HG12 ' HG2' ' A' 1110 ' ' GLU . 39.8 mm -94.37 111.99 26.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 172.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1096 ' ' VAL . . . . . 0.736 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 41.1 t -76.6 115.64 18.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.359 -178.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 17.8 p -99.69 -21.04 15.99 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.807 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -164.0 -176.3 35.73 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.581 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -136.11 138.18 41.78 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1100 ' ' GLU . . . . . 0.563 ' OE1' ' HD2' ' B' 1589 ' ' ARG . 34.0 tt0 -114.95 -30.32 6.43 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.749 0.785 . . . . 0.0 109.395 -178.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1101 ' ' ASP . . . . . 0.765 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 27.8 t70 -145.9 179.67 7.31 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.776 -1.102 . . . . 0.0 108.728 177.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -66.08 -47.37 74.48 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.183 0.516 . . . . 0.0 109.98 176.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -106.52 16.93 24.02 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.581 -174.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1104 ' ' TRP . . . . . 0.765 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 68.4 m95 -141.15 107.63 5.3 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.599 179.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 45.2 m0 -111.49 166.17 11.37 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.753 -176.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1106 ' ' ILE . . . . . 0.496 HD13 ' HB2' ' A' 1100 ' ' GLU . 23.1 mt -116.6 137.02 51.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.105 -175.177 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -178.43 -159.73 23.44 Favored Glycine 0 N--CA 1.439 -1.119 0 C-N-CA 119.876 -1.154 . . . . 0.0 112.928 176.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -145.55 150.68 36.86 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 -177.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1109 ' ' ILE . . . . . 0.633 ' HB ' ' HB3' ' A' 1112 ' ' GLN . 33.1 mm -61.98 137.69 23.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.23 -177.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1110 ' ' GLU . . . . . 0.499 ' HG2' HG12 ' A' 1095 ' ' ILE . 0.5 OUTLIER -62.87 104.25 0.53 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.536 179.531 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 100.24 -7.69 58.57 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.986 -0.626 . . . . 0.0 111.721 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1112 ' ' GLN . . . . . 0.633 ' HB3' ' HB ' ' A' 1109 ' ' ILE . 6.3 tp60 -134.9 78.8 53.41 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.22 -22.59 66.86 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.741 2.294 . . . . 0.0 112.013 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -63.99 -33.32 75.48 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.621 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -88.79 90.09 8.26 Favored 'General case' 0 N--CA 1.439 -0.987 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1116 ' ' LYS . . . . . 0.51 ' H ' ' HD3' ' A' 1116 ' ' LYS . 0.2 OUTLIER -131.35 155.96 46.34 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.109 -178.46 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 160.42 -160.85 32.15 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.903 -0.665 . . . . 0.0 111.723 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1118 ' ' VAL . . . . . . . . . . . . . 6.4 t -104.44 120.42 54.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.874 0.369 . . . . 0.0 110.178 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1119 ' ' PHE . . . . . 0.582 ' HZ ' HG23 ' A' 1096 ' ' VAL . 22.1 p90 -113.28 138.29 22.35 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 115.925 -0.579 . . . . 0.0 112.009 -177.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1120 ' ' PRO . . . . . 0.701 ' HD2' ' HE1' ' A' 1088 ' ' PHE . 46.6 Cg_endo -71.25 128.01 14.14 Favored 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 122.979 2.453 . . . . 0.0 112.34 175.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1121 ' ' VAL . . . . . 0.554 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 48.8 t -67.79 -15.14 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.122 178.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.01 -24.92 68.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.971 178.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1123 ' ' PHE . . . . . 0.655 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.6 OUTLIER -111.96 3.49 17.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.114 0.483 . . . . 0.0 110.879 -174.73 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.564 HG11 ' HA ' ' A' 1074 ' ' THR . 16.0 m -130.69 166.1 29.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.72 -179.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 54.9 t60 -133.02 134.69 44.77 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1126 ' ' ILE . . . . . 0.593 ' HA ' HG11 ' A' 1072 ' ' VAL . 2.5 mp -77.65 125.55 37.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.991 -175.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1127 ' ' LEU . . . . . 0.546 HD11 ' HB2' ' A' 1073 ' ' LYS . 54.7 mt -113.44 86.19 2.34 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.43 0.634 . . . . 0.0 110.74 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 21.2 t -104.42 13.35 32.08 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.176 175.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 11.5 p-10 . . . . . 0 C--O 1.243 0.734 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.768 -177.416 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 62.7 m . . . . . 0 N--CA 1.477 0.918 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B 1579 ' ' ILE . . . . . 0.583 HG12 ' HG3' ' A' 1090 ' ' GLU . 20.1 mt -67.29 127.53 29.01 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.351 0 CA-C-O 121.224 0.535 . . . . 0.0 110.19 175.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1580 ' ' ILE . . . . . 0.415 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.6 mp -75.7 122.03 28.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.686 176.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1581 ' ' SER . . . . . 0.489 ' HB2' ' HH ' ' A' 1076 ' ' TYR . 49.0 m 54.95 -149.66 0.44 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.906 0.384 . . . . 0.0 111.624 173.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -94.55 163.34 13.43 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 168.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1583 ' ' MET . . . . . 0.611 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 4.9 ttm -63.57 138.58 97.41 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -175.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1584 ' ' PRO . . . . . 0.781 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 78.2 Cg_endo -84.28 -174.93 1.98 Allowed 'Trans proline' 0 N--CA 1.449 -1.123 0 C-N-CA 123.312 2.675 . . . . 0.0 110.713 175.308 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 25.9 m -120.9 137.54 54.54 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 -177.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1586 ' ' LYS . . . . . 0.838 ' HE3' ' HB2' ' A' 1081 ' ' ASP . 19.9 ttmm -59.08 103.9 0.2 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 174.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 25.7 m -72.62 16.29 0.15 Allowed 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -170.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B 1588 ' ' SER . . . . . 0.437 ' H ' ' C ' ' B' 1586 ' ' LYS . 13.4 m 64.4 115.23 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.742 0.782 . . . . 0.0 111.293 -178.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1589 ' ' ARG . . . . . 0.563 ' HD2' ' OE1' ' A' 1100 ' ' GLU . 13.0 ttp180 -64.62 113.65 3.88 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.163 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B 1590 ' ' LYS . . . . . 0.594 ' H ' ' HD2' ' B' 1590 ' ' LYS . 0.1 OUTLIER -68.15 -15.43 63.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.21 0.529 . . . . 0.0 110.4 -175.746 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.22 177.294 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 121.068 0.461 . . . . 0.0 109.795 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -103.96 137.74 41.51 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.199 -173.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1072 ' ' VAL . . . . . 0.591 HG11 ' HA ' ' A' 1126 ' ' ILE . 9.6 m -132.41 163.23 38.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.95 177.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1073 ' ' LYS . . . . . 0.506 ' HD2' ' N ' ' A' 1074 ' ' THR . 0.4 OUTLIER -131.07 140.55 50.06 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 179.054 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1074 ' ' THR . . . . . 0.601 ' HA ' HG12 ' A' 1124 ' ' VAL . 46.2 p -78.72 121.3 24.55 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.267 0.556 . . . . 0.0 110.877 -177.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1075 ' ' ILE . . . . . 0.515 HG13 ' CD2' ' A' 1076 ' ' TYR . 14.2 pt -98.95 -8.19 9.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.588 0.709 . . . . 0.0 110.141 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1076 ' ' TYR . . . . . 0.8 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 96.7 m-85 -137.08 177.34 7.94 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.727 -1.124 . . . . 0.0 110.199 176.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -113.75 130.21 56.47 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.405 173.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1078 ' ' CYS . . . . . 0.671 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 48.6 t -134.99 151.66 51.03 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.181 -175.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1079 ' ' GLN . . . . . 0.535 ' HA ' HG22 ' A' 1087 ' ' THR . 52.8 tt0 -125.98 144.15 50.81 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.263 0.554 . . . . 0.0 110.86 177.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1080 ' ' ALA . . . . . 0.522 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -75.55 149.38 38.36 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.632 -1.167 . . . . 0.0 112.112 -177.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1081 ' ' ASP . . . . . 0.53 ' CG ' ' HZ3' ' B' 1586 ' ' LYS . 66.7 m-20 -96.79 -46.9 6.08 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 171.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 52.5 t30 -104.56 153.96 20.52 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 113.701 -1.591 . . . . 0.0 110.208 -175.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -57.94 -27.55 63.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.919 -1.037 . . . . 0.0 113.329 -167.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 1.1 p30 -100.12 12.15 37.64 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -175.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1085 ' ' GLU . . . . . 0.734 ' HG2' HH11 ' B' 1589 ' ' ARG . 42.8 mt-10 -96.18 163.53 13.06 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 176.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1086 ' ' LEU . . . . . 0.457 ' HB3' ' HB3' ' A' 1119 ' ' PHE . 12.3 tp -103.7 123.26 46.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.884 0.373 . . . . 0.0 111.683 -172.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1087 ' ' THR . . . . . 0.535 HG22 ' HA ' ' A' 1079 ' ' GLN . 91.3 m -94.6 116.62 28.98 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 170.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1088 ' ' PHE . . . . . 0.797 ' HE2' ' HD2' ' A' 1120 ' ' PRO . 39.8 p90 -136.58 152.4 50.42 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.529 -175.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1089 ' ' ILE . . . . . 0.528 HD11 ' H ' ' A' 1089 ' ' ILE . 0.2 OUTLIER -117.1 159.16 17.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.169 177.2 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -55.89 124.3 17.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.939 -177.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 116.39 -11.03 16.75 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.336 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1092 ' ' GLU . . . . . 0.448 ' HA ' ' OE1' ' A' 1092 ' ' GLU . 3.6 mm-40 -78.54 153.37 31.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.344 0.592 . . . . 0.0 110.813 178.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 58.6 t -119.26 132.69 68.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.111 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1094 ' ' ILE . . . . . 0.597 HG12 HD11 ' A' 1109 ' ' ILE . 19.7 mt -124.54 133.97 67.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.074 0.464 . . . . 0.0 111.133 -174.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 50.7 mm -95.67 113.28 29.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 172.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1096 ' ' VAL . . . . . 0.443 HG23 ' HZ ' ' A' 1119 ' ' PHE . 30.0 t -76.53 115.44 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.595 -175.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1097 ' ' THR . . . . . 0.505 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 4.1 p -97.45 -26.01 14.99 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 179.214 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -153.35 -171.35 20.49 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.624 -177.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1099 ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' A' 1105 ' ' TRP . 0.4 OUTLIER -156.92 133.89 10.3 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 -178.172 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -116.59 -34.58 4.49 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.471 0.653 . . . . 0.0 109.538 -178.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1101 ' ' ASP . . . . . 0.749 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 12.1 t70 -130.72 172.71 11.67 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.858 -1.065 . . . . 0.0 108.693 -178.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -69.53 -36.73 76.69 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.609 0.719 . . . . 0.0 109.084 177.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -112.97 16.26 19.43 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.62 -175.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1104 ' ' TRP . . . . . 0.749 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 79.1 m95 -141.33 107.88 5.32 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.8 177.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1105 ' ' TRP . . . . . 0.406 ' HA ' ' HA ' ' A' 1099 ' ' GLU . 43.6 m0 -112.4 164.19 13.55 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.656 -176.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1106 ' ' ILE . . . . . 0.795 HG12 HG21 ' A' 1118 ' ' VAL . 52.1 mt -116.64 136.56 53.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.907 -174.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1107 ' ' GLY . . . . . 0.505 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -176.69 -163.61 29.28 Favored Glycine 0 N--CA 1.441 -1.027 0 C-N-CA 119.894 -1.146 . . . . 0.0 112.648 178.051 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -139.37 149.04 43.68 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -177.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1109 ' ' ILE . . . . . 0.674 ' HB ' ' HB2' ' A' 1112 ' ' GLN . 49.7 mm -62.89 135.23 27.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -48.84 -63.18 1.17 Allowed 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.52 0.512 . . . . 0.0 111.62 -172.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -91.74 12.76 68.53 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.642 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1112 ' ' GLN . . . . . 0.674 ' HB2' ' HB ' ' A' 1109 ' ' ILE . 22.2 mm-40 -137.21 74.11 49.57 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 121.161 0.505 . . . . 0.0 110.312 178.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -69.75 -4.26 13.67 Favored 'Trans proline' 0 C--N 1.339 0.036 0 C-N-CA 123.367 2.711 . . . . 0.0 111.493 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -81.67 -17.46 47.94 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.644 175.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -109.79 98.42 7.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.395 -178.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1116 ' ' LYS . . . . . 0.43 ' N ' ' HD3' ' A' 1116 ' ' LYS . 0.1 OUTLIER -128.11 157.59 40.33 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 177.149 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 163.94 -172.25 39.74 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.201 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1118 ' ' VAL . . . . . 0.795 HG21 HG12 ' A' 1106 ' ' ILE . 11.2 t -99.78 117.56 45.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.038 0.447 . . . . 0.0 110.342 179.017 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1119 ' ' PHE . . . . . 0.487 ' CE1' HG22 ' A' 1094 ' ' ILE . 14.7 p90 -110.82 142.95 27.25 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.348 -176.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1120 ' ' PRO . . . . . 0.797 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 59.8 Cg_endo -74.73 128.68 11.9 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.68 2.253 . . . . 0.0 111.831 176.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1121 ' ' VAL . . . . . 0.572 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 46.8 t -68.71 -16.45 20.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.229 -179.135 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.57 -21.38 66.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.864 179.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1123 ' ' PHE . . . . . 0.671 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.5 OUTLIER -112.94 0.89 15.24 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 121.428 0.632 . . . . 0.0 110.646 -175.6 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.601 HG12 ' HA ' ' A' 1074 ' ' THR . 16.2 m -129.18 176.11 8.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.239 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 68.0 t60 -142.72 132.02 23.44 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1126 ' ' ILE . . . . . 0.591 ' HA ' HG11 ' A' 1072 ' ' VAL . 2.8 mp -73.87 132.64 33.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.205 -178.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1127 ' ' LEU . . . . . 0.479 HD11 ' HB2' ' A' 1073 ' ' LYS . 77.0 mt -117.61 93.09 4.03 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.664 0.745 . . . . 0.0 110.839 -178.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 16.8 t -92.77 44.84 1.16 Allowed 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.085 -0.961 . . . . 0.0 108.714 176.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 6.2 m-20 . . . . . 0 C--O 1.248 1.017 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.362 -179.905 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 28.3 m . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 8.6 mt -65.86 127.39 26.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 121.056 0.455 . . . . 0.0 110.356 175.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1580 ' ' ILE . . . . . 0.406 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.6 mp -78.05 121.65 31.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.544 175.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 51.1 m 53.64 -152.75 0.29 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 171.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -94.59 160.64 14.54 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 171.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1583 ' ' MET . . . . . 0.573 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 2.4 ttm -59.46 137.17 89.18 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -174.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B 1584 ' ' PRO . . . . . 0.8 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 97.4 Cg_endo -84.78 -175.95 2.28 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 123.436 2.758 . . . . 0.0 110.446 174.141 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 12.5 m -110.85 125.92 54.12 Favored 'General case' 0 C--N 1.313 -0.996 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.542 -177.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1586 ' ' LYS . . . . . 0.53 ' HZ3' ' CG ' ' A' 1081 ' ' ASP . 8.2 ttmt -60.16 100.83 0.1 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.954 -1.021 . . . . 0.0 108.871 174.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 13.2 p -66.32 -14.71 62.46 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.251 -0.886 . . . . 0.0 113.114 -170.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1588 ' ' SER . . . . . . . . . . . . . 23.3 t 67.61 138.39 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.668 0.605 . . . . 0.0 109.55 -172.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B 1589 ' ' ARG . . . . . 0.734 HH11 ' HG2' ' A' 1085 ' ' GLU . 1.1 mtm-85 -70.36 134.86 48.29 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.191 -0.604 . . . . 0.0 109.727 -175.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B 1590 ' ' LYS . . . . . 0.483 ' N ' ' HD2' ' B' 1590 ' ' LYS . 3.7 mptp? -81.84 -3.9 55.15 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.951 -175.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.423 174.202 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 1070 ' ' ARG . . . . . 0.57 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 39.9 ttm180 . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1071 ' ' ARG . . . . . 0.488 ' HG3' HD12 ' A' 1095 ' ' ILE . 39.9 ttt180 -135.42 134.57 39.81 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.095 -172.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1072 ' ' VAL . . . . . 0.546 HG12 ' HA ' ' A' 1126 ' ' ILE . 28.0 m -125.21 152.47 31.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 120.949 0.404 . . . . 0.0 111.04 178.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1073 ' ' LYS . . . . . 0.44 ' HD2' ' N ' ' A' 1074 ' ' THR . 0.3 OUTLIER -119.53 134.01 55.41 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 177.231 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1074 ' ' THR . . . . . 0.558 ' HA ' HG12 ' A' 1124 ' ' VAL . 51.9 p -77.49 129.09 35.27 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-O 121.082 0.468 . . . . 0.0 110.937 -175.072 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1075 ' ' ILE . . . . . 0.562 HG13 ' CD2' ' A' 1076 ' ' TYR . 25.2 pt -101.18 -7.26 9.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-O 121.413 0.625 . . . . 0.0 110.078 179.218 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1076 ' ' TYR . . . . . 0.801 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 65.6 m-85 -137.42 176.89 8.3 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.589 -1.187 . . . . 0.0 111.095 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 2.9 t70 -107.41 132.95 52.62 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.348 -1.296 . . . . 0.0 108.573 173.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1078 ' ' CYS . . . . . 0.658 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 47.1 t -145.98 146.4 30.99 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.421 -174.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1079 ' ' GLN . . . . . 0.552 ' HA ' HG21 ' A' 1087 ' ' THR . 51.5 tt0 -127.74 144.35 51.09 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.821 -179.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1080 ' ' ALA . . . . . . . . . . . . . . . -57.81 128.8 38.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.03 -0.986 . . . . 0.0 112.549 -175.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 17.2 t70 -77.93 -34.07 51.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.11 178.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1082 ' ' ASN . . . . . 0.432 ' H ' ' CG ' ' A' 1085 ' ' GLU . 8.4 t-20 -133.99 -169.77 2.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.997 -1.001 . . . . 0.0 108.755 -177.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 34.6 t70 -69.33 -40.04 77.84 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -173.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 29.5 t70 -107.05 32.95 4.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.598 0.713 . . . . 0.0 111.651 -174.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1085 ' ' GLU . . . . . 0.509 ' CD ' HH21 ' B' 1589 ' ' ARG . 16.4 mm-40 -96.08 -171.4 2.31 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 170.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 14.1 tp -123.67 133.23 53.93 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 120.044 -0.662 . . . . 0.0 112.106 -178.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1087 ' ' THR . . . . . 0.552 HG21 ' HA ' ' A' 1079 ' ' GLN . 36.4 m -102.91 121.35 42.34 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 170.136 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1088 ' ' PHE . . . . . 0.521 ' HB2' HG22 ' A' 1074 ' ' THR . 12.5 p90 -143.57 138.19 28.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.034 0.445 . . . . 0.0 110.554 -176.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1089 ' ' ILE . . . . . 0.573 HD12 ' HB2' ' A' 1092 ' ' GLU . 1.8 pp -100.42 154.71 4.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.122 -177.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1090 ' ' GLU . . . . . 0.53 ' HG3' HG12 ' B' 1579 ' ' ILE . 3.7 tm-20 -56.9 126.58 27.71 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 -178.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 105.54 -2.95 39.51 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.912 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1092 ' ' GLU . . . . . 0.573 ' HB2' HD12 ' A' 1089 ' ' ILE . 6.3 tp10 -80.95 160.59 24.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.213 0.53 . . . . 0.0 110.51 -178.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1093 ' ' VAL . . . . . 0.474 ' O ' HG23 ' A' 1109 ' ' ILE . 59.1 t -126.87 123.88 63.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.16 -178.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1094 ' ' ILE . . . . . 0.799 HG12 HG12 ' A' 1109 ' ' ILE . 22.7 mt -118.52 137.42 52.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -176.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1095 ' ' ILE . . . . . 0.553 HG12 ' HB2' ' A' 1110 ' ' GLU . 38.7 mm -92.19 121.9 43.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 174.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1096 ' ' VAL . . . . . 0.57 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 38.9 t -83.45 117.17 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.817 0.341 . . . . 0.0 110.512 -176.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1097 ' ' THR . . . . . 0.603 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 17.9 p -104.21 -17.94 14.68 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.305 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -163.37 -172.88 31.4 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.325 -0.94 . . . . 0.0 113.109 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1099 ' ' GLU . . . . . 0.575 ' HG3' ' CD1' ' A' 1105 ' ' TRP . 21.6 tt0 -153.6 138.47 17.13 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -177.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -119.56 -40.11 2.81 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 177.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1101 ' ' ASP . . . . . 0.68 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 33.1 t70 -130.81 168.36 17.36 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.803 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -58.73 -38.42 78.32 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-O 121.44 0.638 . . . . 0.0 109.999 176.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1103 ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' 1120 ' ' PRO . 53.7 tt0 -109.77 9.44 24.79 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.845 -171.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1104 ' ' TRP . . . . . 0.68 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 79.0 m95 -140.67 107.22 5.31 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.486 -178.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1105 ' ' TRP . . . . . 0.575 ' CD1' ' HG3' ' A' 1099 ' ' GLU . 44.0 m0 -111.0 161.86 15.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.505 -178.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1106 ' ' ILE . . . . . 0.473 HG12 HG22 ' A' 1118 ' ' VAL . 45.7 mt -116.22 139.26 43.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.96 -174.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1107 ' ' GLY . . . . . 0.603 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -179.64 -165.87 34.39 Favored Glycine 0 N--CA 1.44 -1.056 0 C-N-CA 119.98 -1.105 . . . . 0.0 112.733 175.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1108 ' ' HIS . . . . . 0.598 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 14.6 p-80 -138.18 141.25 40.05 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1109 ' ' ILE . . . . . 0.799 HG12 HG12 ' A' 1094 ' ' ILE . 12.2 mt -66.93 132.65 32.17 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.122 -172.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1110 ' ' GLU . . . . . 0.553 ' HB2' HG12 ' A' 1095 ' ' ILE . 2.0 tm-20 -72.33 110.94 7.11 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.703 -1.135 . . . . 0.0 109.305 -174.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 112.16 -10.71 26.83 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.986 -0.626 . . . . 0.0 111.599 -177.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 49.2 tp60 -151.92 84.83 4.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -63.04 -20.85 72.43 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 123.368 2.712 . . . . 0.0 113.379 -173.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.06 -13.48 61.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.885 0.374 . . . . 0.0 111.401 178.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1115 ' ' ARG . . . . . 0.449 ' HB2' ' HB ' ' A' 1109 ' ' ILE . 86.0 mtt180 -96.53 88.63 4.74 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 176.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1116 ' ' LYS . . . . . 0.723 ' HB2' ' HZ1' ' A' 1116 ' ' LYS . 0.0 OUTLIER -131.47 150.47 52.14 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.224 177.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 166.35 -164.3 37.51 Favored Glycine 0 N--CA 1.44 -1.076 0 N-CA-C 110.681 -0.968 . . . . 0.0 110.681 -178.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1118 ' ' VAL . . . . . 0.473 HG22 HG12 ' A' 1106 ' ' ILE . 7.0 t -103.71 120.34 53.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 176.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1119 ' ' PHE . . . . . . . . . . . . . 11.6 p90 -110.21 135.18 20.59 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.743 -177.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1120 ' ' PRO . . . . . 0.411 ' HA ' ' O ' ' A' 1103 ' ' GLU . 31.1 Cg_endo -69.06 126.38 13.7 Favored 'Trans proline' 0 N--CA 1.459 -0.5 0 C-N-CA 122.62 2.213 . . . . 0.0 111.8 175.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1121 ' ' VAL . . . . . 0.572 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 59.2 t -64.45 -16.64 19.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.45 0.643 . . . . 0.0 109.698 177.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1122 ' ' SER . . . . . 0.614 ' HB2' ' HD1' ' A' 1123 ' ' PHE . 0.9 OUTLIER -58.65 -30.67 67.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.787 178.06 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1123 ' ' PHE . . . . . 0.658 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.4 OUTLIER -109.16 6.83 25.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.981 -173.595 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.572 ' CG2' ' HA ' ' A' 1121 ' ' VAL . 17.4 m -134.78 177.11 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 121.165 0.507 . . . . 0.0 112.076 -177.031 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -139.56 147.7 41.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.26 177.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1126 ' ' ILE . . . . . 0.546 ' HA ' HG12 ' A' 1072 ' ' VAL . 2.3 mp -86.76 124.62 40.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.112 0.482 . . . . 0.0 110.828 -177.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 10.6 mp -113.43 -57.29 2.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.761 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 15.2 m 53.92 44.18 29.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.803 0.811 . . . . 0.0 109.265 -172.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 26.4 t70 . . . . . 0 C--O 1.246 0.875 0 CA-C-N 114.641 -1.163 . . . . 0.0 109.488 -177.647 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 33.6 m . . . . . 0 N--CA 1.478 0.939 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B 1579 ' ' ILE . . . . . 0.53 HG12 ' HG3' ' A' 1090 ' ' GLU . 19.1 mt -61.71 131.1 26.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.103 0.477 . . . . 0.0 110.603 177.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1580 ' ' ILE . . . . . 0.488 HD11 ' HB ' ' A' 1075 ' ' ILE . 1.7 mp -87.51 120.46 36.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 173.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 24.7 m 54.16 -156.48 0.21 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 169.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -91.86 159.29 15.86 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.312 169.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1583 ' ' MET . . . . . 0.657 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 2.1 ttm -54.25 138.06 58.07 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -173.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1584 ' ' PRO . . . . . 0.801 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 68.2 Cg_endo -87.59 -175.53 1.51 Allowed 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 123.49 2.793 . . . . 0.0 110.049 177.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 85.2 m -110.59 136.88 49.02 Favored 'General case' 0 C--N 1.305 -1.339 0 C-N-CA 120.509 -0.477 . . . . 0.0 109.873 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1586 ' ' LYS . . . . . 0.476 ' C ' ' H ' ' B' 1588 ' ' SER . 16.3 ttmt -65.11 95.87 0.19 Allowed 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 169.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 5.1 m -74.54 25.98 0.08 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.283 -168.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B 1588 ' ' SER . . . . . 0.476 ' H ' ' C ' ' B' 1586 ' ' LYS . 27.4 m 62.16 141.16 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.855 0.836 . . . . 0.0 111.716 -178.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1589 ' ' ARG . . . . . 0.509 HH21 ' CD ' ' A' 1085 ' ' GLU . 7.2 ttp85 -85.01 103.4 14.01 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 173.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1590 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.34 25.66 0.06 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.154 0.502 . . . . 0.0 112.26 -172.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B 1591 ' ' ALA . . . . . 0.481 ' H ' ' C ' ' B' 1589 ' ' ARG . . . . . . . . 0 C--N 1.321 -0.653 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 172.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1070 ' ' ARG . . . . . 0.684 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 8.5 ttm180 . . . . . 0 C--O 1.221 -0.415 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 44.1 ttt180 -105.93 127.21 52.99 Favored 'General case' 0 C--N 1.313 -1.01 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.122 -169.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1072 ' ' VAL . . . . . 0.547 HG13 ' HA ' ' A' 1126 ' ' ILE . 25.2 m -125.41 155.9 34.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.689 0.281 . . . . 0.0 110.44 177.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1073 ' ' LYS . . . . . 0.46 ' HD2' ' N ' ' A' 1074 ' ' THR . 0.4 OUTLIER -123.54 133.34 54.01 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.027 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1074 ' ' THR . . . . . 0.573 ' HA ' HG11 ' A' 1124 ' ' VAL . 59.8 p -72.5 118.48 15.46 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.049 0.452 . . . . 0.0 110.569 -177.125 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1075 ' ' ILE . . . . . 0.649 HG13 ' CD2' ' A' 1076 ' ' TYR . 21.2 pt -98.71 -5.93 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.645 0.736 . . . . 0.0 109.835 -178.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1076 ' ' TYR . . . . . 0.785 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 98.7 m-85 -138.98 177.97 7.5 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.196 -1.365 . . . . 0.0 109.605 176.316 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -113.51 130.56 56.32 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.173 172.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1078 ' ' CYS . . . . . 0.778 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 42.0 t -136.49 142.0 43.52 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.89 -177.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1079 ' ' GLN . . . . . 0.566 ' HA ' HG23 ' A' 1087 ' ' THR . 54.6 mt-30 -109.59 173.23 6.42 Favored 'General case' 0 C--N 1.311 -1.097 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.558 178.283 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1080 ' ' ALA . . . . . 0.543 ' HB3' ' HG2' ' A' 1085 ' ' GLU . . . -44.16 134.75 4.69 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.254 -1.339 . . . . 0.0 113.722 -179.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 12.0 t0 -99.35 -34.02 10.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.852 173.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -138.38 -169.21 2.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.55 -178.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -71.6 -20.53 61.98 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.639 0.733 . . . . 0.0 109.667 170.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 9.5 t70 -116.55 93.68 4.31 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.979 -1.009 . . . . 0.0 109.759 -178.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1085 ' ' GLU . . . . . 0.543 ' HG2' ' HB3' ' A' 1080 ' ' ALA . 0.0 OUTLIER -153.19 -166.81 2.53 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.247 0.546 . . . . 0.0 111.861 -179.173 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1086 ' ' LEU . . . . . 0.513 HD13 ' HA ' ' A' 1116 ' ' LYS . 6.8 tt -141.87 106.14 4.8 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.166 -0.925 . . . . 0.0 109.207 170.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1087 ' ' THR . . . . . 0.566 HG23 ' HA ' ' A' 1079 ' ' GLN . 54.4 m -77.49 135.17 38.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.332 177.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1088 ' ' PHE . . . . . 0.592 ' HZ ' ' HB2' ' A' 1123 ' ' PHE . 11.1 p90 -147.76 160.77 42.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.237 0.542 . . . . 0.0 111.734 -175.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1089 ' ' ILE . . . . . 0.442 HD13 ' HG2' ' A' 1092 ' ' GLU . 1.8 pp -126.22 158.92 35.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.129 177.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -57.14 124.82 20.12 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.598 0.561 . . . . 0.0 110.17 -178.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 114.17 -6.45 23.38 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.42 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1092 ' ' GLU . . . . . 0.442 ' HG2' HD13 ' A' 1089 ' ' ILE . 19.1 mm-40 -83.98 159.4 21.24 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.052 0.453 . . . . 0.0 111.549 176.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 58.1 t -125.68 127.06 71.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 179.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1094 ' ' ILE . . . . . 0.554 HG12 HD11 ' A' 1109 ' ' ILE . 24.8 mt -115.33 129.76 71.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-O 121.279 0.562 . . . . 0.0 110.951 -174.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 51.3 mm -89.58 101.99 12.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 173.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1096 ' ' VAL . . . . . 0.74 HG22 ' HZ ' ' A' 1119 ' ' PHE . 61.6 t -70.89 121.62 21.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.511 -178.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 7.8 p -104.33 -19.17 14.17 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.095 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -163.34 -176.71 35.61 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.872 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -139.87 148.39 42.0 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1100 ' ' GLU . . . . . 0.476 ' CD ' HH21 ' B' 1589 ' ' ARG . 31.2 tt0 -123.99 -38.46 2.47 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.365 -0.534 . . . . 0.0 109.697 176.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1101 ' ' ASP . . . . . . . . . . . . . 31.3 t70 -139.05 175.15 9.8 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 174.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -58.27 -48.29 80.93 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.27 0.557 . . . . 0.0 110.082 176.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1103 ' ' GLU . . . . . 0.542 ' O ' ' HA ' ' A' 1120 ' ' PRO . 30.4 tt0 -98.33 6.68 47.11 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.389 -171.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1104 ' ' TRP . . . . . 0.656 ' CD1' ' HA ' ' B' 1589 ' ' ARG . 87.4 m95 -139.79 105.19 5.06 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.45 0.643 . . . . 0.0 111.022 -178.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 44.8 m0 -107.03 167.95 9.54 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.502 -178.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 48.4 mt -119.03 135.15 60.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.194 -175.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -177.13 -161.36 25.61 Favored Glycine 0 N--CA 1.441 -1.009 0 C-N-CA 120.313 -0.946 . . . . 0.0 112.4 178.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1108 ' ' HIS . . . . . 0.456 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 8.5 p-80 -147.81 149.87 33.14 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.639 0.257 . . . . 0.0 110.572 -178.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1109 ' ' ILE . . . . . 0.554 HD11 HG12 ' A' 1094 ' ' ILE . 32.2 mm -60.62 136.19 24.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.461 178.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -62.02 -47.18 85.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.072 -177.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -90.64 8.86 79.16 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.581 -0.818 . . . . 0.0 112.752 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1112 ' ' GLN . . . . . 0.463 ' O ' ' HB ' ' A' 1109 ' ' ILE . 48.6 tp60 -161.63 78.94 2.12 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -178.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -66.69 -16.71 51.27 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 123.17 2.58 . . . . 0.0 112.884 -174.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -72.06 -26.69 62.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.088 0.47 . . . . 0.0 109.751 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 74.7 mtt-85 -82.36 93.84 7.26 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 170.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1116 ' ' LYS . . . . . 0.513 ' HA ' HD13 ' A' 1086 ' ' LEU . 23.4 pttm -138.16 147.66 44.11 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.113 -176.11 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1117 ' ' GLY . . . . . 0.439 ' HA3' ' O ' ' A' 1085 ' ' GLU . . . 162.55 -147.38 13.31 Favored Glycine 0 N--CA 1.443 -0.894 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.067 -177.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1118 ' ' VAL . . . . . 0.466 HG21 ' CZ ' ' B' 1589 ' ' ARG . 2.1 t -112.52 129.14 68.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 110.541 -0.17 . . . . 0.0 110.541 -175.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1119 ' ' PHE . . . . . 0.74 ' HZ ' HG22 ' A' 1096 ' ' VAL . 23.6 p90 -128.14 146.5 59.64 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.614 -175.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1120 ' ' PRO . . . . . 0.544 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 73.7 Cg_endo -78.7 126.26 7.25 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.228 2.619 . . . . 0.0 112.565 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1121 ' ' VAL . . . . . 0.569 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 83.9 t -65.94 -19.56 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.8 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1122 ' ' SER . . . . . 0.404 ' HG ' ' CD ' ' A' 1103 ' ' GLU . 45.4 m -61.57 -25.78 67.54 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 177.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1123 ' ' PHE . . . . . 0.778 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.6 OUTLIER -107.88 0.77 22.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.403 0.62 . . . . 0.0 110.753 -174.455 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.573 HG11 ' HA ' ' A' 1074 ' ' THR . 14.9 m -127.61 169.89 18.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.248 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 33.2 t60 -134.45 141.02 46.65 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1126 ' ' ILE . . . . . 0.547 ' HA ' HG13 ' A' 1072 ' ' VAL . 2.0 mp -82.29 124.74 39.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.105 0.478 . . . . 0.0 110.831 -176.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 9.1 mp -105.85 -53.34 2.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.814 176.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 49.1 m 53.68 47.67 23.26 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.78 0.8 . . . . 0.0 109.422 -173.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 30.9 t70 . . . . . 0 C--O 1.251 1.136 0 CA-C-N 114.729 -1.123 . . . . 0.0 109.759 -176.322 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 73.8 m . . . . . 0 N--CA 1.476 0.851 0 CA-C-O 120.684 0.278 . . . . 0.0 110.729 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 35.9 mt -71.77 120.5 20.13 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-O 121.189 0.519 . . . . 0.0 110.008 176.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1580 ' ' ILE . . . . . 0.459 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.6 mp -65.91 113.67 2.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.372 176.378 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 49.9 m 58.16 -151.87 0.41 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.789 0.328 . . . . 0.0 111.086 176.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -92.63 153.67 18.85 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 170.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1583 ' ' MET . . . . . 0.544 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 4.6 ttm -59.69 134.46 89.31 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -176.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B 1584 ' ' PRO . . . . . 0.785 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 95.2 Cg_endo -84.08 -175.53 2.25 Favored 'Trans proline' 0 N--CA 1.445 -1.35 0 C-N-CA 123.226 2.618 . . . . 0.0 109.598 176.052 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 14.8 t -113.6 139.71 48.79 Favored 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 119.432 -0.907 . . . . 0.0 109.39 -178.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1586 ' ' LYS . . . . . 0.456 ' C ' ' H ' ' B' 1588 ' ' SER . 3.8 tmmt? -67.28 99.53 0.72 Allowed 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 174.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 5.4 m -71.39 14.89 0.15 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.723 -167.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B 1588 ' ' SER . . . . . 0.456 ' H ' ' C ' ' B' 1586 ' ' LYS . 51.1 m 67.72 127.76 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.744 0.783 . . . . 0.0 110.751 -176.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B 1589 ' ' ARG . . . . . 0.656 ' HA ' ' CD1' ' A' 1104 ' ' TRP . 37.5 ttt180 -60.68 122.06 13.8 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.649 177.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B 1590 ' ' LYS . . . . . 0.5 ' N ' ' HD2' ' B' 1590 ' ' LYS . 0.4 OUTLIER -71.51 -5.83 36.01 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.177 0.513 . . . . 0.0 111.205 -173.368 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.384 174.11 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 1070 ' ' ARG . . . . . 0.436 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 42.3 ttm180 . . . . . 0 C--O 1.22 -0.469 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1071 ' ' ARG . . . . . 0.486 ' HG3' HD11 ' A' 1095 ' ' ILE . 3.1 ttm180 -84.98 135.56 33.98 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.526 -0.469 . . . . 0.0 110.747 -178.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1072 ' ' VAL . . . . . 0.551 HG11 ' HA ' ' A' 1126 ' ' ILE . 33.8 m -129.98 153.82 39.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.108 176.164 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1073 ' ' LYS . . . . . 0.505 ' HG2' HG22 ' A' 1093 ' ' VAL . 0.1 OUTLIER -120.67 135.95 54.98 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 -179.283 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 1074 ' ' THR . . . . . 0.557 ' HA ' HG11 ' A' 1124 ' ' VAL . 72.5 p -78.38 126.56 30.95 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.321 0.581 . . . . 0.0 111.113 -175.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1075 ' ' ILE . . . . . 0.549 HD12 ' HB ' ' B' 1580 ' ' ILE . 15.8 pt -103.36 -3.7 9.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.997 179.156 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1076 ' ' TYR . . . . . 0.671 ' HB2' ' HB3' ' A' 1123 ' ' PHE . 31.2 m-85 -144.92 172.52 12.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.84 -179.381 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1077 ' ' ASP . . . . . 0.505 ' HA ' ' HA ' ' A' 1089 ' ' ILE . 10.1 p-10 -110.05 111.24 22.49 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 114.806 -1.088 . . . . 0.0 108.805 175.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1078 ' ' CYS . . . . . 0.699 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 51.5 t -119.89 143.29 48.03 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.512 -177.404 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1079 ' ' GLN . . . . . 0.542 ' HA ' HG23 ' A' 1087 ' ' THR . 49.3 mt-30 -121.47 142.11 50.36 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-O 121.329 0.585 . . . . 0.0 111.283 -178.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1080 ' ' ALA . . . . . 0.58 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -87.54 149.24 24.48 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.849 -173.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1081 ' ' ASP . . . . . 0.408 ' CG ' ' HZ3' ' B' 1586 ' ' LYS . 7.3 m-20 -95.58 -36.07 11.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.553 179.306 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 11.0 m120 -108.34 153.01 23.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.163 177.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 34.5 t70 -63.31 -25.39 68.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.296 -0.866 . . . . 0.0 112.297 -174.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -87.82 -2.53 58.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.861 0.363 . . . . 0.0 111.689 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1085 ' ' GLU . . . . . 0.58 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 59.1 mt-10 -97.85 159.14 15.12 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1086 ' ' LEU . . . . . 0.654 ' HB3' ' HB3' ' A' 1119 ' ' PHE . 9.3 tp -96.96 129.75 44.37 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.102 0.477 . . . . 0.0 112.205 -171.165 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1087 ' ' THR . . . . . 0.542 HG23 ' HA ' ' A' 1079 ' ' GLN . 96.2 m -100.98 128.11 47.16 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 169.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1088 ' ' PHE . . . . . 0.73 ' HE2' ' HD2' ' A' 1120 ' ' PRO . 34.4 p90 -146.45 158.57 43.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.895 0.379 . . . . 0.0 111.082 -175.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1089 ' ' ILE . . . . . 0.518 HD13 ' HB2' ' A' 1092 ' ' GLU . 1.8 pp -125.43 155.84 34.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.713 -179.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1090 ' ' GLU . . . . . 0.401 ' HG2' ' C ' ' A' 1075 ' ' ILE . 6.6 tm-20 -55.78 128.45 34.96 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 123.515 0.509 . . . . 0.0 110.585 -178.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 105.13 -5.65 42.2 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.571 -0.823 . . . . 0.0 111.661 -178.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1092 ' ' GLU . . . . . 0.518 ' HB2' HD13 ' A' 1089 ' ' ILE . 4.0 tp10 -84.96 160.56 20.05 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.641 -0.504 . . . . 0.0 109.641 177.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1093 ' ' VAL . . . . . 0.505 HG22 ' HG2' ' A' 1073 ' ' LYS . 59.8 t -129.43 131.4 67.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -178.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1094 ' ' ILE . . . . . 0.449 HG23 ' CE1' ' A' 1119 ' ' PHE . 14.9 mt -120.51 135.78 59.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.997 0.427 . . . . 0.0 110.961 -175.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1095 ' ' ILE . . . . . 0.512 HG12 ' HG2' ' A' 1110 ' ' GLU . 32.4 mm -93.03 109.61 21.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.307 172.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1096 ' ' VAL . . . . . 0.72 HG23 ' HZ ' ' A' 1119 ' ' PHE . 93.7 t -73.88 113.09 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.063 0.459 . . . . 0.0 110.334 178.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 21.3 p -100.5 -12.13 19.56 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.774 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -172.45 178.51 44.53 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.236 179.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -133.46 144.81 49.71 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1100 ' ' GLU . . . . . 0.541 ' OE1' ' HD2' ' B' 1589 ' ' ARG . 42.0 tt0 -121.51 -47.75 2.21 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.482 0.658 . . . . 0.0 109.356 178.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1101 ' ' ASP . . . . . 0.797 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 26.5 t70 -116.12 179.41 4.0 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 174.221 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -73.4 -35.47 65.87 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 175.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -113.53 12.5 18.6 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.446 -175.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1104 ' ' TRP . . . . . 0.797 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 70.7 m95 -137.84 107.45 6.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.37 176.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 45.3 m0 -111.08 169.27 8.88 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.712 -175.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1106 ' ' ILE . . . . . 0.435 HG12 HG23 ' A' 1118 ' ' VAL . 33.3 mt -118.01 136.08 56.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.108 -174.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -179.0 -161.36 26.49 Favored Glycine 0 N--CA 1.441 -1.031 0 C-N-CA 119.817 -1.182 . . . . 0.0 112.799 177.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1108 ' ' HIS . . . . . 0.529 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 17.8 p-80 -148.19 151.27 35.24 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.564 -0.318 . . . . 0.0 110.167 -177.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1109 ' ' ILE . . . . . 0.448 HD11 ' HG3' ' A' 1092 ' ' GLU . 39.5 mm -62.92 134.3 28.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.089 -177.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1110 ' ' GLU . . . . . 0.512 ' HG2' HG12 ' A' 1095 ' ' ILE . 0.0 OUTLIER -66.03 103.15 0.9 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.371 -178.682 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 106.37 -5.88 38.66 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.338 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -140.38 79.4 20.97 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-O 121.036 0.446 . . . . 0.0 109.904 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -70.31 3.52 2.99 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.55 2.833 . . . . 0.0 113.28 -175.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -83.81 -27.17 28.98 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.265 0.555 . . . . 0.0 109.749 174.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -94.08 89.62 6.09 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.405 178.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1116 ' ' LYS . . . . . 0.529 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 0.0 OUTLIER -131.32 157.66 42.74 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.984 176.835 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 154.38 -162.67 30.76 Favored Glycine 0 N--CA 1.444 -0.812 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.88 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1118 ' ' VAL . . . . . 0.435 HG23 HG12 ' A' 1106 ' ' ILE . 8.3 t -101.18 122.72 53.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.908 0.385 . . . . 0.0 110.548 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1119 ' ' PHE . . . . . 0.72 ' HZ ' HG23 ' A' 1096 ' ' VAL . 23.9 p90 -117.84 145.65 37.12 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.988 -176.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1120 ' ' PRO . . . . . 0.73 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 62.3 Cg_endo -76.6 124.65 7.74 Favored 'Trans proline' 0 C--O 1.237 0.467 0 C-N-CA 122.965 2.443 . . . . 0.0 112.968 178.381 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1121 ' ' VAL . . . . . 0.59 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 57.3 t -64.56 -16.16 18.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.429 178.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1122 ' ' SER . . . . . 0.623 ' HB2' ' CD1' ' A' 1123 ' ' PHE . 0.7 OUTLIER -59.71 -34.15 72.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.106 -179.409 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 1123 ' ' PHE . . . . . 0.699 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.1 OUTLIER -107.27 5.84 27.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.046 0.451 . . . . 0.0 110.219 -173.316 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.59 ' CG2' ' HA ' ' A' 1121 ' ' VAL . 16.3 m -127.48 167.47 22.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.906 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 3.1 t60 -131.71 138.18 48.56 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 -178.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1126 ' ' ILE . . . . . 0.551 ' HA ' HG11 ' A' 1072 ' ' VAL . 1.9 mp -83.77 128.5 38.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.044 0.45 . . . . 0.0 111.907 -173.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 9.4 mp -109.03 -47.19 3.47 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 173.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 1128 ' ' SER . . . . . 0.411 ' CB ' ' HG3' ' A' 1070 ' ' ARG . 5.4 t 58.43 57.17 3.98 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.311 176.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 38.9 t70 . . . . . 0 C--O 1.248 1.015 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.598 174.94 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 72.6 m . . . . . 0 N--CA 1.477 0.898 0 CA-C-O 120.831 0.348 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 34.4 mt -90.58 122.81 42.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.49 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1580 ' ' ILE . . . . . 0.549 ' HB ' HD12 ' A' 1075 ' ' ILE . 1.6 mp -94.49 102.41 13.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.029 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B 1581 ' ' SER . . . . . 0.464 ' HB2' ' O ' ' B' 1580 ' ' ILE . 44.5 m 75.23 -139.55 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.542 -176.193 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -119.48 164.38 15.86 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 171.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1583 ' ' MET . . . . . 0.517 ' HA ' ' CE1' ' A' 1076 ' ' TYR . 18.7 ttm -41.17 119.77 1.82 Allowed Pre-proline 0 N--CA 1.467 0.393 0 O-C-N 123.919 0.762 . . . . 0.0 112.312 -171.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B 1584 ' ' PRO . . . . . 0.456 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 2.9 Cg_exo -73.64 -176.87 2.75 Favored 'Trans proline' 0 N--CA 1.448 -1.159 0 C-N-CA 122.667 2.245 . . . . 0.0 110.606 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 32.0 m -109.77 134.34 52.12 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1586 ' ' LYS . . . . . 0.408 ' HZ3' ' CG ' ' A' 1081 ' ' ASP . 37.8 ttmt -59.94 108.59 0.79 Allowed 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 172.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 3.7 p -66.03 -1.46 3.12 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.43 -0.805 . . . . 0.0 113.055 -169.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1588 ' ' SER . . . . . . . . . . . . . 20.3 m 61.6 99.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.475 0.655 . . . . 0.0 110.194 -176.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B 1589 ' ' ARG . . . . . 0.541 ' HD2' ' OE1' ' A' 1100 ' ' GLU . 17.3 ttp85 -50.12 124.01 9.41 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.891 -1.049 . . . . 0.0 111.206 -177.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B 1590 ' ' LYS . . . . . 0.564 ' N ' ' HD2' ' B' 1590 ' ' LYS . 3.4 mptp? -76.77 -2.97 35.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.581 0.705 . . . . 0.0 110.335 -175.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.737 171.025 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 . . . . . 0 N--CA 1.45 -0.446 0 CA-C-O 121.587 0.708 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 1071 ' ' ARG . . . . . 0.425 ' HG3' HD12 ' A' 1095 ' ' ILE . 22.3 ttm180 -129.3 149.23 51.18 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.751 -177.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1072 ' ' VAL . . . . . 0.551 HG13 ' HA ' ' A' 1126 ' ' ILE . 34.3 m -124.88 147.0 29.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.131 0.491 . . . . 0.0 110.339 175.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1073 ' ' LYS . . . . . 0.584 ' HB2' HD13 ' A' 1127 ' ' LEU . 0.2 OUTLIER -111.62 131.14 55.48 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 175.738 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 1074 ' ' THR . . . . . 0.546 ' HA ' HG12 ' A' 1124 ' ' VAL . 58.9 p -72.97 114.44 11.12 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.353 0.597 . . . . 0.0 110.25 -177.649 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1075 ' ' ILE . . . . . 0.533 HD12 ' HB ' ' B' 1580 ' ' ILE . 8.4 pt -93.86 -0.8 10.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-O 121.665 0.745 . . . . 0.0 109.567 179.267 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1076 ' ' TYR . . . . . 0.681 ' HB2' ' HB3' ' A' 1123 ' ' PHE . 31.4 m-85 -145.09 177.94 8.41 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.129 -1.396 . . . . 0.0 111.186 178.38 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -118.9 124.83 48.06 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 176.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1078 ' ' CYS . . . . . 0.511 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 42.0 t -131.8 144.79 51.18 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.772 -173.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1079 ' ' GLN . . . . . 0.519 ' HA ' HG23 ' A' 1087 ' ' THR . 25.9 tm0? -126.23 138.31 53.61 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.713 0.768 . . . . 0.0 111.418 -176.163 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1080 ' ' ALA . . . . . 0.489 ' HA ' ' HB3' ' A' 1085 ' ' GLU . . . -56.73 139.62 50.08 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 113.653 -1.612 . . . . 0.0 114.436 -173.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -76.49 -55.33 5.64 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.011 169.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -119.66 -170.79 2.01 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.04 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -67.0 -26.28 66.72 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.92 0.39 . . . . 0.0 111.821 -175.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -92.33 4.51 53.22 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -172.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1085 ' ' GLU . . . . . 0.489 ' HB3' ' HA ' ' A' 1080 ' ' ALA . 4.8 mp0 -91.45 151.96 20.58 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 172.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1086 ' ' LEU . . . . . 0.676 ' HB3' ' HB3' ' A' 1119 ' ' PHE . 11.4 tp -96.96 118.12 32.66 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.181 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1087 ' ' THR . . . . . 0.519 HG23 ' HA ' ' A' 1079 ' ' GLN . 56.5 m -88.31 116.18 26.33 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 172.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1088 ' ' PHE . . . . . 0.62 ' HE2' ' HB2' ' A' 1119 ' ' PHE . 15.8 p90 -130.96 158.73 39.47 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.126 -178.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1089 ' ' ILE . . . . . 0.564 HD13 ' HB2' ' A' 1092 ' ' GLU . 1.6 pp -123.2 150.32 27.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.843 -179.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -56.95 119.18 5.83 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.969 -175.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 116.02 -6.89 19.44 Favored Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 111.374 -0.69 . . . . 0.0 111.374 -177.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1092 ' ' GLU . . . . . 0.564 ' HB2' HD13 ' A' 1089 ' ' ILE . 5.2 tp10 -82.73 161.73 21.98 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.368 0.604 . . . . 0.0 111.029 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 71.3 t -126.79 118.3 50.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.123 -175.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1094 ' ' ILE . . . . . 0.531 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 19.7 mt -113.92 131.42 65.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.69 -176.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1095 ' ' ILE . . . . . 0.425 HD12 ' HG3' ' A' 1071 ' ' ARG . 43.8 mm -92.09 122.13 43.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 174.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 29.3 t -81.89 114.87 23.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.918 0.39 . . . . 0.0 110.829 -174.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1097 ' ' THR . . . . . 0.505 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 19.0 p -103.06 -15.04 16.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.664 -177.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -167.97 -172.36 34.89 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.52 -0.848 . . . . 0.0 112.747 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -144.31 138.33 27.82 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 -179.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1100 ' ' GLU . . . . . 0.708 ' HG2' ' HE ' ' B' 1589 ' ' ARG . 5.9 tp10 -114.39 -39.17 3.89 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.779 0.799 . . . . 0.0 109.141 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1101 ' ' ASP . . . . . 0.682 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 6.8 t70 -138.69 173.6 11.41 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.889 -1.05 . . . . 0.0 108.353 -177.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -65.61 -35.07 79.73 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.878 0.847 . . . . 0.0 109.145 177.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -112.86 12.06 19.37 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 114.22 -1.354 . . . . 0.0 110.44 -174.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1104 ' ' TRP . . . . . 0.682 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 83.5 m95 -139.85 104.16 4.82 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.407 -178.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 44.8 m0 -108.44 165.56 11.43 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.072 0.463 . . . . 0.0 110.311 -177.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1106 ' ' ILE . . . . . 0.647 HG12 HG22 ' A' 1118 ' ' VAL . 63.9 mt -115.41 134.12 59.56 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.005 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.319 -175.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1107 ' ' GLY . . . . . 0.505 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -171.68 -163.18 25.19 Favored Glycine 0 N--CA 1.437 -1.291 0 C-N-CA 119.956 -1.116 . . . . 0.0 112.5 178.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1108 ' ' HIS . . . . . 0.495 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 9.5 p-80 -149.16 150.82 33.29 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -178.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1109 ' ' ILE . . . . . 0.473 HD13 ' HG3' ' A' 1092 ' ' GLU . 28.8 mm -63.31 137.58 24.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.748 178.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -67.66 -33.35 74.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.731 -178.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1111 ' ' GLY . . . . . 0.456 ' H ' HG21 ' A' 1109 ' ' ILE . . . -80.85 -38.11 17.18 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.59 -0.814 . . . . 0.0 111.981 177.094 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -117.67 85.95 22.74 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 178.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -62.9 -26.68 74.46 Favored 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 123.091 2.528 . . . . 0.0 114.017 -172.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.54 -2.54 58.38 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.172 0.51 . . . . 0.0 111.024 -178.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1115 ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' 1115 ' ' ARG . 57.6 mtt-85 -90.12 92.98 9.19 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 170.057 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1116 ' ' LYS . . . . . 0.495 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 7.4 ptmm? -137.69 160.98 37.72 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.166 -1.379 . . . . 0.0 110.956 -167.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 155.9 -161.88 30.95 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 121.045 -0.598 . . . . 0.0 111.9 -177.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1118 ' ' VAL . . . . . 0.647 HG22 HG12 ' A' 1106 ' ' ILE . 10.6 t -104.48 123.13 58.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.129 0.49 . . . . 0.0 110.464 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1119 ' ' PHE . . . . . 0.676 ' HB3' ' HB3' ' A' 1086 ' ' LEU . 24.1 p90 -117.2 146.94 39.33 Favored Pre-proline 0 C--N 1.318 -0.775 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.289 -177.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1120 ' ' PRO . . . . . 0.419 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 54.5 Cg_endo -77.21 126.63 8.65 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.38 2.053 . . . . 0.0 112.515 177.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1121 ' ' VAL . . . . . 0.524 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 91.2 t -64.01 -18.51 22.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.174 -178.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 16.3 m -64.15 -28.8 70.01 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -178.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1123 ' ' PHE . . . . . 0.681 ' HB3' ' HB2' ' A' 1076 ' ' TYR . 0.1 OUTLIER -104.54 -0.14 28.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.26 0.552 . . . . 0.0 109.851 -174.337 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.546 HG12 ' HA ' ' A' 1074 ' ' THR . 19.3 m -124.92 172.08 12.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.102 178.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1125 ' ' HIS . . . . . 0.407 ' HB2' HD13 ' A' 1075 ' ' ILE . 69.8 t60 -139.26 132.74 30.27 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1126 ' ' ILE . . . . . 0.551 ' HA ' HG13 ' A' 1072 ' ' VAL . 2.9 mp -73.86 131.91 34.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.847 -178.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1127 ' ' LEU . . . . . 0.584 HD13 ' HB2' ' A' 1073 ' ' LYS . 14.7 mt -103.48 67.65 0.92 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.302 -176.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 22.6 t -112.5 23.7 13.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.528 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 30.7 t70 . . . . . 0 C--O 1.246 0.912 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.339 179.124 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 66.9 m . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.826 0.346 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 58.7 mt -82.33 132.95 30.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.502 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1580 ' ' ILE . . . . . 0.533 ' HB ' HD12 ' A' 1075 ' ' ILE . 1.6 mp -98.17 101.24 11.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.951 0.405 . . . . 0.0 109.91 178.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 12.8 t 74.74 -140.99 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.794 -176.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -120.38 157.37 29.43 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 173.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1583 ' ' MET . . . . . 0.674 ' HA ' ' CE1' ' A' 1076 ' ' TYR . 30.1 ttm -41.1 118.58 1.67 Allowed Pre-proline 0 N--CA 1.469 0.479 0 O-C-N 123.857 0.723 . . . . 0.0 112.631 -168.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B 1584 ' ' PRO . . . . . 0.566 ' HD3' ' CZ ' ' A' 1076 ' ' TYR . 69.7 Cg_endo -73.08 -177.09 2.73 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 122.796 2.33 . . . . 0.0 110.228 179.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 1.4 m -110.26 122.29 47.29 Favored 'General case' 0 C--N 1.304 -1.39 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.004 -177.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1586 ' ' LYS . . . . . 0.478 ' HB3' ' HE2' ' B' 1586 ' ' LYS . 3.0 tmmm? -63.9 94.46 0.1 Allowed 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 171.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 16.2 m -72.65 21.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.293 -1.321 . . . . 0.0 112.963 -165.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B 1588 ' ' SER . . . . . 0.464 ' H ' ' C ' ' B' 1586 ' ' LYS . 27.0 m 65.2 156.31 0.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.797 0.808 . . . . 0.0 111.019 -175.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B 1589 ' ' ARG . . . . . 0.708 ' HE ' ' HG2' ' A' 1100 ' ' GLU . 18.8 ttt180 -105.42 117.74 34.79 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.76 -176.608 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B 1590 ' ' LYS . . . . . 0.586 ' H ' ' HE3' ' B' 1590 ' ' LYS . 0.0 OUTLIER -69.87 -35.69 74.87 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.416 0.627 . . . . 0.0 109.564 -176.697 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B 1591 ' ' ALA . . . . . 0.5 ' HB1' ' HG3' ' A' 1100 ' ' GLU . . . . . . . . 0 C--N 1.322 -0.612 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.354 174.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1070 ' ' ARG . . . . . 0.63 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 14.1 ttm180 . . . . . 0 C--O 1.222 -0.373 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -117.12 135.5 53.71 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 178.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1072 ' ' VAL . . . . . 0.604 HG11 ' HA ' ' A' 1126 ' ' ILE . 19.4 m -134.05 157.57 41.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.757 0.313 . . . . 0.0 110.446 178.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1073 ' ' LYS . . . . . 0.581 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.5 OUTLIER -126.11 137.28 53.59 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 177.9 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 1074 ' ' THR . . . . . 0.539 ' HA ' HG12 ' A' 1124 ' ' VAL . 63.9 p -74.46 119.49 18.73 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.174 0.512 . . . . 0.0 110.875 -176.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1075 ' ' ILE . . . . . 0.511 HD11 ' HB ' ' B' 1580 ' ' ILE . 10.5 pt -97.35 -0.94 10.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.789 0.804 . . . . 0.0 109.511 177.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1076 ' ' TYR . . . . . 0.703 ' HB2' ' HB3' ' A' 1123 ' ' PHE . 33.8 m-85 -146.33 173.96 11.79 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.258 -1.337 . . . . 0.0 110.878 178.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1077 ' ' ASP . . . . . 0.471 ' HB2' HG22 ' A' 1089 ' ' ILE . 7.2 p-10 -111.35 127.96 55.82 Favored 'General case' 0 N--CA 1.441 -0.925 0 CA-C-N 115.274 -0.875 . . . . 0.0 108.976 173.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1078 ' ' CYS . . . . . 0.727 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 43.6 t -135.26 145.94 48.09 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.904 -178.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1079 ' ' GLN . . . . . 0.544 ' HA ' HG22 ' A' 1087 ' ' THR . 60.9 tt0 -120.02 159.65 24.33 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.874 178.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1080 ' ' ALA . . . . . 0.568 ' HA ' ' HG2' ' A' 1085 ' ' GLU . . . -25.28 138.27 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 115.684 1.735 . . . . 0.0 115.684 178.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1081 ' ' ASP . . . . . 0.545 ' HB2' ' HD3' ' B' 1586 ' ' LYS . 32.2 t0 -112.02 -19.12 12.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.479 -1.237 . . . . 0.0 109.558 173.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1082 ' ' ASN . . . . . 0.586 ' HB3' HH21 ' B' 1589 ' ' ARG . 10.1 t-20 -161.02 -168.92 2.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.212 -174.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 19.2 t70 -69.08 -41.0 78.11 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 118.073 0.397 . . . . 0.0 111.61 -175.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -107.11 89.17 2.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.627 0.727 . . . . 0.0 110.556 -178.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1085 ' ' GLU . . . . . 0.568 ' HG2' ' HA ' ' A' 1080 ' ' ALA . 0.0 OUTLIER -133.76 -166.53 1.8 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.393 -179.563 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 1086 ' ' LEU . . . . . 0.456 HD12 ' CA ' ' A' 1116 ' ' LYS . 7.2 tt -144.58 106.27 4.28 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.227 171.088 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1087 ' ' THR . . . . . 0.544 HG22 ' HA ' ' A' 1079 ' ' GLN . 69.9 m -79.81 131.71 35.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.144 178.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1088 ' ' PHE . . . . . 0.614 ' HE2' ' HB2' ' A' 1119 ' ' PHE . 10.9 p90 -141.28 162.14 36.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.995 0.426 . . . . 0.0 111.242 -176.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1089 ' ' ILE . . . . . 0.56 HD12 ' HG2' ' A' 1092 ' ' GLU . 1.8 pp -127.16 154.72 37.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.894 176.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -55.38 122.63 11.61 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 123.555 0.534 . . . . 0.0 111.03 -176.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 117.0 -10.54 15.29 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.642 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1092 ' ' GLU . . . . . 0.56 ' HG2' HD12 ' A' 1089 ' ' ILE . 44.0 mm-40 -81.18 157.86 25.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.042 0.449 . . . . 0.0 111.365 177.097 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 87.4 t -122.42 126.54 74.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.497 178.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1094 ' ' ILE . . . . . 0.63 HG12 HD11 ' A' 1109 ' ' ILE . 12.8 mt -116.76 130.67 71.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-O 120.929 0.395 . . . . 0.0 110.829 -175.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 50.0 mm -90.38 105.28 16.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.407 175.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1096 ' ' VAL . . . . . 0.63 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 50.7 t -69.83 113.94 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.208 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 11.5 p -103.93 -19.02 14.37 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.737 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -159.83 -170.3 24.23 Favored Glycine 0 N--CA 1.442 -0.951 0 C-N-CA 120.419 -0.896 . . . . 0.0 112.624 -177.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1099 ' ' GLU . . . . . 0.402 ' HA ' ' HA ' ' A' 1105 ' ' TRP . 25.9 tt0 -152.6 131.83 12.77 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -177.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1100 ' ' GLU . . . . . 0.411 ' HG2' ' CB ' ' B' 1591 ' ' ALA . 18.9 tt0 -106.93 -40.62 5.42 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.106 -0.638 . . . . 0.0 109.51 -175.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1101 ' ' ASP . . . . . 0.404 ' OD2' ' HB2' ' A' 1104 ' ' TRP . 2.0 p30 -146.4 179.95 7.17 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 168.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -54.2 -42.6 69.92 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -173.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1103 ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' 1120 ' ' PRO . 32.3 tt0 -112.73 11.79 19.51 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.361 0.601 . . . . 0.0 110.286 -170.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1104 ' ' TRP . . . . . 0.573 ' CD1' ' HA ' ' B' 1589 ' ' ARG . 73.9 m95 -139.02 106.63 5.59 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.78 179.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1105 ' ' TRP . . . . . 0.416 ' O ' ' HA ' ' A' 1118 ' ' VAL . 46.3 m0 -108.11 167.38 10.04 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.907 -175.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 54.0 mt -115.94 134.54 58.94 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.936 -176.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1107 ' ' GLY . . . . . 0.421 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -174.1 -169.02 35.79 Favored Glycine 0 N--CA 1.438 -1.193 0 C-N-CA 120.129 -1.034 . . . . 0.0 112.249 178.41 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 17.4 p-80 -139.77 144.74 37.55 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.732 0.301 . . . . 0.0 110.441 -178.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1109 ' ' ILE . . . . . 0.63 HD11 HG12 ' A' 1094 ' ' ILE . 40.1 mm -60.86 131.22 25.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.248 178.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -64.12 -25.15 67.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.646 -177.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1111 ' ' GLY . . . . . 0.622 ' H ' HG22 ' A' 1109 ' ' ILE . . . -101.65 5.6 54.42 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.865 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -156.22 92.16 2.58 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1113 ' ' PRO . . . . . 0.451 ' O ' ' HE3' ' A' 1116 ' ' LYS . 48.3 Cg_endo -66.87 -17.55 51.87 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 123.013 2.475 . . . . 0.0 113.475 -173.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1114 ' ' GLU . . . . . 0.551 ' HA ' ' HE3' ' A' 1116 ' ' LYS . 17.4 mt-10 -89.5 -17.47 28.57 Favored 'General case' 0 CA--C 1.509 -0.596 0 CA-C-O 120.998 0.427 . . . . 0.0 110.732 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -83.91 89.66 7.26 Favored 'General case' 0 N--CA 1.439 -1.009 0 C-N-CA 120.254 -0.578 . . . . 0.0 109.579 175.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1116 ' ' LYS . . . . . 0.551 ' HE3' ' HA ' ' A' 1114 ' ' GLU . 0.1 OUTLIER -126.81 172.38 10.43 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.745 176.723 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 1117 ' ' GLY . . . . . 0.518 ' HA3' ' O ' ' A' 1085 ' ' GLU . . . 144.42 -159.49 27.75 Favored Glycine 0 N--CA 1.442 -0.963 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.732 179.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1118 ' ' VAL . . . . . 0.555 HG21 ' NH1' ' B' 1589 ' ' ARG . 2.1 t -103.51 127.07 57.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 120.851 0.358 . . . . 0.0 110.513 -177.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1119 ' ' PHE . . . . . 0.614 ' HB2' ' HE2' ' A' 1088 ' ' PHE . 23.4 p90 -124.33 142.83 41.21 Favored Pre-proline 0 C--N 1.319 -0.744 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.992 -177.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1120 ' ' PRO . . . . . 0.5 ' HG3' ' SG ' ' A' 1078 ' ' CYS . 55.7 Cg_endo -74.78 125.43 9.44 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.744 2.296 . . . . 0.0 112.594 -178.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1121 ' ' VAL . . . . . 0.534 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 75.9 t -64.28 -19.68 25.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.782 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1122 ' ' SER . . . . . 0.588 ' HB2' ' CD1' ' A' 1123 ' ' PHE . 1.2 m -59.83 -33.38 71.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.978 -179.458 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1123 ' ' PHE . . . . . 0.727 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.1 OUTLIER -104.69 4.57 32.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.839 0.352 . . . . 0.0 110.313 -172.408 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.539 HG12 ' HA ' ' A' 1074 ' ' THR . 16.4 m -128.54 157.3 41.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.885 0.374 . . . . 0.0 111.36 -178.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 52.7 t60 -117.48 129.75 56.01 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.158 0.504 . . . . 0.0 110.102 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1126 ' ' ILE . . . . . 0.604 ' HA ' HG11 ' A' 1072 ' ' VAL . 2.1 mp -75.02 128.29 36.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.485 -178.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1127 ' ' LEU . . . . . 0.581 HD11 ' HB2' ' A' 1073 ' ' LYS . 65.2 mt -110.92 62.89 0.61 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.739 -178.189 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 12.6 p -99.4 33.67 2.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.128 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 41.1 m-20 . . . . . 0 C--O 1.248 1.002 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.976 -179.47 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 74.7 m . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 120.985 0.422 . . . . 0.0 110.69 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B 1579 ' ' ILE . . . . . 0.46 HG22 ' CE1' ' A' 1076 ' ' TYR . 44.0 mm -84.05 113.96 23.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.481 178.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1580 ' ' ILE . . . . . 0.511 ' HB ' HD11 ' A' 1075 ' ' ILE . 1.6 mp -86.29 102.32 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.304 -179.084 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1581 ' ' SER . . . . . 0.47 ' HB2' ' O ' ' B' 1580 ' ' ILE . 49.6 m 75.03 -136.97 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.692 -174.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -124.42 156.94 36.29 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 172.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1583 ' ' MET . . . . . 0.633 ' HA ' ' CE1' ' A' 1076 ' ' TYR . 30.3 ttm -41.39 119.69 1.91 Allowed Pre-proline 0 CA--C 1.517 -0.305 0 O-C-N 124.044 0.84 . . . . 0.0 112.667 -168.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1584 ' ' PRO . . . . . 0.442 ' HD3' ' CZ ' ' A' 1076 ' ' TYR . 57.2 Cg_endo -71.91 171.92 15.63 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 122.522 2.148 . . . . 0.0 109.671 175.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 19.1 m -103.82 134.2 47.51 Favored 'General case' 0 C--N 1.306 -1.293 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.375 -175.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1586 ' ' LYS . . . . . 0.545 ' HD3' ' HB2' ' A' 1081 ' ' ASP . 35.6 ttmt -61.42 101.07 0.15 Allowed 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 172.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 16.3 p -73.65 6.32 3.22 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.858 -165.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1588 ' ' SER . . . . . . . . . . . . . 33.8 t 67.15 111.96 0.04 OUTLIER 'General case' 0 CA--C 1.516 -0.331 0 O-C-N 123.76 0.662 . . . . 0.0 109.488 -173.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B 1589 ' ' ARG . . . . . 0.586 HH21 ' HB3' ' A' 1082 ' ' ASN . 14.7 ttp180 -58.14 124.52 19.68 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.729 -178.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1590 ' ' LYS . . . . . 0.514 ' N ' ' HD2' ' B' 1590 ' ' LYS . 3.5 mptp? -71.31 -23.72 62.0 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.855 -173.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B 1591 ' ' ALA . . . . . 0.411 ' CB ' ' HG2' ' A' 1100 ' ' GLU . . . . . . . . 0 C--N 1.321 -0.643 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.149 178.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1070 ' ' ARG . . . . . 0.461 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 21.0 ttp180 . . . . . 0 N--CA 1.445 -0.694 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1071 ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' 1071 ' ' ARG . 46.2 ttt-85 -120.99 136.84 54.89 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.518 -172.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1072 ' ' VAL . . . . . 0.561 HG11 ' HA ' ' A' 1126 ' ' ILE . 34.9 m -130.78 152.65 37.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.903 0.382 . . . . 0.0 110.795 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1073 ' ' LYS . . . . . 0.569 ' HB2' HD12 ' A' 1127 ' ' LEU . 0.1 OUTLIER -115.57 135.31 54.2 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 177.01 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 1074 ' ' THR . . . . . 0.551 ' HA ' HG13 ' A' 1124 ' ' VAL . 51.2 p -74.66 111.51 9.93 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.491 0.662 . . . . 0.0 109.771 179.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1075 ' ' ILE . . . . . 0.681 HG13 ' CD2' ' A' 1076 ' ' TYR . 19.8 pt -96.21 -3.44 10.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.812 0.815 . . . . 0.0 109.943 -178.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1076 ' ' TYR . . . . . 0.681 ' CD2' HG13 ' A' 1075 ' ' ILE . 98.6 m-85 -139.48 -179.13 5.72 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.123 -1.399 . . . . 0.0 109.848 176.39 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 4.5 p30 -116.27 135.3 54.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.829 174.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1078 ' ' CYS . . . . . 0.716 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 38.7 t -140.32 148.69 41.74 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.031 -176.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1079 ' ' GLN . . . . . 0.566 ' HA ' HG22 ' A' 1087 ' ' THR . 39.9 tt0 -127.25 143.37 51.26 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.745 0.783 . . . . 0.0 112.05 -178.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1080 ' ' ALA . . . . . 0.512 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -72.63 142.94 48.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.24 -1.345 . . . . 0.0 112.54 -174.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -91.2 -44.24 9.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.244 172.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 5.7 m120 -118.07 174.67 6.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.175 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.69 -30.12 68.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.788 0.328 . . . . 0.0 111.724 -176.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 33.7 t70 -75.84 -10.79 59.73 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.481 -173.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1085 ' ' GLU . . . . . 0.512 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 4.9 mm-40 -79.65 -175.54 4.88 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 178.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1086 ' ' LEU . . . . . 0.524 HD13 ' CA ' ' A' 1116 ' ' LYS . 5.4 tt -136.61 111.55 8.89 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.978 0.418 . . . . 0.0 110.835 178.283 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1087 ' ' THR . . . . . 0.566 HG22 ' HA ' ' A' 1079 ' ' GLN . 63.8 m -80.4 122.36 26.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.062 174.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1088 ' ' PHE . . . . . 0.738 ' HZ ' ' HB2' ' A' 1123 ' ' PHE . 5.7 p90 -135.46 153.14 51.86 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.32 178.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1089 ' ' ILE . . . . . 0.568 ' H ' HD12 ' A' 1089 ' ' ILE . 0.2 OUTLIER -117.37 158.63 17.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 174.769 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -55.64 123.38 13.88 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 123.559 0.537 . . . . 0.0 110.491 -177.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 117.35 -9.42 15.15 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.687 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -81.89 153.23 26.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.117 0.484 . . . . 0.0 110.91 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1093 ' ' VAL . . . . . 0.498 HG22 ' HG2' ' A' 1073 ' ' LYS . 63.2 t -119.42 127.17 75.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.551 176.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1094 ' ' ILE . . . . . 0.626 HG12 HD11 ' A' 1109 ' ' ILE . 20.9 mt -114.49 134.83 56.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.972 0.415 . . . . 0.0 111.093 -175.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 49.9 mm -93.17 117.85 37.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 173.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1096 ' ' VAL . . . . . 0.461 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 50.9 t -78.59 115.59 21.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.976 0.417 . . . . 0.0 110.483 -176.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1097 ' ' THR . . . . . 0.563 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 9.6 p -104.39 -12.04 16.78 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.955 -179.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -165.97 -178.28 38.72 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.242 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1099 ' ' GLU . . . . . 0.473 ' HG3' ' CD1' ' A' 1105 ' ' TRP . 47.7 tt0 -147.63 129.68 15.43 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -178.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1100 ' ' GLU . . . . . 0.75 ' HG2' ' HE ' ' B' 1589 ' ' ARG . 7.0 tp10 -103.72 -51.65 3.14 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.659 -177.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1101 ' ' ASP . . . . . 0.424 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 21.2 t70 -138.61 175.81 9.24 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -179.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -60.97 -38.62 86.58 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.119 0.485 . . . . 0.0 109.744 177.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1103 ' ' GLU . . . . . 0.631 ' HA ' ' HB ' ' A' 1121 ' ' VAL . 5.0 mm-40 -100.86 8.14 43.32 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.548 -177.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1104 ' ' TRP . . . . . 0.462 ' CD1' ' HA ' ' B' 1589 ' ' ARG . 92.7 m95 -141.59 101.89 4.07 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.048 0.451 . . . . 0.0 111.708 -176.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1105 ' ' TRP . . . . . 0.473 ' CD1' ' HG3' ' A' 1099 ' ' GLU . 45.5 m0 -106.34 164.08 12.31 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.787 178.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1106 ' ' ILE . . . . . 0.839 HG12 HG22 ' A' 1118 ' ' VAL . 54.6 mt -115.75 135.96 54.17 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.772 -175.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1107 ' ' GLY . . . . . 0.563 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -177.55 -158.54 20.82 Favored Glycine 0 N--CA 1.439 -1.159 0 C-N-CA 119.523 -1.322 . . . . 0.0 113.043 177.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 13.0 p-80 -151.11 151.47 32.0 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -178.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1109 ' ' ILE . . . . . 0.626 HD11 HG12 ' A' 1094 ' ' ILE . 47.8 mm -61.06 133.1 26.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 O-C-N 123.293 0.371 . . . . 0.0 110.395 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -50.65 -59.59 3.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 123.296 0.372 . . . . 0.0 111.86 -172.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -89.11 5.45 84.36 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.726 -0.75 . . . . 0.0 113.258 -177.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1112 ' ' GLN . . . . . 0.424 ' O ' ' HB ' ' A' 1109 ' ' ILE . 9.5 tt0 -147.56 78.97 9.77 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 121.513 0.673 . . . . 0.0 110.009 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -61.06 -26.89 83.64 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 123.841 3.027 . . . . 0.0 114.994 -172.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -73.15 -14.92 61.46 Favored 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 120.122 -0.631 . . . . 0.0 112.024 -178.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -81.91 90.28 6.44 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 166.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1116 ' ' LYS . . . . . 0.524 ' CA ' HD13 ' A' 1086 ' ' LEU . 50.8 pttt -137.74 155.34 49.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.167 -171.344 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 149.07 -166.62 29.43 Favored Glycine 0 N--CA 1.44 -1.063 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.218 -178.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1118 ' ' VAL . . . . . 0.839 HG22 HG12 ' A' 1106 ' ' ILE . 16.8 t -96.54 126.29 49.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 121.105 0.478 . . . . 0.0 110.417 178.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1119 ' ' PHE . . . . . 0.617 ' HB2' ' HE2' ' A' 1088 ' ' PHE . 25.3 p90 -121.1 149.24 50.97 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.807 -174.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1120 ' ' PRO . . . . . 0.608 ' HA ' ' O ' ' A' 1103 ' ' GLU . 64.4 Cg_endo -79.18 122.85 5.37 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 122.406 2.07 . . . . 0.0 112.909 -178.254 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1121 ' ' VAL . . . . . 0.631 ' HB ' ' HA ' ' A' 1103 ' ' GLU . 8.3 t -58.48 -25.65 28.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 114.548 -1.205 . . . . 0.0 110.445 176.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1122 ' ' SER . . . . . 0.568 ' HB2' ' HD1' ' A' 1123 ' ' PHE . 0.7 OUTLIER -58.48 -29.19 66.02 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.344 178.625 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 1123 ' ' PHE . . . . . 0.738 ' HB2' ' HZ ' ' A' 1088 ' ' PHE . 0.8 OUTLIER -107.35 3.27 25.16 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.959 0.409 . . . . 0.0 111.413 -173.303 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.551 HG13 ' HA ' ' A' 1074 ' ' THR . 10.8 m -129.63 162.56 36.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.757 0.313 . . . . 0.0 111.014 -177.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1125 ' ' HIS . . . . . 0.527 ' HB2' HD13 ' A' 1075 ' ' ILE . 80.3 t60 -126.87 132.45 50.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.866 0.365 . . . . 0.0 110.104 -178.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1126 ' ' ILE . . . . . 0.561 ' HA ' HG11 ' A' 1072 ' ' VAL . 1.9 mp -72.65 123.33 27.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.432 -177.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1127 ' ' LEU . . . . . 0.569 HD12 ' HB2' ' A' 1073 ' ' LYS . 89.2 mt -102.02 15.81 27.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.015 -177.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 49.0 m -89.33 19.72 4.24 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.592 0.71 . . . . 0.0 109.822 174.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 6.0 t70 . . . . . 0 C--O 1.245 0.841 0 CA-C-N 114.875 -1.057 . . . . 0.0 108.92 177.424 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 36.9 t . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 15.3 mt -66.55 121.19 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-O 121.054 0.454 . . . . 0.0 109.821 172.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1580 ' ' ILE . . . . . 0.522 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.5 mp -72.88 111.81 7.91 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.815 177.143 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 49.2 m 58.84 -154.86 0.36 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.87 0.367 . . . . 0.0 111.382 174.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -87.99 149.43 24.03 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 171.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1583 ' ' MET . . . . . 0.555 ' HA ' ' CE1' ' A' 1076 ' ' TYR . 9.3 ttm -63.59 136.22 96.61 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.061 -174.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B 1584 ' ' PRO . . . . . 0.674 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 77.2 Cg_endo -78.52 -176.12 3.1 Favored 'Trans proline' 0 N--CA 1.451 -1.023 0 C-N-CA 123.132 2.555 . . . . 0.0 110.036 175.057 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 60.8 m -116.54 141.97 47.48 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1586 ' ' LYS . . . . . . . . . . . . . 4.3 tttt -55.8 107.18 0.32 Allowed 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.472 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 6.2 m -75.13 77.06 2.29 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.331 -0.849 . . . . 0.0 109.46 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1588 ' ' SER . . . . . . . . . . . . . 49.6 m -27.9 116.62 0.09 Allowed 'General case' 0 N--CA 1.469 0.481 0 O-C-N 124.542 1.151 . . . . 0.0 113.339 -170.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B 1589 ' ' ARG . . . . . 0.75 ' HE ' ' HG2' ' A' 1100 ' ' GLU . 45.5 ttt180 -46.73 110.14 0.26 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.45 -1.25 . . . . 0.0 111.625 -176.344 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B 1590 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.33 -25.54 64.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.937 -170.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.706 -177.607 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 1070 ' ' ARG . . . . . 0.674 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 10.0 ttm180 . . . . . 0 C--O 1.221 -0.412 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -120.78 130.48 54.02 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 121.79 -0.568 . . . . 0.0 111.265 -179.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1072 ' ' VAL . . . . . 0.535 HG11 ' HA ' ' A' 1126 ' ' ILE . 33.9 m -129.83 143.69 40.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.034 175.201 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1073 ' ' LYS . . . . . 0.6 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.4 OUTLIER -111.77 131.44 55.32 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 177.817 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 1074 ' ' THR . . . . . 0.587 ' HA ' HG11 ' A' 1124 ' ' VAL . 67.9 p -71.56 124.5 24.82 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.323 -177.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1075 ' ' ILE . . . . . 0.632 ' HA ' ' OE1' ' A' 1090 ' ' GLU . 12.0 pt -106.47 9.74 9.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.855 0.836 . . . . 0.0 110.256 -179.047 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1076 ' ' TYR . . . . . 0.804 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 87.3 m-85 -157.55 166.29 33.3 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 113.942 -1.481 . . . . 0.0 110.599 -175.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1077 ' ' ASP . . . . . 0.418 ' HA ' ' HA ' ' A' 1089 ' ' ILE . 1.0 OUTLIER -101.11 120.9 40.89 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.239 174.257 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 1078 ' ' CYS . . . . . 0.596 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 50.9 t -129.54 146.52 51.35 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 110.259 -0.275 . . . . 0.0 110.259 -176.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1079 ' ' GLN . . . . . 0.557 ' HA ' HG21 ' A' 1087 ' ' THR . 7.6 tt0 -124.37 141.65 51.91 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.929 0.871 . . . . 0.0 112.142 -179.518 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1080 ' ' ALA . . . . . 0.486 ' HB3' ' HB2' ' A' 1085 ' ' GLU . . . -70.66 146.0 50.25 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 113.968 -1.469 . . . . 0.0 112.528 -176.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 25.0 t70 -96.91 -45.44 6.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.149 171.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1082 ' ' ASN . . . . . 0.432 ' O ' ' HB3' ' A' 1080 ' ' ALA . 13.8 m120 -92.68 156.79 16.83 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.992 170.529 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.27 -18.62 64.58 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.463 177.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 30.1 t70 -88.37 -7.64 56.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.899 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1085 ' ' GLU . . . . . 0.486 ' HB2' ' HB3' ' A' 1080 ' ' ALA . 42.6 mt-10 -82.18 162.37 22.45 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 175.13 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1086 ' ' LEU . . . . . 0.58 ' HB3' ' HB3' ' A' 1119 ' ' PHE . 13.4 tp -103.95 121.8 43.89 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 120.735 0.302 . . . . 0.0 111.537 -176.075 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1087 ' ' THR . . . . . 0.557 HG21 ' HA ' ' A' 1079 ' ' GLN . 61.2 m -92.68 116.71 29.26 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 170.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1088 ' ' PHE . . . . . 0.655 ' HE2' ' HD2' ' A' 1120 ' ' PRO . 21.7 p90 -134.4 159.12 42.04 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.777 -176.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1089 ' ' ILE . . . . . 0.6 HD11 ' H ' ' A' 1089 ' ' ILE . 0.2 OUTLIER -122.73 147.55 26.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 -177.659 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 1090 ' ' GLU . . . . . 0.632 ' OE1' ' HA ' ' A' 1075 ' ' ILE . 0.8 OUTLIER -60.13 129.02 39.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.124 0.487 . . . . 0.0 111.018 -175.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 109.11 -5.11 31.89 Favored Glycine 0 N--CA 1.45 -0.38 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 -175.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1092 ' ' GLU . . . . . 0.406 ' HG3' HD11 ' A' 1109 ' ' ILE . 7.0 tp10 -89.75 161.43 16.05 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.618 -0.791 . . . . 0.0 109.924 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 60.9 t -128.64 130.38 68.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.948 -176.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1094 ' ' ILE . . . . . 0.473 HG21 ' CE1' ' A' 1119 ' ' PHE . 11.0 mt -116.8 129.66 72.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.954 0.407 . . . . 0.0 110.889 -177.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 46.8 mm -89.4 105.72 16.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 172.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1096 ' ' VAL . . . . . 0.674 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 58.8 t -69.52 117.57 12.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.125 -179.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1097 ' ' THR . . . . . 0.506 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 3.6 p -100.57 -22.09 15.08 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.585 178.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -161.02 -175.61 32.24 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.491 -178.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -141.89 141.17 33.02 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 -178.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1100 ' ' GLU . . . . . 0.505 ' HB2' HD13 ' A' 1106 ' ' ILE . 44.5 tt0 -120.6 -41.65 2.58 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.762 0.791 . . . . 0.0 108.956 178.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1101 ' ' ASP . . . . . 0.683 ' OD2' ' HG2' ' B' 1590 ' ' LYS . 5.9 t70 -121.9 174.85 6.62 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.556 -1.202 . . . . 0.0 108.266 -178.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -72.01 -37.47 69.78 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 170.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -108.22 10.65 27.81 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.892 -174.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1104 ' ' TRP . . . . . 0.669 ' HB2' ' CB ' ' A' 1101 ' ' ASP . 73.4 m95 -141.44 109.66 5.88 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.425 0.631 . . . . 0.0 110.921 179.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1105 ' ' TRP . . . . . 0.576 ' CH2' HD12 ' A' 1126 ' ' ILE . 44.8 m0 -110.72 165.33 11.92 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.341 -177.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1106 ' ' ILE . . . . . 0.505 HD13 ' HB2' ' A' 1100 ' ' GLU . 42.8 mt -116.87 136.68 53.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.69 -174.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1107 ' ' GLY . . . . . 0.506 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . 179.33 -164.6 32.83 Favored Glycine 0 N--CA 1.441 -1.03 0 C-N-CA 119.887 -1.149 . . . . 0.0 112.741 178.154 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -139.25 151.12 46.25 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -176.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1109 ' ' ILE . . . . . 0.622 ' HB ' ' HB2' ' A' 1112 ' ' GLN . 34.2 mm -65.33 138.34 23.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.142 0.496 . . . . 0.0 110.661 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.59 -41.57 94.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.7 -178.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1111 ' ' GLY . . . . . 0.421 ' H ' HG21 ' A' 1109 ' ' ILE . . . -96.48 -0.87 60.82 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.504 179.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1112 ' ' GLN . . . . . 0.622 ' HB2' ' HB ' ' A' 1109 ' ' ILE . 78.9 mm-40 -141.15 79.64 17.7 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-O 121.075 0.464 . . . . 0.0 110.18 -178.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.63 -20.43 53.25 Favored 'Trans proline' 0 C--O 1.23 0.111 0 C-N-CA 123.482 2.788 . . . . 0.0 113.122 -174.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -88.95 -2.86 58.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.562 0.696 . . . . 0.0 110.269 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -104.27 90.22 3.49 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.602 174.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1116 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.25 173.28 7.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.931 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 150.2 -169.52 30.21 Favored Glycine 0 N--CA 1.443 -0.838 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.03 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1118 ' ' VAL . . . . . 0.496 HG22 HG12 ' A' 1106 ' ' ILE . 8.7 t -99.93 119.67 48.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.994 0.426 . . . . 0.0 110.156 179.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1119 ' ' PHE . . . . . 0.613 ' HZ ' HG22 ' A' 1096 ' ' VAL . 14.8 p90 -111.87 141.95 25.78 Favored Pre-proline 0 C--N 1.316 -0.862 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.368 -176.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1120 ' ' PRO . . . . . 0.655 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 59.3 Cg_endo -74.27 125.46 9.73 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 122.863 2.375 . . . . 0.0 111.891 177.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1121 ' ' VAL . . . . . 0.584 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 48.1 t -64.52 -15.87 18.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.604 0.716 . . . . 0.0 109.679 176.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1122 ' ' SER . . . . . 0.599 ' HB2' ' HD1' ' A' 1123 ' ' PHE . 1.0 OUTLIER -59.28 -31.36 69.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.8 178.683 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 1123 ' ' PHE . . . . . 0.599 ' HD1' ' HB2' ' A' 1122 ' ' SER . 0.9 OUTLIER -110.41 6.56 22.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.941 0.401 . . . . 0.0 111.148 -173.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.587 HG11 ' HA ' ' A' 1074 ' ' THR . 18.2 m -129.57 159.3 41.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.931 -178.031 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 81.2 t60 -119.71 129.21 54.41 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1126 ' ' ILE . . . . . 0.576 HD12 ' CH2' ' A' 1105 ' ' TRP . 62.3 mt -85.87 137.77 20.26 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.705 -171.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1127 ' ' LEU . . . . . 0.6 HD11 ' HB2' ' A' 1073 ' ' LYS . 27.6 mt -122.45 85.77 2.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.47 0.653 . . . . 0.0 110.771 -174.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 8.6 t -87.9 10.96 16.98 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.008 177.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 35.3 t70 . . . . . 0 C--O 1.248 1.02 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.76 179.728 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 68.9 m . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 22.2 mt -56.65 123.36 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.258 0.552 . . . . 0.0 110.796 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1580 ' ' ILE . . . . . 0.522 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.5 mp -72.99 120.04 20.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.734 176.154 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B 1581 ' ' SER . . . . . 0.422 ' HB2' ' HH ' ' A' 1076 ' ' TYR . 37.2 m 55.78 -147.71 0.51 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.671 0.272 . . . . 0.0 111.079 174.465 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -97.06 148.33 23.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.892 0.377 . . . . 0.0 110.038 171.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1583 ' ' MET . . . . . 0.461 ' HA ' ' CE1' ' A' 1076 ' ' TYR . 5.5 ttm -57.81 133.17 83.04 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.389 -176.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B 1584 ' ' PRO . . . . . 0.804 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 1.2 Cg_endo -82.46 -174.13 1.97 Allowed 'Trans proline' 0 N--CA 1.445 -1.343 0 C-N-CA 123.247 2.631 . . . . 0.0 111.268 176.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 24.0 m -125.3 139.3 53.82 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 179.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1586 ' ' LYS . . . . . 0.477 ' C ' ' H ' ' B' 1588 ' ' SER . 40.9 ttmt -48.89 111.22 0.44 Allowed 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.581 0.551 . . . . 0.0 110.592 179.02 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 6.3 m -74.63 17.8 0.19 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.773 -175.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B 1588 ' ' SER . . . . . 0.477 ' H ' ' C ' ' B' 1586 ' ' LYS . 16.0 m 66.31 143.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.957 0.884 . . . . 0.0 111.594 -177.109 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B 1589 ' ' ARG . . . . . 0.5 ' HD2' ' OE1' ' A' 1100 ' ' GLU . 7.3 ttp180 -90.74 120.59 31.91 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 173.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B 1590 ' ' LYS . . . . . 0.683 ' HG2' ' OD2' ' A' 1101 ' ' ASP . 2.9 mmtt -76.24 -21.63 56.13 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -175.198 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.396 172.197 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 1070 ' ' ARG . . . . . 0.547 ' HG3' ' HB2' ' A' 1128 ' ' SER . 54.0 ttp180 . . . . . 0 C--O 1.224 -0.257 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1071 ' ' ARG . . . . . 0.403 ' HG2' HD13 ' A' 1095 ' ' ILE . 70.3 mtt180 -105.98 143.98 33.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.169 0.509 . . . . 0.0 112.057 -177.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1072 ' ' VAL . . . . . 0.519 HG11 ' HA ' ' A' 1126 ' ' ILE . 30.7 m -130.14 143.98 39.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.215 -0.902 . . . . 0.0 108.86 169.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1073 ' ' LYS . . . . . 0.513 ' HG2' HG23 ' A' 1093 ' ' VAL . 0.1 OUTLIER -113.2 132.72 55.38 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.108 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 1074 ' ' THR . . . . . 0.554 ' HA ' HG11 ' A' 1124 ' ' VAL . 44.4 p -73.71 120.5 19.39 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.247 0.546 . . . . 0.0 110.813 -176.273 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1075 ' ' ILE . . . . . 0.568 HG13 ' CD2' ' A' 1076 ' ' TYR . 17.1 pt -100.82 -3.49 9.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.458 -178.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1076 ' ' TYR . . . . . 0.754 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 94.5 m-85 -142.15 170.7 15.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.808 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1077 ' ' ASP . . . . . 0.414 ' HA ' ' HA ' ' A' 1089 ' ' ILE . 21.3 m-20 -99.51 109.45 21.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.354 174.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1078 ' ' CYS . . . . . 0.554 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 40.9 t -115.51 137.9 51.59 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.485 -177.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1079 ' ' GLN . . . . . 0.585 ' HA ' HG21 ' A' 1087 ' ' THR . 45.8 tt0 -124.59 145.68 49.47 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.91 0.862 . . . . 0.0 111.827 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1080 ' ' ALA . . . . . 0.519 ' HB2' ' HB2' ' A' 1085 ' ' GLU . . . -88.44 144.14 26.55 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.41 -1.268 . . . . 0.0 111.508 -176.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 38.1 t70 -103.53 -27.31 12.44 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 173.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 14.6 m120 -110.83 151.3 27.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.05 175.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -65.37 -20.93 66.61 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.765 -175.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 30.5 t70 -85.13 -12.82 51.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1085 ' ' GLU . . . . . 0.519 ' HB2' ' HB2' ' A' 1080 ' ' ALA . 72.7 mt-10 -87.66 153.47 21.35 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.256 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1086 ' ' LEU . . . . . 0.434 HD21 ' HB3' ' A' 1119 ' ' PHE . 16.0 tp -97.51 132.66 42.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.427 -178.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1087 ' ' THR . . . . . 0.585 HG21 ' HA ' ' A' 1079 ' ' GLN . 84.9 m -100.86 120.89 40.8 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 171.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1088 ' ' PHE . . . . . 0.536 ' CE1' ' HD2' ' A' 1120 ' ' PRO . 20.2 p90 -142.74 134.18 26.35 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.334 -177.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1089 ' ' ILE . . . . . 0.414 ' HA ' ' HA ' ' A' 1077 ' ' ASP . 2.0 pp -97.72 159.14 3.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.002 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -58.68 122.94 14.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.155 -178.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 116.59 -7.22 17.99 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.519 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1092 ' ' GLU . . . . . 0.419 ' HA ' ' OE1' ' A' 1092 ' ' GLU . 3.9 mm-40 -85.9 156.03 20.69 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.278 0.561 . . . . 0.0 111.727 177.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1093 ' ' VAL . . . . . 0.513 HG23 ' HG2' ' A' 1073 ' ' LYS . 60.4 t -119.41 130.35 74.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.055 175.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1094 ' ' ILE . . . . . 0.781 HG12 HG12 ' A' 1109 ' ' ILE . 29.7 mt -116.7 134.42 60.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.333 -177.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1095 ' ' ILE . . . . . 0.403 HD13 ' HG2' ' A' 1071 ' ' ARG . 47.5 mm -88.53 110.15 20.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 175.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1096 ' ' VAL . . . . . 0.531 HG21 ' HZ ' ' A' 1119 ' ' PHE . 22.7 t -78.69 114.6 19.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.781 -176.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1097 ' ' THR . . . . . 0.584 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 3.3 p -98.73 -21.85 16.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.209 179.007 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -161.02 -169.08 23.79 Favored Glycine 0 N--CA 1.443 -0.857 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1099 ' ' GLU . . . . . 0.563 ' HA ' ' HA ' ' A' 1105 ' ' TRP . 0.2 OUTLIER -157.25 150.53 23.85 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.478 0.656 . . . . 0.0 109.78 175.378 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 1100 ' ' GLU . . . . . 0.798 ' HG2' ' HE ' ' B' 1589 ' ' ARG . 7.6 tp10 -107.72 -50.48 3.06 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.053 -175.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1101 ' ' ASP . . . . . 0.494 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 29.4 t70 -125.76 172.94 9.4 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.373 -1.285 . . . . 0.0 107.604 176.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -63.0 -32.71 74.12 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.706 0.765 . . . . 0.0 109.116 175.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -102.72 1.57 34.59 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.318 -1.31 . . . . 0.0 111.34 -175.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1104 ' ' TRP . . . . . 0.494 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 77.9 m95 -135.91 99.52 4.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.134 -0.354 . . . . 0.0 111.234 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1105 ' ' TRP . . . . . 0.563 ' HA ' ' HA ' ' A' 1099 ' ' GLU . 39.7 m0 -100.98 162.61 12.77 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.505 -178.483 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 28.5 mt -119.79 140.35 44.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.83 -176.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1107 ' ' GLY . . . . . 0.584 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -178.4 -162.21 27.7 Favored Glycine 0 N--CA 1.44 -1.099 0 C-N-CA 119.299 -1.429 . . . . 0.0 113.245 175.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -138.09 137.25 37.57 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1109 ' ' ILE . . . . . 0.781 HG12 HG12 ' A' 1094 ' ' ILE . 6.7 mt -65.43 141.04 18.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-O 121.396 0.617 . . . . 0.0 112.243 -173.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -71.28 125.7 27.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.79 -175.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.55 -40.93 2.55 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.791 -0.718 . . . . 0.0 111.508 -177.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1112 ' ' GLN . . . . . 0.425 ' HB3' ' HD3' ' A' 1115 ' ' ARG . 1.5 mp0 -115.89 81.77 10.07 Favored Pre-proline 0 C--N 1.327 -0.399 0 N-CA-C 110.508 -0.182 . . . . 0.0 110.508 177.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -67.73 -3.22 9.94 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.904 2.403 . . . . 0.0 112.069 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -76.03 -27.56 57.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.114 175.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1115 ' ' ARG . . . . . 0.425 ' HD3' ' HB3' ' A' 1112 ' ' GLN . 3.8 mpt_? -90.4 90.46 8.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.217 178.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1116 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.38 156.58 28.71 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 174.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 163.21 -168.38 37.92 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.195 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1118 ' ' VAL . . . . . . . . . . . . . 13.8 t -105.84 117.33 51.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1119 ' ' PHE . . . . . 0.531 ' HZ ' HG21 ' A' 1096 ' ' VAL . 12.6 p90 -110.14 138.85 20.93 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.894 -0.593 . . . . 0.0 112.162 -176.496 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1120 ' ' PRO . . . . . 0.536 ' HD2' ' CE1' ' A' 1088 ' ' PHE . 53.9 Cg_endo -72.3 127.7 12.95 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 123.143 2.562 . . . . 0.0 112.211 175.044 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1121 ' ' VAL . . . . . 0.608 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 73.0 t -66.3 -13.48 16.09 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 121.594 0.711 . . . . 0.0 109.704 176.461 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1122 ' ' SER . . . . . 0.498 ' HB2' ' CD1' ' A' 1123 ' ' PHE . 0.9 OUTLIER -61.02 -25.84 67.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.703 178.916 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 1123 ' ' PHE . . . . . 0.554 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 1.0 OUTLIER -115.39 5.79 14.66 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.854 0.359 . . . . 0.0 111.137 -175.394 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.608 ' CG2' ' HA ' ' A' 1121 ' ' VAL . 16.4 m -131.13 154.61 40.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 121.092 0.472 . . . . 0.0 111.646 -178.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -118.38 133.05 56.2 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 178.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1126 ' ' ILE . . . . . 0.519 ' HA ' HG11 ' A' 1072 ' ' VAL . 67.5 mt -83.12 129.37 37.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.094 0.474 . . . . 0.0 111.795 -171.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 8.0 mp -94.67 -41.64 9.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.653 -175.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 1128 ' ' SER . . . . . 0.547 ' HB2' ' HG3' ' A' 1070 ' ' ARG . 23.8 m -78.75 62.93 3.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.364 0.602 . . . . 0.0 110.515 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 12.8 t70 . . . . . 0 C--O 1.245 0.864 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.486 179.637 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 39.5 m . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 10.6 mt -71.75 123.68 26.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.279 0.561 . . . . 0.0 110.277 177.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1580 ' ' ILE . . . . . 0.422 ' O ' ' CE1' ' A' 1076 ' ' TYR . 1.6 mp -71.19 127.65 33.4 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.615 175.478 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 35.4 m 48.84 -143.72 0.47 Allowed 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 173.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -104.8 143.85 32.56 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 173.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1583 ' ' MET . . . . . 0.586 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 3.2 ttm -50.1 136.64 21.46 Favored Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -174.006 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B 1584 ' ' PRO . . . . . 0.754 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 87.3 Cg_endo -88.18 -174.84 1.22 Allowed 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 123.738 2.959 . . . . 0.0 110.999 177.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 28.0 m -126.05 135.18 51.46 Favored 'General case' 0 C--N 1.307 -1.282 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -178.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1586 ' ' LYS . . . . . 0.421 ' C ' ' H ' ' B' 1588 ' ' SER . 28.1 ttpt -54.44 107.59 0.3 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 176.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 5.1 m -70.91 3.78 3.07 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.485 -174.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B 1588 ' ' SER . . . . . 0.421 ' H ' ' C ' ' B' 1586 ' ' LYS . 26.1 t 71.93 149.38 0.09 Allowed 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.477 -178.207 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B 1589 ' ' ARG . . . . . 0.798 ' HE ' ' HG2' ' A' 1100 ' ' GLU . 38.9 ttt180 -93.05 119.29 32.13 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.796 -176.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B 1590 ' ' LYS . . . . . 0.416 ' H ' ' HD2' ' B' 1590 ' ' LYS . 7.7 mptt -65.48 -11.1 40.15 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.352 -174.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.59 179.397 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 1070 ' ' ARG . . . . . 0.71 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 21.8 ttm180 . . . . . 0 C--O 1.222 -0.394 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 55.0 ttt-85 -98.24 127.7 44.31 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 120.25 -0.58 . . . . 0.0 111.122 -172.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1072 ' ' VAL . . . . . 0.573 HG11 ' HA ' ' A' 1126 ' ' ILE . 18.7 m -128.53 152.59 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.92 176.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1073 ' ' LYS . . . . . 0.546 ' HB2' HD12 ' A' 1127 ' ' LEU . 0.3 OUTLIER -120.36 134.27 55.3 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 177.654 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 1074 ' ' THR . . . . . 0.592 ' HA ' HG11 ' A' 1124 ' ' VAL . 65.4 p -71.43 115.83 11.05 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.455 0.645 . . . . 0.0 110.275 -177.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1075 ' ' ILE . . . . . 0.531 HD12 ' HB ' ' B' 1580 ' ' ILE . 11.1 pt -98.27 1.2 10.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-O 121.514 0.673 . . . . 0.0 109.714 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1076 ' ' TYR . . . . . 0.675 ' HB2' ' HB3' ' A' 1123 ' ' PHE . 32.5 m-85 -146.82 172.52 13.52 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.541 -1.209 . . . . 0.0 112.005 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -107.99 114.76 28.92 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.531 -1.213 . . . . 0.0 108.398 178.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1078 ' ' CYS . . . . . 0.609 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 47.0 t -126.32 145.43 50.44 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.999 0.428 . . . . 0.0 110.369 -177.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1079 ' ' GLN . . . . . 0.549 ' HA ' HG22 ' A' 1087 ' ' THR . 65.0 tt0 -126.78 145.63 50.55 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.224 -177.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1080 ' ' ALA . . . . . 0.515 ' CB ' ' HB2' ' A' 1085 ' ' GLU . . . -66.13 143.42 57.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.384 -1.28 . . . . 0.0 112.365 -177.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1081 ' ' ASP . . . . . 0.537 ' CG ' ' HZ2' ' B' 1586 ' ' LYS . 14.9 m-20 -86.94 -35.5 18.87 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.688 173.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -134.99 178.47 7.0 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.813 -176.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 22.7 t70 -61.15 -40.3 93.32 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -172.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -94.83 51.98 1.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.232 0.539 . . . . 0.0 111.619 -173.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1085 ' ' GLU . . . . . 0.515 ' HB2' ' CB ' ' A' 1080 ' ' ALA . 9.2 mm-40 -129.35 -173.69 3.07 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 174.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1086 ' ' LEU . . . . . 0.749 HD21 ' HB3' ' A' 1119 ' ' PHE . 15.8 tp -124.2 123.8 41.06 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.805 0.336 . . . . 0.0 111.34 176.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1087 ' ' THR . . . . . 0.549 HG22 ' HA ' ' A' 1079 ' ' GLN . 88.6 m -97.13 120.66 37.9 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 170.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1088 ' ' PHE . . . . . 0.773 ' HE2' ' HD2' ' A' 1120 ' ' PRO . 19.6 p90 -133.6 152.08 51.82 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 -178.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1089 ' ' ILE . . . . . 0.548 HD11 ' H ' ' A' 1089 ' ' ILE . 0.2 OUTLIER -118.8 157.43 20.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.974 0.416 . . . . 0.0 110.87 178.547 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -61.21 125.19 22.87 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.817 -172.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 116.08 -10.49 17.78 Favored Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.008 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -84.95 158.26 20.58 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.123 0.487 . . . . 0.0 111.377 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1093 ' ' VAL . . . . . 0.497 HG22 ' HG2' ' A' 1073 ' ' LYS . 63.3 t -121.94 125.89 73.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.073 178.212 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1094 ' ' ILE . . . . . 0.655 HG12 HG12 ' A' 1109 ' ' ILE . 44.7 mt -114.45 134.69 56.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.404 -176.13 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 51.2 mm -94.58 108.53 20.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 176.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1096 ' ' VAL . . . . . 0.71 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 99.2 t -70.19 124.53 26.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.316 -178.618 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 14.8 p -111.95 -25.78 9.23 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.119 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -148.29 -176.09 21.46 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.507 -176.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1099 ' ' GLU . . . . . 0.413 ' HA ' ' HA ' ' A' 1105 ' ' TRP . 18.8 tt0 -153.96 129.53 9.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.839 0.352 . . . . 0.0 110.658 -175.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1100 ' ' GLU . . . . . 0.45 ' HG2' HD11 ' A' 1106 ' ' ILE . 23.3 mm-40 -106.56 -50.77 3.06 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.485 0.66 . . . . 0.0 109.958 178.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1101 ' ' ASP . . . . . 0.747 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 19.6 t70 -133.55 174.37 10.5 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.738 -174.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -60.15 -38.86 84.41 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1103 ' ' GLU . . . . . 0.621 ' O ' ' HA ' ' A' 1120 ' ' PRO . 13.0 mt-10 -112.45 21.19 15.95 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.166 -179.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1104 ' ' TRP . . . . . 0.747 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 94.5 m95 -141.92 100.57 3.77 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.182 0.515 . . . . 0.0 111.395 -179.089 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1105 ' ' TRP . . . . . 0.437 ' CZ3' ' HD2' ' A' 1070 ' ' ARG . 44.9 m0 -111.35 163.89 13.51 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.992 -179.021 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1106 ' ' ILE . . . . . 0.643 HG12 HG22 ' A' 1118 ' ' VAL . 56.0 mt -115.59 137.57 48.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -177.463 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1107 ' ' GLY . . . . . 0.403 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -175.47 -168.39 35.85 Favored Glycine 0 N--CA 1.436 -1.358 0 C-N-CA 119.573 -1.298 . . . . 0.0 112.429 177.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1108 ' ' HIS . . . . . 0.421 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 20.7 p-80 -139.78 144.42 37.38 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -178.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1109 ' ' ILE . . . . . 0.655 HG12 HG12 ' A' 1094 ' ' ILE . 5.6 mt -70.03 141.42 17.14 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.402 -174.088 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -52.91 -62.08 1.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.78 -168.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -79.0 -25.4 59.96 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.56 -176.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1112 ' ' GLN . . . . . 0.408 HE21 ' HB2' ' A' 1112 ' ' GLN . 0.0 OUTLIER -113.18 83.03 6.0 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 177.722 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -66.93 -22.86 47.9 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.199 2.599 . . . . 0.0 114.009 -169.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -89.09 -8.12 54.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.199 0.523 . . . . 0.0 110.656 -177.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -86.56 89.68 7.99 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 171.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1116 ' ' LYS . . . . . 0.421 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 16.3 pttp -130.13 158.58 39.28 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.787 -174.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 168.36 -163.23 36.99 Favored Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 -177.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1118 ' ' VAL . . . . . 0.643 HG22 HG12 ' A' 1106 ' ' ILE . 14.7 t -106.99 116.59 51.05 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 CA-C-O 121.11 0.481 . . . . 0.0 109.946 176.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1119 ' ' PHE . . . . . 0.749 ' HB3' HD21 ' A' 1086 ' ' LEU . 14.9 p90 -109.23 142.87 26.54 Favored Pre-proline 0 C--N 1.319 -0.744 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.701 -176.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1120 ' ' PRO . . . . . 0.773 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 62.4 Cg_endo -76.46 125.13 8.15 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.545 2.163 . . . . 0.0 112.432 176.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1121 ' ' VAL . . . . . 0.596 ' HB ' ' HA ' ' A' 1103 ' ' GLU . 96.0 t -62.85 -19.28 22.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.746 179.12 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1122 ' ' SER . . . . . 0.515 ' HB2' ' CD1' ' A' 1123 ' ' PHE . 1.3 m -61.17 -31.32 71.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.925 -179.185 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1123 ' ' PHE . . . . . 0.675 ' HB3' ' HB2' ' A' 1076 ' ' TYR . 0.1 OUTLIER -107.0 2.84 25.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.105 0.479 . . . . 0.0 110.413 -174.073 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.592 HG11 ' HA ' ' A' 1074 ' ' THR . 16.0 m -125.43 158.33 33.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.391 179.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1125 ' ' HIS . . . . . 0.501 ' HB2' HD13 ' A' 1075 ' ' ILE . 82.8 t60 -120.69 131.93 54.82 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1126 ' ' ILE . . . . . 0.573 ' HA ' HG11 ' A' 1072 ' ' VAL . 2.1 mp -76.58 131.37 34.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.219 -177.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1127 ' ' LEU . . . . . 0.546 HD12 ' HB2' ' A' 1073 ' ' LYS . 43.3 mt -115.31 80.86 1.49 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.028 -179.458 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 32.6 m -89.47 20.41 3.92 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.543 -179.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 10.4 m-20 . . . . . 0 C--O 1.248 1.008 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.156 175.463 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 21.1 m . . . . . 0 N--CA 1.477 0.892 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 35.0 mt -94.18 133.94 33.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.991 0.424 . . . . 0.0 111.051 -177.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1580 ' ' ILE . . . . . 0.531 ' HB ' HD12 ' A' 1075 ' ' ILE . 1.6 mp -99.06 101.37 12.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.314 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B 1581 ' ' SER . . . . . 0.442 ' HB2' ' O ' ' B' 1580 ' ' ILE . 47.1 m 74.58 -140.89 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.19 -177.309 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -119.15 157.37 28.05 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 173.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1583 ' ' MET . . . . . 0.626 ' HA ' ' CE1' ' A' 1076 ' ' TYR . 31.9 ttm -42.01 119.52 2.17 Favored Pre-proline 0 C--O 1.236 0.391 0 O-C-N 123.925 0.765 . . . . 0.0 112.635 -170.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B 1584 ' ' PRO . . . . . 0.464 ' HD3' ' CZ ' ' A' 1076 ' ' TYR . 60.0 Cg_endo -71.75 -176.59 2.1 Favored 'Trans proline' 0 N--CA 1.454 -0.844 0 C-N-CA 123.062 2.508 . . . . 0.0 110.26 176.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 5.8 m -109.11 129.87 55.48 Favored 'General case' 0 N--CA 1.434 -1.23 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1586 ' ' LYS . . . . . 0.537 ' HZ2' ' CG ' ' A' 1081 ' ' ASP . 26.9 ttpt -63.63 98.14 0.17 Allowed 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 174.36 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 19.9 m -71.67 77.87 0.83 Allowed 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.209 -178.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B 1588 ' ' SER . . . . . 0.627 ' O ' ' HD3' ' B' 1590 ' ' LYS . 4.5 m -29.48 128.03 0.1 Allowed 'General case' 0 N--CA 1.468 0.45 0 O-C-N 124.564 1.165 . . . . 0.0 113.39 -168.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B 1589 ' ' ARG . . . . . 0.406 ' HA ' ' CD1' ' A' 1104 ' ' TRP . 15.0 ttp85 -53.02 106.1 0.15 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.293 -0.867 . . . . 0.0 112.106 -172.005 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B 1590 ' ' LYS . . . . . 0.627 ' HD3' ' O ' ' B' 1588 ' ' SER . 0.0 OUTLIER -63.4 -15.7 58.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 114.828 -1.078 . . . . 0.0 111.374 -177.582 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.679 -177.213 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 1070 ' ' ARG . . . . . 0.724 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 14.3 ttm180 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 45.1 ttt-85 -117.79 140.7 49.32 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 -177.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1072 ' ' VAL . . . . . 0.578 HG11 ' HA ' ' A' 1126 ' ' ILE . 18.4 m -133.99 154.8 38.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.772 0.32 . . . . 0.0 110.463 178.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1073 ' ' LYS . . . . . 0.482 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.4 OUTLIER -122.71 136.23 54.81 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 176.263 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 1074 ' ' THR . . . . . 0.575 ' HA ' HG11 ' A' 1124 ' ' VAL . 48.6 p -74.82 124.26 26.51 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.799 -175.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1075 ' ' ILE . . . . . 0.595 HG13 ' CD2' ' A' 1076 ' ' TYR . 16.1 pt -102.23 -2.93 9.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-O 121.556 0.693 . . . . 0.0 110.114 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1076 ' ' TYR . . . . . 0.751 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 95.0 m-85 -139.8 173.74 11.22 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.927 178.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.61 131.13 54.13 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.662 175.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1078 ' ' CYS . . . . . 0.679 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 42.7 t -142.42 145.73 34.11 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.027 -176.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1079 ' ' GLN . . . . . 0.494 ' HA ' HG21 ' A' 1087 ' ' THR . 27.6 tt0 -129.01 149.44 50.83 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 121.328 0.585 . . . . 0.0 111.356 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1080 ' ' ALA . . . . . 0.472 ' HB2' ' HB2' ' A' 1085 ' ' GLU . . . -60.2 131.18 50.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.781 -1.1 . . . . 0.0 112.485 -176.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 13.6 t70 -92.83 -24.75 18.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.009 176.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1082 ' ' ASN . . . . . 0.439 ' H ' ' HG3' ' A' 1085 ' ' GLU . 7.8 t-20 -145.67 -172.12 3.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.324 -172.161 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 20.0 t70 -61.61 -41.36 97.34 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -171.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 37.3 t70 -113.14 48.47 1.03 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.889 0.852 . . . . 0.0 110.624 -176.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1085 ' ' GLU . . . . . 0.595 ' HG2' HH21 ' B' 1589 ' ' ARG . 2.0 mm-40 -108.98 157.1 18.98 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.532 175.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1086 ' ' LEU . . . . . 0.546 HD21 ' HB3' ' A' 1119 ' ' PHE . 16.1 tp -105.29 129.27 53.68 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.762 0.315 . . . . 0.0 111.313 -177.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1087 ' ' THR . . . . . 0.494 HG21 ' HA ' ' A' 1079 ' ' GLN . 60.4 m -100.91 119.67 39.04 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 171.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1088 ' ' PHE . . . . . 0.562 ' CZ ' ' HD2' ' A' 1120 ' ' PRO . 19.4 p90 -143.06 140.45 30.94 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.271 -176.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1089 ' ' ILE . . . . . 0.483 HD11 ' HB2' ' A' 1092 ' ' GLU . 1.8 pp -104.16 158.32 5.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.0 -178.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1090 ' ' GLU . . . . . 0.413 ' HG3' ' HA ' ' B' 1579 ' ' ILE . 2.9 tm-20 -59.19 123.35 16.37 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 110.84 -1.71 28.79 Favored Glycine 0 N--CA 1.454 -0.154 0 C-N-CA 120.852 -0.689 . . . . 0.0 111.79 -177.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1092 ' ' GLU . . . . . 0.483 ' HB2' HD11 ' A' 1089 ' ' ILE . 5.4 tp10 -84.83 160.79 20.13 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.649 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 62.1 t -129.51 131.68 66.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1094 ' ' ILE . . . . . 0.482 HG22 ' CE1' ' A' 1119 ' ' PHE . 10.4 mt -122.78 133.26 69.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.06 0.457 . . . . 0.0 110.85 -176.056 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 44.9 mm -90.33 115.6 30.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 174.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1096 ' ' VAL . . . . . 0.724 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 46.9 t -75.61 111.66 12.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.15 0.5 . . . . 0.0 110.645 -177.279 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1097 ' ' THR . . . . . 0.541 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 64.3 p -98.08 -17.63 18.99 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.793 -178.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -169.06 -176.83 39.4 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.333 -0.937 . . . . 0.0 112.684 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -135.9 143.82 45.19 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1100 ' ' GLU . . . . . 0.482 ' HB2' HD13 ' A' 1106 ' ' ILE . 36.1 tt0 -122.54 -40.74 2.43 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.699 0.761 . . . . 0.0 109.285 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1101 ' ' ASP . . . . . 0.588 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 10.1 t70 -126.4 -167.17 1.68 Allowed 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.827 -1.079 . . . . 0.0 108.357 -179.393 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -86.98 -39.85 15.31 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 170.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1103 ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' 1120 ' ' PRO . 22.6 tt0 -101.0 10.79 40.69 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 114.64 -1.163 . . . . 0.0 110.418 -177.446 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1104 ' ' TRP . . . . . 0.588 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 79.8 m95 -141.56 113.37 7.83 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.104 0.478 . . . . 0.0 111.474 -178.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 44.5 m0 -115.0 164.1 14.64 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.762 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1106 ' ' ILE . . . . . 0.605 HG12 HG23 ' A' 1118 ' ' VAL . 18.7 mt -115.98 143.35 26.19 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.645 -174.212 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1107 ' ' GLY . . . . . 0.541 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . 177.6 -158.14 23.17 Favored Glycine 0 N--CA 1.436 -1.361 0 C-N-CA 119.918 -1.134 . . . . 0.0 112.178 176.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -143.22 151.56 40.74 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 -179.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1109 ' ' ILE . . . . . 0.446 HD12 HG12 ' A' 1094 ' ' ILE . 36.9 mm -62.22 130.7 26.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.279 179.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -52.57 -57.16 10.86 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -170.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -82.87 0.94 89.3 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.877 -0.678 . . . . 0.0 113.182 -176.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -143.93 86.0 8.78 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-O 121.08 0.467 . . . . 0.0 109.893 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -60.99 -29.05 87.23 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 123.352 2.701 . . . . 0.0 113.793 -171.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -78.57 -9.09 59.23 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.39 -177.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -87.66 89.43 7.99 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 171.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1116 ' ' LYS . . . . . 0.516 ' H ' ' HD3' ' A' 1116 ' ' LYS . 0.2 OUTLIER -125.29 165.17 18.81 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.53 -176.855 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 154.82 -167.22 32.63 Favored Glycine 0 N--CA 1.441 -1.01 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1118 ' ' VAL . . . . . 0.605 HG23 HG12 ' A' 1106 ' ' ILE . 15.5 t -104.29 122.18 56.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 120.964 0.411 . . . . 0.0 110.041 178.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1119 ' ' PHE . . . . . 0.546 ' HB3' HD21 ' A' 1086 ' ' LEU . 12.2 p90 -110.4 140.35 22.4 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.903 -178.199 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1120 ' ' PRO . . . . . 0.562 ' HD2' ' CZ ' ' A' 1088 ' ' PHE . 58.4 Cg_endo -73.42 123.17 8.48 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.741 2.294 . . . . 0.0 111.944 176.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1121 ' ' VAL . . . . . 0.545 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 57.4 t -62.48 -19.35 22.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.999 178.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.96 -22.82 67.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.886 177.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1123 ' ' PHE . . . . . 0.679 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.7 OUTLIER -111.48 2.02 17.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.88 0.371 . . . . 0.0 111.136 -176.274 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.575 HG11 ' HA ' ' A' 1074 ' ' THR . 17.0 m -129.53 165.5 29.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.035 0.445 . . . . 0.0 111.27 -178.114 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 64.4 t60 -126.12 130.55 51.27 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.929 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1126 ' ' ILE . . . . . 0.578 ' HA ' HG11 ' A' 1072 ' ' VAL . 2.0 mp -73.87 132.56 33.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.472 -176.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1127 ' ' LEU . . . . . 0.482 HD11 ' HB2' ' A' 1073 ' ' LYS . 71.1 mt -124.05 59.93 1.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.045 0.45 . . . . 0.0 110.976 -177.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 6.0 p -87.36 8.25 25.3 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 122.026 0.917 . . . . 0.0 109.473 173.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 35.2 t70 . . . . . 0 C--O 1.247 0.965 0 CA-C-N 114.224 -1.353 . . . . 0.0 109.853 -179.486 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 62.8 m . . . . . 0 N--CA 1.477 0.886 0 CA-C-O 120.513 0.197 . . . . 0.0 110.691 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B 1579 ' ' ILE . . . . . 0.413 ' HA ' ' HG3' ' A' 1090 ' ' GLU . 37.6 mt -68.14 122.95 20.39 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 C-N-CA 120.309 -0.556 . . . . 0.0 109.827 175.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B 1580 ' ' ILE . . . . . 0.452 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.7 mp -70.4 119.6 16.81 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 175.28 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 74.1 m 54.62 -161.28 0.15 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 171.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -85.41 155.68 21.17 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.339 168.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1583 ' ' MET . . . . . 0.469 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 2.9 ttm -60.7 135.61 92.45 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -175.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B 1584 ' ' PRO . . . . . 0.751 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 86.5 Cg_endo -80.17 -175.59 2.78 Favored 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 123.301 2.667 . . . . 0.0 110.413 173.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 9.5 m -110.09 134.85 51.75 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 -177.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1586 ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -65.97 101.47 0.68 Allowed 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 173.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 16.3 t -76.49 4.17 9.74 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.767 -169.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1588 ' ' SER . . . . . . . . . . . . . 21.8 m 67.12 155.5 0.1 Allowed 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.363 0.601 . . . . 0.0 110.445 -174.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1589 ' ' ARG . . . . . 0.595 HH21 ' HG2' ' A' 1085 ' ' GLU . 2.5 mtt180 -86.77 131.68 34.06 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 176.423 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B 1590 ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -76.94 -14.55 59.85 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 -175.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.26 0 CA-C-N 114.922 -1.035 . . . . 0.0 111.238 176.231 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 1070 ' ' ARG . . . . . 0.513 ' HD3' ' CZ3' ' A' 1105 ' ' TRP . 33.2 ttm180 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 121.472 0.653 . . . . 0.0 110.377 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1071 ' ' ARG . . . . . 0.441 ' HG3' HD11 ' A' 1095 ' ' ILE . 43.5 ttt180 -127.79 149.99 50.02 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.03 -0.987 . . . . 0.0 108.644 -175.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1072 ' ' VAL . . . . . 0.564 HG11 ' HA ' ' A' 1126 ' ' ILE . 29.9 m -137.04 151.51 27.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.137 0.494 . . . . 0.0 110.806 177.254 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1073 ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -116.36 137.8 51.86 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 177.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1074 ' ' THR . . . . . 0.536 ' HA ' HG12 ' A' 1124 ' ' VAL . 43.3 p -82.21 124.9 30.33 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.146 0.498 . . . . 0.0 110.572 -176.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1075 ' ' ILE . . . . . 0.657 HG13 ' CD2' ' A' 1076 ' ' TYR . 22.4 pt -106.55 0.68 10.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.588 -177.382 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1076 ' ' TYR . . . . . 0.743 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 90.1 m-85 -141.79 171.51 13.96 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.858 -1.064 . . . . 0.0 111.199 179.354 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -103.79 105.1 15.21 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 115.485 -0.78 . . . . 0.0 108.924 177.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1078 ' ' CYS . . . . . 0.615 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 50.8 t -118.69 143.21 47.0 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-O 121.212 0.53 . . . . 0.0 110.598 -175.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1079 ' ' GLN . . . . . 0.526 ' HA ' HG22 ' A' 1087 ' ' THR . 50.7 tt0 -129.44 143.28 50.77 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.891 178.497 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1080 ' ' ALA . . . . . . . . . . . . . . . -55.86 127.06 28.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.993 -174.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1081 ' ' ASP . . . . . 0.546 ' HB2' ' HE2' ' B' 1586 ' ' LYS . 28.1 t70 -76.84 -49.03 16.71 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.364 177.52 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -109.69 -171.22 1.8 Allowed 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 172.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 20.9 t70 -74.27 -32.38 62.9 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.905 0.383 . . . . 0.0 111.371 -178.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 36.9 t70 -80.24 -13.77 58.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.689 -171.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -79.54 166.52 21.85 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.892 0.377 . . . . 0.0 110.862 177.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 17.6 tp -104.74 140.51 37.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.216 -178.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1087 ' ' THR . . . . . 0.526 HG22 ' HA ' ' A' 1079 ' ' GLN . 89.8 m -102.77 116.62 32.93 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 172.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1088 ' ' PHE . . . . . 0.652 ' CE1' ' HD2' ' A' 1120 ' ' PRO . 25.1 p90 -140.18 135.48 32.47 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.128 -176.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1089 ' ' ILE . . . . . 0.659 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -103.48 159.49 4.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.189 -175.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -59.4 126.45 27.7 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 -177.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 106.01 -0.21 38.57 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.879 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -89.68 161.92 15.86 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 60.8 t -128.84 131.59 68.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -178.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1094 ' ' ILE . . . . . 0.508 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 18.3 mt -118.79 136.11 57.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 121.073 0.463 . . . . 0.0 110.949 -177.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1095 ' ' ILE . . . . . 0.441 HD11 ' HG3' ' A' 1071 ' ' ARG . 48.0 mm -93.81 115.28 32.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 173.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 21.4 t -76.9 118.63 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.015 0.436 . . . . 0.0 110.48 -176.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 33.6 p -97.09 -22.04 17.01 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.839 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -170.33 -178.54 41.24 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.699 178.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 21.6 mp0 -133.64 139.5 46.53 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1100 ' ' GLU . . . . . 0.653 ' HB2' HD12 ' A' 1106 ' ' ILE . 36.7 tt0 -120.94 -44.05 2.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.559 0.695 . . . . 0.0 109.507 -178.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1101 ' ' ASP . . . . . 0.688 ' OD2' ' HG2' ' B' 1590 ' ' LYS . 8.9 t70 -113.85 -171.29 1.87 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.575 -1.193 . . . . 0.0 107.84 177.542 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1102 ' ' GLN . . . . . 0.518 ' HG3' ' HG3' ' A' 1103 ' ' GLU . 28.9 pt20 -91.99 -31.11 15.73 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 173.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1103 ' ' GLU . . . . . 0.518 ' HG3' ' HG3' ' A' 1102 ' ' GLN . 36.5 mt-10 -104.35 9.78 35.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.638 178.137 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1104 ' ' TRP . . . . . 0.638 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 83.6 m95 -141.78 111.19 6.45 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 121.53 0.681 . . . . 0.0 111.615 -177.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1105 ' ' TRP . . . . . 0.513 ' CZ3' ' HD3' ' A' 1070 ' ' ARG . 40.9 m0 -115.26 163.26 15.93 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.211 -179.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1106 ' ' ILE . . . . . 0.653 HD12 ' HB2' ' A' 1100 ' ' GLU . 3.4 mp -114.49 140.76 33.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 -175.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -177.89 -159.03 22.02 Favored Glycine 0 N--CA 1.433 -1.512 0 C-N-CA 119.735 -1.222 . . . . 0.0 111.856 175.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1108 ' ' HIS . . . . . 0.45 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 6.7 p-80 -144.79 152.95 41.11 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1109 ' ' ILE . . . . . 0.472 HG23 ' NE2' ' A' 1112 ' ' GLN . 26.1 mm -61.4 140.06 19.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 179.417 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -60.22 -57.63 11.96 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.243 -176.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -73.23 -26.04 71.6 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 121.083 -0.579 . . . . 0.0 112.913 -179.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1112 ' ' GLN . . . . . 0.472 ' NE2' HG23 ' A' 1109 ' ' ILE . 1.2 mp0 -120.2 84.36 33.96 Favored Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 178.185 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -66.47 -20.0 54.6 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.235 2.624 . . . . 0.0 113.201 -173.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -79.27 -14.55 58.96 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.941 0.4 . . . . 0.0 110.572 -178.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -93.85 93.65 8.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.096 0.475 . . . . 0.0 109.884 177.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1116 ' ' LYS . . . . . 0.45 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 0.0 OUTLIER -121.52 166.83 13.59 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.431 -177.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 158.8 -172.35 35.6 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.434 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1118 ' ' VAL . . . . . . . . . . . . . 17.8 t -101.93 116.27 45.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.233 0.539 . . . . 0.0 110.151 178.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1119 ' ' PHE . . . . . 0.444 ' CE1' HG21 ' A' 1094 ' ' ILE . 16.2 p90 -106.08 139.78 20.61 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.587 -176.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1120 ' ' PRO . . . . . 0.652 ' HD2' ' CE1' ' A' 1088 ' ' PHE . 41.4 Cg_endo -72.74 123.4 8.96 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 122.508 2.139 . . . . 0.0 112.699 176.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1121 ' ' VAL . . . . . 0.581 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 68.5 t -60.32 -19.99 19.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 114.812 -1.085 . . . . 0.0 110.568 176.308 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1122 ' ' SER . . . . . 0.522 ' HB2' ' HD1' ' A' 1123 ' ' PHE . 4.6 m -60.19 -27.3 67.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.766 178.172 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1123 ' ' PHE . . . . . 0.615 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.5 OUTLIER -110.6 3.48 19.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.793 0.33 . . . . 0.0 111.047 -173.613 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 1124 ' ' VAL . . . . . 0.581 ' CG2' ' HA ' ' A' 1121 ' ' VAL . 13.2 m -129.05 168.56 22.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.09 0.471 . . . . 0.0 111.62 -177.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 24.7 t60 -129.4 138.15 51.33 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.548 -0.751 . . . . 0.0 108.988 -178.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1126 ' ' ILE . . . . . 0.564 ' HA ' HG11 ' A' 1072 ' ' VAL . 1.8 mp -82.06 123.22 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.509 0.671 . . . . 0.0 111.722 -172.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 9.7 mp -112.64 88.71 2.89 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.984 0.897 . . . . 0.0 110.858 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 61.8 m -152.4 22.4 0.63 Allowed 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 114.387 -1.279 . . . . 0.0 108.368 177.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 19.9 t70 . . . . . 0 C--O 1.243 0.753 0 CA-C-N 114.237 -1.347 . . . . 0.0 109.409 -174.94 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 28.4 m . . . . . 0 N--CA 1.479 0.985 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 33.0 mt -64.68 127.53 25.64 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.371 0 CA-C-O 121.256 0.55 . . . . 0.0 110.324 178.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1580 ' ' ILE . . . . . 0.519 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.7 mp -80.74 108.39 14.05 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.639 175.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 39.1 m 61.02 -154.52 0.36 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.333 0.587 . . . . 0.0 112.067 171.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -88.98 161.37 16.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.344 171.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1583 ' ' MET . . . . . 0.611 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 4.5 ttm -68.36 138.95 91.81 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -173.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B 1584 ' ' PRO . . . . . 0.743 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 78.6 Cg_endo -84.8 -175.72 2.19 Favored 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 123.492 2.795 . . . . 0.0 111.326 175.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 27.3 m -111.9 132.27 54.84 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 -179.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1586 ' ' LYS . . . . . 0.546 ' HE2' ' HB2' ' A' 1081 ' ' ASP . 2.5 tmmt? -59.79 103.05 0.18 Allowed 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 175.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 15.6 t -74.26 4.14 6.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.785 -1.098 . . . . 0.0 113.723 -164.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1588 ' ' SER . . . . . . . . . . . . . 25.1 m 68.35 141.43 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.05 0.452 . . . . 0.0 111.617 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B 1589 ' ' ARG . . . . . 0.49 ' HG2' ' CE2' ' A' 1104 ' ' TRP . 2.7 mtm180 -85.31 133.76 34.14 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 173.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B 1590 ' ' LYS . . . . . 0.688 ' HG2' ' OD2' ' A' 1101 ' ' ASP . 27.2 mmtt -78.6 -13.15 59.97 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 -176.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.327 177.637 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 45.6 t . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 120.679 0.276 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 1070 ' ' ARG . . . . . 0.635 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 29.2 ttm180 -96.49 137.1 36.08 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1071 ' ' ARG . . . . . 0.514 ' HB3' ' HB2' ' A' 1127 ' ' LEU . 37.9 ttt180 -127.83 142.53 51.26 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -174.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1072 ' ' VAL . . . . . 0.549 HG13 ' HA ' ' A' 1126 ' ' ILE . 29.3 m -136.46 144.66 32.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.028 0.442 . . . . 0.0 110.454 175.048 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1073 ' ' LYS . . . . . 0.567 ' HB2' HD13 ' A' 1127 ' ' LEU . 0.1 OUTLIER -111.6 128.17 55.96 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 177.546 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1074 ' ' THR . . . . . 0.533 ' HA ' HG11 ' A' 1124 ' ' VAL . 42.4 p -70.85 118.29 13.44 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.479 0.657 . . . . 0.0 110.283 -177.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1075 ' ' ILE . . . . . 0.641 HG13 ' CD2' ' A' 1076 ' ' TYR . 14.8 pt -101.48 -4.19 9.31 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.375 -177.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1076 ' ' TYR . . . . . 0.757 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 97.5 m-85 -139.61 175.38 9.62 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.05 177.658 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1077 ' ' ASP . . . . . 0.515 ' HA ' ' HA ' ' A' 1089 ' ' ILE . 7.0 m-20 -108.92 109.38 20.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.51 177.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1078 ' ' CYS . . . . . 0.663 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 32.6 t -121.34 147.86 45.12 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.873 0.368 . . . . 0.0 110.522 -177.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1079 ' ' GLN . . . . . 0.583 ' HA ' HG21 ' A' 1087 ' ' THR . 19.4 tt0 -124.37 141.78 51.81 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.777 0.798 . . . . 0.0 111.75 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1080 ' ' ALA . . . . . 0.467 ' HB3' ' HB2' ' A' 1085 ' ' GLU . . . -76.01 139.11 41.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.339 -1.301 . . . . 0.0 111.481 -177.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -84.27 -41.47 16.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.689 176.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 15.6 m120 -119.55 -174.96 2.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.664 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -70.48 -17.92 62.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.106 0.479 . . . . 0.0 110.743 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1084 ' ' ASP . . . . . 0.495 ' HB2' ' OE2' ' A' 1085 ' ' GLU . 10.1 m-20 -72.1 -36.71 69.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.081 -174.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1085 ' ' GLU . . . . . 0.495 ' OE2' ' HB2' ' A' 1084 ' ' ASP . 5.8 mp0 -86.5 159.62 19.24 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.608 -172.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1086 ' ' LEU . . . . . 0.433 HD13 ' CA ' ' A' 1116 ' ' LYS . 8.8 tt -108.81 116.36 31.84 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.275 -178.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1087 ' ' THR . . . . . 0.583 HG21 ' HA ' ' A' 1079 ' ' GLN . 57.6 m -78.36 125.08 28.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.237 176.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1088 ' ' PHE . . . . . 0.727 ' HE2' ' HD2' ' A' 1120 ' ' PRO . 48.6 p90 -140.17 139.9 35.8 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.268 -178.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1089 ' ' ILE . . . . . 0.597 ' H ' HD12 ' A' 1089 ' ' ILE . 0.2 OUTLIER -109.55 159.92 8.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 176.511 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -56.92 125.59 23.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 123.626 0.579 . . . . 0.0 110.407 -174.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 116.6 -13.74 15.19 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.277 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -76.44 154.21 34.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.119 0.485 . . . . 0.0 110.809 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1093 ' ' VAL . . . . . 0.519 HG22 ' HG2' ' A' 1073 ' ' LYS . 61.1 t -123.6 124.5 69.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 177.034 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1094 ' ' ILE . . . . . 0.736 HG12 HD13 ' A' 1109 ' ' ILE . 20.2 mt -115.56 132.89 63.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 120.958 0.409 . . . . 0.0 110.83 -174.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1095 ' ' ILE . . . . . 0.422 HD11 ' HG3' ' A' 1071 ' ' ARG . 48.0 mm -89.98 111.13 22.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 172.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1096 ' ' VAL . . . . . 0.635 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 48.9 t -74.47 113.74 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.671 -177.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 17.4 p -105.91 -8.34 17.71 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -177.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -164.61 -178.84 38.32 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.387 -0.911 . . . . 0.0 112.879 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -143.78 140.42 29.9 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1100 ' ' GLU . . . . . 0.523 ' HG2' HD12 ' A' 1106 ' ' ILE . 58.2 mm-40 -116.58 -52.47 2.56 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.603 0.716 . . . . 0.0 109.565 177.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1101 ' ' ASP . . . . . 0.708 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 19.6 t70 -122.26 174.74 6.79 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 114.523 -1.217 . . . . 0.0 108.265 178.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -66.2 -39.1 89.42 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-O 121.414 0.625 . . . . 0.0 109.505 175.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -105.89 12.17 30.98 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.41 -0.813 . . . . 0.0 111.169 -175.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1104 ' ' TRP . . . . . 0.708 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 71.9 m95 -141.55 107.39 5.13 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 47.1 m0 -111.58 171.13 7.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.723 0.297 . . . . 0.0 110.881 -176.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1106 ' ' ILE . . . . . 0.703 HG12 HG22 ' A' 1118 ' ' VAL . 55.4 mt -115.93 138.38 46.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.962 -178.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -173.47 -169.69 36.13 Favored Glycine 0 N--CA 1.441 -0.987 0 C-N-CA 119.924 -1.132 . . . . 0.0 112.593 176.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1108 ' ' HIS . . . . . 0.529 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 19.7 p-80 -142.55 148.73 38.06 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1109 ' ' ILE . . . . . 0.736 HD13 HG12 ' A' 1094 ' ' ILE . 41.2 mm -62.88 137.21 24.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.063 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -53.04 -62.5 1.62 Allowed 'General case' 0 C--N 1.322 -0.616 0 O-C-N 123.252 0.345 . . . . 0.0 111.666 -173.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -84.11 -0.01 89.5 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.49 -178.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -132.12 79.2 67.25 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-O 120.86 0.362 . . . . 0.0 110.303 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.91 -6.41 18.04 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 123.24 2.627 . . . . 0.0 112.79 -177.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -83.7 -21.62 32.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.148 0.499 . . . . 0.0 109.756 178.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -92.04 92.65 8.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.983 177.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1116 ' ' LYS . . . . . 0.529 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 0.0 OUTLIER -133.29 153.54 51.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.719 0.295 . . . . 0.0 110.732 178.356 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 160.42 -164.96 34.76 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1118 ' ' VAL . . . . . 0.703 HG22 HG12 ' A' 1106 ' ' ILE . 11.8 t -100.45 129.51 51.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.907 0.384 . . . . 0.0 110.624 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1119 ' ' PHE . . . . . 0.518 ' HB2' ' CE2' ' A' 1088 ' ' PHE . 27.3 p90 -127.38 147.35 61.83 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.323 -175.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1120 ' ' PRO . . . . . 0.727 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 57.7 Cg_endo -76.18 128.64 10.71 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.595 2.197 . . . . 0.0 112.62 179.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1121 ' ' VAL . . . . . 0.548 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 87.4 t -66.66 -18.23 23.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.513 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -25.29 68.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.875 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1123 ' ' PHE . . . . . 0.663 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.5 OUTLIER -109.35 2.49 20.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.0 0.428 . . . . 0.0 110.97 -174.566 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.548 ' CG2' ' HA ' ' A' 1121 ' ' VAL . 10.6 m -126.85 164.41 27.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.973 0.415 . . . . 0.0 111.097 -179.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 62.1 t60 -123.11 128.47 50.14 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.937 -178.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1126 ' ' ILE . . . . . 0.549 ' HA ' HG13 ' A' 1072 ' ' VAL . 1.8 mp -70.07 123.97 25.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.4 -177.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1127 ' ' LEU . . . . . 0.567 HD13 ' HB2' ' A' 1073 ' ' LYS . 66.5 mt -98.41 54.29 1.07 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.447 -177.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 14.8 t -118.13 20.01 13.36 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 172.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 20.6 t70 . . . . . 0 C--O 1.25 1.101 0 CA-C-N 114.519 -1.219 . . . . 0.0 109.973 -175.899 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 39.5 m . . . . . 0 N--CA 1.476 0.842 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 16.9 mt -68.44 130.37 33.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.106 0.479 . . . . 0.0 110.242 176.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1580 ' ' ILE . . . . . 0.47 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.6 mp -81.92 131.54 33.58 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.479 175.163 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 6.3 t 46.59 -142.67 0.36 Allowed 'General case' 0 C--O 1.239 0.511 0 O-C-N 123.782 0.676 . . . . 0.0 112.103 174.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -106.78 152.14 24.24 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.064 -0.971 . . . . 0.0 108.764 169.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1583 ' ' MET . . . . . 0.426 ' HA ' ' CE1' ' A' 1076 ' ' TYR . 3.1 ttm -54.17 132.41 60.26 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -175.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1584 ' ' PRO . . . . . 0.757 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 88.9 Cg_endo -83.21 -176.12 2.68 Favored 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 123.189 2.593 . . . . 0.0 111.055 177.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 6.0 m -109.13 132.56 54.0 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.03 -176.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1586 ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -59.97 107.96 0.7 Allowed 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 172.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 9.2 p -67.6 -4.81 12.9 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.814 -171.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1588 ' ' SER . . . . . . . . . . . . . 68.2 m 66.8 116.88 0.03 OUTLIER 'General case' 0 CA--C 1.52 -0.206 0 O-C-N 123.848 0.718 . . . . 0.0 110.038 -173.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1589 ' ' ARG . . . . . 0.546 ' HB3' ' HG2' ' B' 1592 ' ' LYS . 39.4 ttp85 -66.87 104.59 1.38 Allowed 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.164 -174.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1590 ' ' LYS . . . . . 0.806 ' H ' ' HD2' ' B' 1590 ' ' LYS . 0.0 OUTLIER -59.49 -31.69 69.58 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.74 -176.867 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -60.4 -40.17 90.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.548 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1592 ' ' LYS . . . . . 0.546 ' HG2' ' HB3' ' B' 1589 ' ' ARG . 17.7 ptmt -96.5 144.7 26.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.108 0.48 . . . . 0.0 110.765 -174.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1593 ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' B' 1594 ' ' PRO . 13.5 mptt -109.45 136.73 20.2 Favored Pre-proline 0 C--N 1.319 -0.739 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 176.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1594 ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' B' 1593 ' ' LYS . 25.3 Cg_exo -63.56 93.29 0.17 Allowed 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.749 2.299 . . . . 0.0 111.641 178.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . -58.43 114.68 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.05 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 16.1 mm100 . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.484 -0.77 . . . . 0.0 109.686 179.768 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 34.7 m . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -93.54 124.22 37.38 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 174.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1071 ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' 1071 ' ' ARG . 32.4 ttt180 -113.87 136.07 53.28 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.998 -172.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1072 ' ' VAL . . . . . 0.583 HG11 ' HA ' ' A' 1126 ' ' ILE . 33.1 m -127.52 152.36 35.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.056 0.455 . . . . 0.0 110.672 178.322 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1073 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.58 132.98 55.42 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.542 -0.911 . . . . 0.0 108.542 179.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1074 ' ' THR . . . . . 0.529 ' HA ' HG11 ' A' 1124 ' ' VAL . 61.8 p -76.08 124.89 28.13 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.174 0.512 . . . . 0.0 110.629 -176.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1075 ' ' ILE . . . . . 0.572 HG13 ' CD2' ' A' 1076 ' ' TYR . 17.4 pt -104.04 -3.49 9.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.363 0.601 . . . . 0.0 110.468 -177.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1076 ' ' TYR . . . . . 0.843 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 90.3 m-85 -139.21 172.82 12.27 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.936 178.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1077 ' ' ASP . . . . . 0.465 ' O ' ' HE1' ' B' 1583 ' ' MET . 23.2 m-20 -104.24 110.48 22.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.327 -0.852 . . . . 0.0 109.435 176.101 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1078 ' ' CYS . . . . . 0.554 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 25.1 t -122.02 152.06 40.16 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.888 0.375 . . . . 0.0 110.634 -176.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1079 ' ' GLN . . . . . 0.545 ' HA ' HG23 ' A' 1087 ' ' THR . 42.0 tt0 -134.6 144.52 47.95 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.008 178.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1080 ' ' ALA . . . . . . . . . . . . . . . -60.61 132.96 55.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.725 -1.125 . . . . 0.0 112.373 -175.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 18.9 t70 -79.17 -46.52 17.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.615 176.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -112.51 -170.28 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.175 -0.921 . . . . 0.0 108.822 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 17.0 t70 -74.45 -26.06 59.82 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.123 0.487 . . . . 0.0 110.73 177.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 32.1 t70 -82.3 -22.33 35.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.992 -172.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -76.43 160.54 29.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.981 0.419 . . . . 0.0 110.866 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1086 ' ' LEU . . . . . 0.469 ' HB3' ' HB3' ' A' 1119 ' ' PHE . 17.0 tp -98.14 142.44 29.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.13 -179.014 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1087 ' ' THR . . . . . 0.545 HG23 ' HA ' ' A' 1079 ' ' GLN . 91.1 m -107.49 119.07 38.39 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 172.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1088 ' ' PHE . . . . . 0.573 ' CE1' ' HD2' ' A' 1120 ' ' PRO . 21.6 p90 -141.31 137.59 32.54 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.503 -175.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1089 ' ' ILE . . . . . 0.587 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -106.65 157.97 6.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.416 -176.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1090 ' ' GLU . . . . . 0.623 ' HG3' HG12 ' B' 1579 ' ' ILE . 2.1 tm-20 -57.48 128.02 34.96 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 123.357 0.411 . . . . 0.0 110.241 -176.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 104.6 -1.46 42.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.771 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -89.92 161.23 16.02 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 64.4 t -126.8 128.54 71.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.945 -177.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1094 ' ' ILE . . . . . 0.525 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 19.2 mt -116.87 132.02 67.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.986 0.422 . . . . 0.0 110.486 -176.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 49.7 mm -90.53 114.68 28.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 172.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 39.2 t -75.68 116.93 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.864 0.364 . . . . 0.0 110.419 -176.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1097 ' ' THR . . . . . 0.463 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 21.0 p -103.45 -19.34 14.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.975 -179.172 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -162.85 -171.62 29.29 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.62 -179.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -156.51 135.77 12.12 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -177.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -120.83 -33.18 3.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.367 0.603 . . . . 0.0 109.949 -177.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1101 ' ' ASP . . . . . 0.793 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 10.1 t70 -127.74 168.57 14.91 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 177.406 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -64.24 -39.22 93.52 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 121.512 0.672 . . . . 0.0 109.455 176.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -113.24 18.95 17.5 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.757 -174.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1104 ' ' TRP . . . . . 0.793 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 59.8 m95 -142.24 109.15 5.45 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.785 177.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 45.8 m0 -112.01 165.94 11.67 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.011 0.434 . . . . 0.0 110.997 -175.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1106 ' ' ILE . . . . . 0.621 HG12 HG22 ' A' 1118 ' ' VAL . 55.4 mt -115.86 135.4 56.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.706 -176.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1107 ' ' GLY . . . . . 0.463 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -177.17 -164.51 30.99 Favored Glycine 0 N--CA 1.439 -1.117 0 C-N-CA 120.118 -1.039 . . . . 0.0 112.176 178.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1108 ' ' HIS . . . . . 0.456 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 14.1 p-80 -142.94 151.44 40.94 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 -178.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1109 ' ' ILE . . . . . 0.824 ' HB ' ' HB2' ' A' 1112 ' ' GLN . 30.0 mm -65.12 135.43 28.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.245 0.545 . . . . 0.0 109.578 178.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -61.27 -38.5 86.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.939 -1.028 . . . . 0.0 112.047 -174.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -98.4 -0.12 58.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.938 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1112 ' ' GLN . . . . . 0.824 ' HB2' ' HB ' ' A' 1109 ' ' ILE . 35.0 mt-30 -134.74 73.44 67.1 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -178.237 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -60.97 -32.04 92.02 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 123.056 2.504 . . . . 0.0 113.3 -170.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -80.47 -8.01 59.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.131 0.491 . . . . 0.0 110.687 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1115 ' ' ARG . . . . . 0.428 ' HD2' ' OE1' ' A' 1112 ' ' GLN . 89.6 mtt180 -94.73 90.02 5.93 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 174.262 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1116 ' ' LYS . . . . . 0.456 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 0.0 OUTLIER -126.33 156.3 40.66 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.861 179.195 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 167.56 -167.01 39.7 Favored Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1118 ' ' VAL . . . . . 0.621 HG22 HG12 ' A' 1106 ' ' ILE . 11.7 t -100.98 117.69 46.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.135 0.493 . . . . 0.0 110.454 179.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1119 ' ' PHE . . . . . 0.469 ' HB3' ' HB3' ' A' 1086 ' ' LEU . 22.2 p90 -110.34 142.0 25.1 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.403 -177.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1120 ' ' PRO . . . . . 0.573 ' HD2' ' CE1' ' A' 1088 ' ' PHE . 55.5 Cg_endo -74.03 129.32 13.13 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.566 2.177 . . . . 0.0 112.213 176.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1121 ' ' VAL . . . . . 0.548 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 61.1 t -66.42 -14.73 18.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.681 0.753 . . . . 0.0 109.84 177.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1122 ' ' SER . . . . . 0.58 ' OG ' ' HB2' ' B' 1587 ' ' SER . 1.1 m -61.22 -27.43 68.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.986 178.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1123 ' ' PHE . . . . . 0.554 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.9 OUTLIER -111.4 3.02 17.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.101 0.477 . . . . 0.0 110.931 -174.464 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.548 ' CG2' ' HA ' ' A' 1121 ' ' VAL . 17.5 m -129.09 171.97 16.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.08 0.467 . . . . 0.0 111.092 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 19.8 t60 -136.0 138.84 42.65 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1126 ' ' ILE . . . . . 0.583 ' HA ' HG11 ' A' 1072 ' ' VAL . 2.6 mp -84.26 127.65 39.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.047 0.451 . . . . 0.0 111.144 -175.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 9.8 mp -102.1 100.19 10.4 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.641 0.734 . . . . 0.0 110.214 177.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 12.8 p -109.87 32.1 5.34 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.289 176.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 29.7 t70 . . . . . 0 C--O 1.246 0.921 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.224 -174.879 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 75.5 m . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B 1579 ' ' ILE . . . . . 0.623 HG12 ' HG3' ' A' 1090 ' ' GLU . 12.4 mt -78.47 127.4 38.78 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.394 0 CA-C-O 121.057 0.456 . . . . 0.0 110.085 176.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1580 ' ' ILE . . . . . 0.4 ' O ' ' CE1' ' A' 1076 ' ' TYR . 1.7 mp -84.75 120.06 34.67 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.247 175.294 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 10.8 t 56.61 -154.75 0.33 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.476 0.655 . . . . 0.0 111.97 169.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -96.28 161.4 13.96 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 170.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1583 ' ' MET . . . . . 0.491 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 1.0 OUTLIER -55.47 134.73 70.51 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -174.655 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B 1584 ' ' PRO . . . . . 0.843 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 64.7 Cg_endo -85.04 -176.03 2.25 Favored 'Trans proline' 0 N--CA 1.451 -1.016 0 C-N-CA 123.099 2.532 . . . . 0.0 110.935 177.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 10.9 m -104.76 136.46 44.23 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -178.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1586 ' ' LYS . . . . . 0.411 ' HB2' ' HE3' ' B' 1586 ' ' LYS . 20.7 ttmt -50.64 115.24 1.39 Allowed 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 172.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1587 ' ' SER . . . . . 0.58 ' HB2' ' OG ' ' A' 1122 ' ' SER . 24.2 t -58.93 -16.16 16.41 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 123.713 0.633 . . . . 0.0 112.365 -171.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1588 ' ' SER . . . . . . . . . . . . . 66.8 m 62.7 95.88 0.04 OUTLIER 'General case' 0 C--O 1.232 0.134 0 CA-C-O 121.311 0.577 . . . . 0.0 110.029 -175.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1589 ' ' ARG . . . . . 0.724 ' HB3' ' HG2' ' B' 1592 ' ' LYS . 11.5 ttp180 -57.9 124.94 20.95 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.372 -174.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1590 ' ' LYS . . . . . 0.633 ' H ' ' HD2' ' B' 1590 ' ' LYS . 0.0 OUTLIER -74.8 -6.55 49.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.684 0.754 . . . . 0.0 109.421 -177.462 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -119.97 39.25 3.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.515 170.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1592 ' ' LYS . . . . . 0.724 ' HG2' ' HB3' ' B' 1589 ' ' ARG . 4.6 mmmt -60.65 131.57 51.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.607 -178.043 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1593 ' ' LYS . . . . . 0.607 ' HD3' HH21 ' B' 1589 ' ' ARG . 33.7 mtpt -104.2 103.6 39.39 Favored Pre-proline 0 N--CA 1.446 -0.667 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.322 177.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1594 ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -88.88 44.64 0.81 Allowed 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 123.089 2.526 . . . . 0.0 111.834 -178.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . -79.62 165.67 22.67 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.258 -176.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 117.866 -1.064 . . . . 0.0 111.009 178.254 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 61.2 t . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 120.905 0.383 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 1070 ' ' ARG . . . . . 0.535 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 38.7 ttm180 -118.11 140.68 49.42 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1071 ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' 1071 ' ' ARG . 41.9 ttm105 -137.53 130.34 30.15 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.864 0.364 . . . . 0.0 111.055 -178.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1072 ' ' VAL . . . . . 0.539 HG11 ' HA ' ' A' 1126 ' ' ILE . 33.4 m -118.4 152.99 20.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.272 176.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1073 ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' 1074 ' ' THR . 0.1 OUTLIER -118.33 133.07 56.2 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.054 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1074 ' ' THR . . . . . 0.56 ' HA ' HG12 ' A' 1124 ' ' VAL . 66.0 p -76.32 125.47 29.24 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 -175.015 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1075 ' ' ILE . . . . . 0.467 ' O ' ' HA ' ' B' 1579 ' ' ILE . 15.4 pt -100.73 -1.26 9.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.772 0.796 . . . . 0.0 109.582 179.272 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1076 ' ' TYR . . . . . 0.743 ' CE1' ' HA ' ' B' 1583 ' ' MET . 26.1 m-85 -144.97 175.72 10.01 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.02 -1.446 . . . . 0.0 110.262 -179.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1077 ' ' ASP . . . . . 0.447 ' HB2' HG22 ' A' 1089 ' ' ILE . 2.0 p-10 -118.48 125.72 50.5 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 175.078 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1078 ' ' CYS . . . . . 0.669 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 49.0 t -133.39 145.31 50.21 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.379 -175.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1079 ' ' GLN . . . . . 0.583 ' HA ' HG21 ' A' 1087 ' ' THR . 44.4 tt0 -122.48 144.93 48.76 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.192 -177.439 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1080 ' ' ALA . . . . . 0.417 ' HA ' ' HB3' ' A' 1085 ' ' GLU . . . -45.29 128.41 7.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.397 -1.274 . . . . 0.0 113.21 -173.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 29.5 t70 -74.93 -50.99 14.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.269 -1.332 . . . . 0.0 109.136 174.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1082 ' ' ASN . . . . . 0.447 ' HB2' ' HZ1' ' B' 1592 ' ' LYS . 7.7 m120 -129.89 -168.24 1.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.602 171.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 38.7 t70 -62.24 -33.19 74.11 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -177.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 16.0 t70 -83.8 -11.07 57.58 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 120.935 0.397 . . . . 0.0 111.966 -173.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1085 ' ' GLU . . . . . 0.417 ' HB3' ' HA ' ' A' 1080 ' ' ALA . 10.4 mp0 -79.35 152.76 30.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.226 0.536 . . . . 0.0 111.311 178.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1086 ' ' LEU . . . . . 0.413 HD12 ' C ' ' A' 1116 ' ' LYS . 6.8 tt -107.57 124.08 49.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.951 -178.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1087 ' ' THR . . . . . 0.583 HG21 ' HA ' ' A' 1079 ' ' GLN . 60.3 m -85.05 128.52 34.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.763 176.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1088 ' ' PHE . . . . . 0.609 ' HE2' ' HD2' ' A' 1120 ' ' PRO . 13.6 p90 -137.99 158.31 44.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.119 178.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1089 ' ' ILE . . . . . 0.528 HD12 ' HB2' ' A' 1092 ' ' GLU . 1.7 pp -123.0 153.68 28.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.388 178.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1090 ' ' GLU . . . . . 0.633 ' HG3' HG12 ' B' 1579 ' ' ILE . 2.4 tm-20 -56.12 123.87 15.93 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 123.257 0.348 . . . . 0.0 110.197 -177.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 107.18 -1.51 35.19 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.882 -178.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1092 ' ' GLU . . . . . 0.528 ' HB2' HD12 ' A' 1089 ' ' ILE . 3.2 tp10 -84.92 160.1 20.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.024 0.44 . . . . 0.0 110.063 178.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 98.4 t -126.04 118.16 50.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.146 -176.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1094 ' ' ILE . . . . . 0.555 HG12 HD13 ' A' 1109 ' ' ILE . 17.4 mt -112.06 128.15 68.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.181 0.515 . . . . 0.0 110.93 -175.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 43.4 mm -87.93 115.04 27.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 172.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1096 ' ' VAL . . . . . 0.535 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 17.8 t -82.32 128.96 38.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 -175.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 14.2 p -106.16 -20.33 13.44 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.297 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -172.77 -171.4 37.51 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.494 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -135.13 157.24 47.42 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 179.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1100 ' ' GLU . . . . . 0.453 ' CD ' HH21 ' B' 1589 ' ' ARG . 31.5 tt0 -131.1 -36.6 1.31 Allowed 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.737 0.78 . . . . 0.0 109.035 173.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1101 ' ' ASP . . . . . 0.631 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 29.3 t70 -128.71 171.17 12.46 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 173.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -69.57 -30.87 68.75 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 121.676 0.751 . . . . 0.0 109.457 175.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -110.32 5.08 21.35 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.96 -174.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1104 ' ' TRP . . . . . 0.631 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 78.3 m95 -137.29 106.09 5.91 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.478 177.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1105 ' ' TRP . . . . . 0.417 ' CZ3' ' HD3' ' A' 1070 ' ' ARG . 44.6 m0 -106.67 166.62 10.44 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.04 -177.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1106 ' ' ILE . . . . . 0.775 HG12 HG22 ' A' 1118 ' ' VAL . 36.6 mt -116.77 135.26 57.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.171 -175.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -177.88 -165.12 32.31 Favored Glycine 0 N--CA 1.442 -0.959 0 C-N-CA 119.913 -1.137 . . . . 0.0 112.867 177.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1108 ' ' HIS . . . . . 0.501 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 10.8 p-80 -145.52 148.55 33.34 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -178.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1109 ' ' ILE . . . . . 0.602 ' HB ' ' HB2' ' A' 1112 ' ' GLN . 36.3 mm -63.5 134.8 28.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.135 -179.117 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -56.82 -57.01 14.35 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 -171.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -82.81 -9.69 84.16 Favored Glycine 0 CA--C 1.517 0.214 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.61 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1112 ' ' GLN . . . . . 0.602 ' HB2' ' HB ' ' A' 1109 ' ' ILE . 18.9 mp0 -121.1 74.86 29.08 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -63.85 -26.27 67.42 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 123.101 2.534 . . . . 0.0 113.603 -169.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -83.1 -6.59 59.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.811 0.339 . . . . 0.0 111.261 -177.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 74.0 mtt-85 -94.5 91.71 6.75 Favored 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 174.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1116 ' ' LYS . . . . . 0.501 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 0.2 OUTLIER -131.3 161.56 32.05 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.698 -178.618 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 156.85 -160.83 30.63 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -177.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1118 ' ' VAL . . . . . 0.775 HG22 HG12 ' A' 1106 ' ' ILE . 39.8 t -106.61 133.12 52.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.896 0.379 . . . . 0.0 110.401 178.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1119 ' ' PHE . . . . . 0.56 ' HB2' ' HE2' ' A' 1088 ' ' PHE . 26.7 p90 -128.84 149.42 72.24 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.392 -175.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1120 ' ' PRO . . . . . 0.609 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 85.1 Cg_endo -80.61 127.93 6.64 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.692 2.261 . . . . 0.0 112.97 -178.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1121 ' ' VAL . . . . . 0.579 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 59.8 t -65.93 -15.87 19.61 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.25 177.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1122 ' ' SER . . . . . 0.578 ' HB2' ' HD1' ' A' 1123 ' ' PHE . 1.1 m -60.85 -31.32 70.77 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.021 179.235 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1123 ' ' PHE . . . . . 0.669 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.4 OUTLIER -108.4 4.6 24.56 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 121.057 0.456 . . . . 0.0 110.402 -174.407 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.579 ' CG2' ' HA ' ' A' 1121 ' ' VAL . 27.1 m -130.57 174.46 12.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.038 0.447 . . . . 0.0 111.684 -177.636 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -137.7 142.97 41.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.374 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1126 ' ' ILE . . . . . 0.539 ' HA ' HG11 ' A' 1072 ' ' VAL . 1.9 mp -83.32 123.5 38.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.708 -177.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1127 ' ' LEU . . . . . 0.409 HD22 ' HB2' ' A' 1073 ' ' LYS . 11.1 mp -109.73 -72.56 0.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.044 178.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 46.0 m 50.45 41.74 25.41 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.756 -175.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 C--O 1.248 1.004 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.045 -179.734 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 76.0 m . . . . . 0 N--CA 1.476 0.872 0 CA-C-O 120.911 0.386 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B 1579 ' ' ILE . . . . . 0.633 HG12 ' HG3' ' A' 1090 ' ' GLU . 59.5 mt -78.34 132.41 32.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.569 178.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1580 ' ' ILE . . . . . 0.492 HG23 ' O ' ' B' 1580 ' ' ILE . 1.6 mp -89.67 102.19 12.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.046 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 16.4 m 75.41 -148.54 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.59 0.756 . . . . 0.0 111.401 -176.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -117.81 151.73 36.75 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 177.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1583 ' ' MET . . . . . 0.743 ' HA ' ' CE1' ' A' 1076 ' ' TYR . 29.0 ttm -41.13 126.41 2.09 Favored Pre-proline 0 N--CA 1.472 0.663 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -165.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1584 ' ' PRO . . . . . 0.652 ' HD3' ' CZ ' ' A' 1076 ' ' TYR . 73.0 Cg_endo -80.46 -175.81 2.88 Favored 'Trans proline' 0 N--CA 1.445 -1.375 0 C-N-CA 123.174 2.582 . . . . 0.0 110.309 177.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 34.4 m -109.77 138.04 46.71 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -176.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1586 ' ' LYS . . . . . 0.434 ' C ' ' H ' ' B' 1588 ' ' SER . 22.8 ttmt -59.59 102.38 0.14 Allowed 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 174.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 23.4 t -70.04 5.7 1.52 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.948 -170.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1588 ' ' SER . . . . . 0.434 ' H ' ' C ' ' B' 1586 ' ' LYS . 22.6 t 67.83 140.63 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 122.069 0.938 . . . . 0.0 110.591 -177.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1589 ' ' ARG . . . . . 0.6 ' O ' ' HG2' ' B' 1592 ' ' LYS . 44.7 ttt180 -87.53 107.12 18.43 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 115.161 -0.927 . . . . 0.0 108.766 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1590 ' ' LYS . . . . . 0.427 ' H ' ' HD2' ' B' 1590 ' ' LYS . 5.9 mptt -69.88 -9.65 55.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.239 -168.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -91.18 -8.04 49.72 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.192 177.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1592 ' ' LYS . . . . . 0.6 ' HG2' ' O ' ' B' 1589 ' ' ARG . 20.5 ptmt -114.75 147.42 39.77 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 110.259 -178.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1593 ' ' LYS . . . . . . . . . . . . . 91.8 mttt -104.55 128.13 27.56 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.97 174.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1594 ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -73.59 64.84 4.71 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 122.71 2.273 . . . . 0.0 111.806 177.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . -80.0 39.46 0.44 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.583 -177.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 . . . . . 0 C--O 1.244 0.814 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 177.033 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 42.1 t . . . . . 0 N--CA 1.477 0.902 0 CA-C-O 120.887 0.375 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A 1070 ' ' ARG . . . . . 0.441 ' HD3' ' CZ3' ' A' 1105 ' ' TRP . 42.8 ttm180 -91.05 138.05 31.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.225 -178.247 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -137.26 144.74 42.88 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.596 -177.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1072 ' ' VAL . . . . . 0.539 HG11 ' HA ' ' A' 1126 ' ' ILE . 28.9 m -128.1 155.0 39.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.173 175.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1073 ' ' LYS . . . . . 0.433 ' HD2' ' N ' ' A' 1074 ' ' THR . 0.6 OUTLIER -118.59 132.53 56.2 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 175.743 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1074 ' ' THR . . . . . 0.562 ' HA ' HG11 ' A' 1124 ' ' VAL . 65.4 p -71.93 118.52 14.88 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.165 0.507 . . . . 0.0 110.504 -177.226 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1075 ' ' ILE . . . . . 0.547 HG13 ' CD2' ' A' 1076 ' ' TYR . 19.6 pt -97.49 -9.14 9.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.145 -177.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1076 ' ' TYR . . . . . 0.797 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 96.8 m-85 -138.49 175.79 9.26 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.825 177.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1077 ' ' ASP . . . . . 0.483 ' HA ' ' HA ' ' A' 1089 ' ' ILE . 8.0 m-20 -103.75 119.44 38.91 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.922 -1.035 . . . . 0.0 108.564 173.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1078 ' ' CYS . . . . . 0.678 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 52.1 t -129.07 137.15 51.1 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.832 0.349 . . . . 0.0 110.671 -178.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1079 ' ' GLN . . . . . 0.563 ' HA ' HG21 ' A' 1087 ' ' THR . 50.7 tt0 -117.88 142.87 46.85 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.568 0.699 . . . . 0.0 111.101 176.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1080 ' ' ALA . . . . . 0.579 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -88.97 166.76 13.7 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.366 -1.288 . . . . 0.0 111.846 -174.656 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -104.73 -33.26 8.52 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.195 173.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -111.22 146.04 37.65 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.279 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 35.7 t70 -63.14 -19.18 64.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.192 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 19.0 t70 -74.07 -23.73 59.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.255 0.55 . . . . 0.0 110.532 177.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1085 ' ' GLU . . . . . 0.579 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 41.6 mt-10 -90.11 156.64 18.22 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.044 -177.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1086 ' ' LEU . . . . . 0.527 ' HB3' ' HB3' ' A' 1119 ' ' PHE . 11.7 tp -97.3 122.07 39.92 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.82 0.343 . . . . 0.0 111.836 -172.511 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1087 ' ' THR . . . . . 0.563 HG21 ' HA ' ' A' 1079 ' ' GLN . 98.5 m -94.66 119.46 33.33 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 171.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1088 ' ' PHE . . . . . 0.67 ' HE2' ' HD2' ' A' 1120 ' ' PRO . 17.0 p90 -136.69 158.89 43.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.82 -175.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1089 ' ' ILE . . . . . 0.571 HD11 ' H ' ' A' 1089 ' ' ILE . 0.2 OUTLIER -122.97 157.32 28.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 176.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -55.71 123.69 14.97 Favored 'General case' 0 C--O 1.237 0.413 0 O-C-N 123.457 0.473 . . . . 0.0 110.324 -176.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 116.65 -6.3 18.37 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.457 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1092 ' ' GLU . . . . . 0.403 ' HG2' HD11 ' A' 1089 ' ' ILE . 18.9 mm-40 -84.21 154.32 23.11 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.297 0.57 . . . . 0.0 111.295 177.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 97.5 t -121.46 116.92 51.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.849 -177.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1094 ' ' ILE . . . . . 0.58 HG12 HD12 ' A' 1109 ' ' ILE . 9.6 mt -111.04 128.83 67.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.902 0.382 . . . . 0.0 110.822 -174.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 42.5 mm -88.2 120.35 37.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 172.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 43.4 t -80.66 116.8 25.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 120.971 0.415 . . . . 0.0 110.389 -176.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1097 ' ' THR . . . . . 0.498 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 21.5 p -103.33 -17.06 15.45 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.01 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -163.51 -171.82 30.22 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.785 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -157.29 137.53 12.75 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 -176.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -125.81 -36.48 2.39 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.595 0.712 . . . . 0.0 109.627 -177.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1101 ' ' ASP . . . . . 0.69 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 20.7 t70 -123.88 168.32 12.93 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 173.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -71.01 -27.96 64.06 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 122.038 0.923 . . . . 0.0 108.635 177.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -113.83 9.25 17.57 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 113.882 -1.508 . . . . 0.0 110.969 -175.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1104 ' ' TRP . . . . . 0.69 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 71.3 m95 -140.12 106.64 5.32 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-O 121.289 0.566 . . . . 0.0 110.366 176.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1105 ' ' TRP . . . . . 0.441 ' CZ3' ' HD3' ' A' 1070 ' ' ARG . 45.8 m0 -108.16 164.64 12.13 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.906 -176.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1106 ' ' ILE . . . . . 0.627 HG12 HG21 ' A' 1118 ' ' VAL . 46.2 mt -116.27 137.65 49.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.052 -177.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1107 ' ' GLY . . . . . 0.498 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -177.06 -159.62 22.63 Favored Glycine 0 N--CA 1.435 -1.381 0 C-N-CA 120.287 -0.958 . . . . 0.0 112.157 177.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -148.08 150.71 34.38 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1109 ' ' ILE . . . . . 0.946 ' HB ' ' HB2' ' A' 1112 ' ' GLN . 32.5 mm -65.8 132.95 31.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -55.02 -51.19 67.06 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -169.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -90.37 2.06 80.36 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.415 -179.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1112 ' ' GLN . . . . . 0.946 ' HB2' ' HB ' ' A' 1109 ' ' ILE . 40.7 mt-30 -126.45 72.33 72.78 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -64.94 -26.84 58.68 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.841 2.36 . . . . 0.0 113.303 -169.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -79.05 -15.68 57.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.779 0.323 . . . . 0.0 110.995 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1115 ' ' ARG . . . . . 0.533 ' HD2' ' OE1' ' A' 1112 ' ' GLN . 99.5 mtt180 -93.69 89.66 6.29 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 177.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1116 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.52 170.25 9.86 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.491 176.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 154.73 -171.82 33.12 Favored Glycine 0 N--CA 1.441 -1.003 0 C-N-CA 120.646 -0.788 . . . . 0.0 111.948 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1118 ' ' VAL . . . . . 0.627 HG21 HG12 ' A' 1106 ' ' ILE . 12.9 t -100.9 117.27 45.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.063 0.459 . . . . 0.0 110.367 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1119 ' ' PHE . . . . . 0.527 ' HB3' ' HB3' ' A' 1086 ' ' LEU . 19.6 p90 -109.88 143.41 27.86 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.51 -176.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1120 ' ' PRO . . . . . 0.67 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 71.3 Cg_endo -77.57 127.14 8.69 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 122.603 2.202 . . . . 0.0 112.455 178.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1121 ' ' VAL . . . . . 0.587 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 61.6 t -66.12 -15.97 19.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.175 178.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1122 ' ' SER . . . . . 0.483 ' HB2' ' HD1' ' A' 1123 ' ' PHE . 3.0 m -61.8 -25.99 67.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.677 178.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1123 ' ' PHE . . . . . 0.678 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.8 OUTLIER -115.11 4.56 14.66 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.066 0.46 . . . . 0.0 110.869 -175.216 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.587 ' CG2' ' HA ' ' A' 1121 ' ' VAL . 20.5 m -131.2 160.72 42.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.764 -178.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 19.4 t60 -128.48 136.96 51.53 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1126 ' ' ILE . . . . . 0.539 ' HA ' HG11 ' A' 1072 ' ' VAL . 2.1 mp -75.2 124.47 33.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.021 -175.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 2.8 mp -89.22 -26.2 21.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.786 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 12.3 m -72.84 74.49 1.14 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.251 176.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 29.8 t70 . . . . . 0 C--O 1.247 0.923 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.892 -175.23 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 39.9 m . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B 1579 ' ' ILE . . . . . 0.415 HG23 HD11 ' B' 1579 ' ' ILE . 21.6 mt -68.34 126.38 28.08 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.405 0 CA-C-O 120.946 0.403 . . . . 0.0 110.14 176.079 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1580 ' ' ILE . . . . . 0.419 ' O ' ' CE1' ' A' 1076 ' ' TYR . 1.7 mp -78.23 114.03 18.28 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 174.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 75.7 m 55.62 -152.82 0.35 Allowed 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 170.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -91.3 158.32 16.63 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.848 173.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1583 ' ' MET . . . . . 0.626 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 2.1 ttm -59.84 137.83 90.36 Favored Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -174.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1584 ' ' PRO . . . . . 0.797 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 53.6 Cg_endo -88.69 -175.61 1.28 Allowed 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 123.592 2.861 . . . . 0.0 111.071 177.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 19.8 m -115.56 137.54 51.97 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -177.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1586 ' ' LYS . . . . . 0.44 ' C ' ' H ' ' B' 1588 ' ' SER . 24.5 ttmt -55.05 103.53 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 172.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 24.4 t -77.75 24.9 0.21 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.931 -169.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1588 ' ' SER . . . . . 0.44 ' H ' ' C ' ' B' 1586 ' ' LYS . 44.2 m 63.27 125.88 0.01 OUTLIER 'General case' 0 C--O 1.233 0.215 0 CA-C-O 122.072 0.939 . . . . 0.0 112.301 178.223 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1589 ' ' ARG . . . . . 0.606 ' O ' ' HG2' ' B' 1592 ' ' LYS . 63.3 ttt180 -78.01 107.77 10.8 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 174.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1590 ' ' LYS . . . . . 0.415 ' HB2' ' OD1' ' A' 1101 ' ' ASP . 35.2 mttp -77.99 -12.56 60.0 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.999 -168.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -88.31 -13.51 40.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.773 177.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1592 ' ' LYS . . . . . 0.606 ' HG2' ' O ' ' B' 1589 ' ' ARG . 20.7 ptmt -103.24 136.54 42.84 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 175.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1593 ' ' LYS . . . . . . . . . . . . . 63.0 mttp -106.01 122.71 41.47 Favored Pre-proline 0 C--N 1.313 -0.99 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.18 177.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1594 ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -66.12 84.8 0.26 Allowed 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.787 2.324 . . . . 0.0 111.731 178.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . -74.94 69.55 1.9 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.614 177.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 13.9 mm100 . . . . . 0 C--N 1.315 -0.915 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.151 -178.562 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 26.1 t . . . . . 0 N--CA 1.479 0.977 0 CA-C-O 120.79 0.328 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 34.1 ttp180 -138.98 112.11 7.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.253 0.549 . . . . 0.0 110.849 -179.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1071 ' ' ARG . . . . . 0.535 ' HG2' HD12 ' A' 1095 ' ' ILE . 85.2 mtm180 -116.21 171.26 7.93 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.855 176.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1072 ' ' VAL . . . . . 0.549 HG13 ' HA ' ' A' 1126 ' ' ILE . 17.8 m -140.62 142.68 30.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 171.201 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1073 ' ' LYS . . . . . 0.586 ' HB2' HD13 ' A' 1127 ' ' LEU . 0.2 OUTLIER -109.56 131.23 55.26 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.603 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1074 ' ' THR . . . . . 0.597 ' HA ' HG11 ' A' 1124 ' ' VAL . 64.8 p -73.32 111.74 8.73 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.638 0.732 . . . . 0.0 110.082 -178.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1075 ' ' ILE . . . . . 0.598 HG13 ' CD2' ' A' 1076 ' ' TYR . 13.6 pt -93.69 -6.72 10.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.444 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1076 ' ' TYR . . . . . 0.73 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 96.0 m-85 -138.06 174.13 10.89 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 113.918 -1.492 . . . . 0.0 110.126 176.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1077 ' ' ASP . . . . . 0.452 ' HB2' HG22 ' A' 1089 ' ' ILE . 6.9 p-10 -107.1 129.49 54.82 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.121 172.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1078 ' ' CYS . . . . . 0.802 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 45.6 t -138.98 140.16 38.13 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 121.054 0.454 . . . . 0.0 110.517 -178.176 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1079 ' ' GLN . . . . . 0.583 ' HA ' HG23 ' A' 1087 ' ' THR . 2.0 mp0 -108.43 175.92 5.3 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.339 178.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1080 ' ' ALA . . . . . 0.589 ' HA ' ' HG2' ' A' 1085 ' ' GLU . . . -44.25 142.79 1.39 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 113.938 -1.483 . . . . 0.0 114.634 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 26.2 t0 -110.03 -19.26 13.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.44 170.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1082 ' ' ASN . . . . . 0.541 ' HB2' ' HD2' ' B' 1592 ' ' LYS . 3.5 t-20 -159.43 -166.84 1.88 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.418 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 18.4 t70 -69.22 -39.51 78.53 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.892 0.377 . . . . 0.0 111.551 -177.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 28.3 p-10 -103.63 77.4 1.48 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.645 0.736 . . . . 0.0 111.242 -174.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1085 ' ' GLU . . . . . 0.589 ' HG2' ' HA ' ' A' 1080 ' ' ALA . 0.0 OUTLIER -134.76 -173.92 3.44 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.43 0.633 . . . . 0.0 112.085 -178.202 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1086 ' ' LEU . . . . . 0.504 HD13 ' HA ' ' A' 1116 ' ' LYS . 5.9 tt -131.82 104.92 7.15 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.059 -0.973 . . . . 0.0 108.986 172.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1087 ' ' THR . . . . . 0.583 HG23 ' HA ' ' A' 1079 ' ' GLN . 29.9 m -79.91 133.99 36.26 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.846 178.08 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1088 ' ' PHE . . . . . 0.626 ' HE2' ' HB2' ' A' 1119 ' ' PHE . 7.4 p90 -145.82 164.01 33.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.381 0.61 . . . . 0.0 111.954 -174.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1089 ' ' ILE . . . . . 0.505 HD12 ' HG2' ' A' 1092 ' ' GLU . 1.8 pp -129.38 161.75 38.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.333 -0.848 . . . . 0.0 110.077 176.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -55.1 124.28 16.35 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.546 0.529 . . . . 0.0 110.567 -178.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 116.7 -13.67 14.95 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.209 178.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1092 ' ' GLU . . . . . 0.505 ' HG2' HD12 ' A' 1089 ' ' ILE . 62.9 mm-40 -73.75 152.06 40.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.364 0.602 . . . . 0.0 110.975 177.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1093 ' ' VAL . . . . . 0.501 HG22 ' HG2' ' A' 1073 ' ' LYS . 58.5 t -127.34 125.64 66.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.575 179.259 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1094 ' ' ILE . . . . . 0.643 HG12 HD11 ' A' 1109 ' ' ILE . 18.4 mt -119.08 136.34 56.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.151 0.5 . . . . 0.0 112.115 -171.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1095 ' ' ILE . . . . . 0.535 HD12 ' HG2' ' A' 1071 ' ' ARG . 16.6 mm -84.81 116.6 28.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 170.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 27.5 t -77.97 110.04 13.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1097 ' ' THR . . . . . 0.567 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 17.1 p -100.3 -16.27 17.75 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.312 -177.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -167.43 -175.37 37.32 Favored Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 120.362 -0.923 . . . . 0.0 112.872 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1099 ' ' GLU . . . . . 0.409 ' HG3' ' CD1' ' A' 1105 ' ' TRP . 16.7 tt0 -143.48 144.63 32.07 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -122.91 -50.61 1.93 Allowed 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 176.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1101 ' ' ASP . . . . . 0.745 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 23.7 t70 -117.5 168.69 10.15 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 176.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -59.34 -41.01 88.2 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 121.327 0.584 . . . . 0.0 109.967 177.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -111.06 16.04 21.34 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.649 -173.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1104 ' ' TRP . . . . . 0.745 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 75.9 m95 -140.36 104.5 4.8 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.284 0.564 . . . . 0.0 110.55 177.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1105 ' ' TRP . . . . . 0.409 ' CD1' ' HG3' ' A' 1099 ' ' GLU . 45.2 m0 -107.56 166.74 10.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.517 -177.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 53.9 mt -116.36 137.5 49.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.834 -174.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1107 ' ' GLY . . . . . 0.567 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -176.72 -166.62 34.08 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 119.418 -1.372 . . . . 0.0 113.494 177.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1108 ' ' HIS . . . . . 0.582 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 16.3 p-80 -143.02 149.49 38.34 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1109 ' ' ILE . . . . . 0.643 HD11 HG12 ' A' 1094 ' ' ILE . 50.9 mm -58.01 138.38 19.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 123.202 0.314 . . . . 0.0 110.305 -179.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1110 ' ' GLU . . . . . 0.507 ' HG3' HD13 ' A' 1095 ' ' ILE . 16.1 tt0 -48.2 -56.48 7.82 Favored 'General case' 0 N--CA 1.463 0.201 0 O-C-N 123.619 0.575 . . . . 0.0 111.695 -171.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -102.14 25.68 26.93 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.354 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1112 ' ' GLN . . . . . 0.443 ' HB3' ' HB ' ' A' 1109 ' ' ILE . 0.4 OUTLIER -147.72 81.59 8.39 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.096 0.474 . . . . 0.0 110.049 -178.828 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -70.62 -7.62 21.74 Favored 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 123.519 2.812 . . . . 0.0 112.967 -177.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -87.26 -19.06 28.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.355 0.598 . . . . 0.0 109.878 178.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1115 ' ' ARG . . . . . 0.404 ' O ' ' HA ' ' A' 1108 ' ' HIS . 97.2 mtt180 -93.06 95.15 9.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.024 174.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1116 ' ' LYS . . . . . 0.582 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 0.0 OUTLIER -141.86 145.46 34.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.129 0.49 . . . . 0.0 112.063 -179.338 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1117 ' ' GLY . . . . . 0.412 ' HA3' ' O ' ' A' 1085 ' ' GLU . . . 168.41 -161.99 35.74 Favored Glycine 0 N--CA 1.446 -0.641 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.483 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1118 ' ' VAL . . . . . . . . . . . . . 2.6 t -99.34 129.21 50.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1119 ' ' PHE . . . . . 0.626 ' HB2' ' HE2' ' A' 1088 ' ' PHE . 22.9 p90 -126.09 146.79 57.02 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.987 -177.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1120 ' ' PRO . . . . . 0.506 ' HG3' ' SG ' ' A' 1078 ' ' CYS . 72.3 Cg_endo -78.67 128.29 8.51 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.52 2.146 . . . . 0.0 112.342 -179.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1121 ' ' VAL . . . . . 0.577 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 57.7 t -66.5 -16.69 21.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.215 179.118 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1122 ' ' SER . . . . . 0.435 ' HB2' ' CD1' ' A' 1123 ' ' PHE . 0.0 OUTLIER -63.36 -27.37 69.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.757 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1123 ' ' PHE . . . . . 0.802 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.5 OUTLIER -109.77 3.9 21.27 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.289 0.566 . . . . 0.0 110.72 -174.717 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.597 HG11 ' HA ' ' A' 1074 ' ' THR . 12.4 m -129.12 169.41 20.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.505 -179.449 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 72.2 t60 -132.57 135.42 45.92 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1126 ' ' ILE . . . . . 0.549 ' HA ' HG13 ' A' 1072 ' ' VAL . 1.9 mp -76.66 134.57 28.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.427 0.632 . . . . 0.0 111.988 -173.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1127 ' ' LEU . . . . . 0.586 HD13 ' HB2' ' A' 1073 ' ' LYS . 33.9 mt -126.28 86.92 2.59 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.893 -1.049 . . . . 0.0 109.647 178.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 20.1 m -85.95 0.95 51.91 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.951 0.881 . . . . 0.0 109.657 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 C--O 1.249 1.03 0 CA-C-N 114.086 -1.415 . . . . 0.0 108.769 175.903 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 57.8 m . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 6.8 mt -67.18 125.94 25.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.128 0.489 . . . . 0.0 110.061 174.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1580 ' ' ILE . . . . . 0.434 HG21 ' OH ' ' A' 1076 ' ' TYR . 1.6 mp -76.68 132.76 32.33 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.198 175.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 6.2 t 44.55 -138.59 0.39 Allowed 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 121.497 0.665 . . . . 0.0 112.717 172.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -111.87 152.05 28.4 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.822 171.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1583 ' ' MET . . . . . 0.456 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 3.6 ttm -50.83 133.43 28.51 Favored Pre-proline 0 C--N 1.328 -0.339 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 -173.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1584 ' ' PRO . . . . . 0.73 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 95.2 Cg_endo -83.49 -176.04 2.58 Favored 'Trans proline' 0 N--CA 1.449 -1.134 0 C-N-CA 123.295 2.664 . . . . 0.0 110.413 175.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 7.5 m -105.71 128.25 53.56 Favored 'General case' 0 C--N 1.308 -1.198 0 C-N-CA 120.692 -0.403 . . . . 0.0 109.935 -177.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1586 ' ' LYS . . . . . 0.466 ' C ' ' H ' ' B' 1588 ' ' SER . 4.0 tmmt? -63.43 97.12 0.13 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 170.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 13.3 m -72.42 21.0 0.07 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.286 -0.87 . . . . 0.0 113.133 -166.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1588 ' ' SER . . . . . 0.466 ' H ' ' C ' ' B' 1586 ' ' LYS . 17.3 m 65.08 125.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 123.854 0.721 . . . . 0.0 111.046 -178.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1589 ' ' ARG . . . . . 0.621 ' HB3' ' HG3' ' B' 1592 ' ' LYS . 16.4 ttt180 -73.31 105.54 4.75 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.558 0.694 . . . . 0.0 109.442 176.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1590 ' ' LYS . . . . . . . . . . . . . 33.0 mttm -76.53 -6.96 54.11 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.327 -1.306 . . . . 0.0 111.665 -165.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -126.63 31.38 5.35 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.731 177.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1592 ' ' LYS . . . . . 0.621 ' HG3' ' HB3' ' B' 1589 ' ' ARG . 28.6 mtmm -51.1 106.69 0.14 Allowed 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -177.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1593 ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -87.71 161.34 45.09 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.508 177.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1594 ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -86.56 52.94 2.85 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 122.256 1.971 . . . . 0.0 110.68 168.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . 64.73 73.42 0.42 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.927 -174.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.306 -179.912 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 1069 ' ' VAL . . . . . 0.771 HG22 ' H ' ' A' 1070 ' ' ARG . 2.3 m . . . . . 0 N--CA 1.479 0.991 0 CA-C-O 120.596 0.236 . . . . 0.0 111.423 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1070 ' ' ARG . . . . . 0.771 ' H ' HG22 ' A' 1069 ' ' VAL . 26.9 ttm180 -133.09 131.12 40.19 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -178.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1071 ' ' ARG . . . . . 0.446 ' HG2' HD11 ' A' 1095 ' ' ILE . 65.8 mtt85 -113.29 150.0 33.11 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.935 0.398 . . . . 0.0 111.303 178.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1072 ' ' VAL . . . . . 0.572 HG11 ' HA ' ' A' 1126 ' ' ILE . 29.1 m -135.08 136.85 51.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.272 169.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1073 ' ' LYS . . . . . 0.607 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.1 OUTLIER -105.25 134.85 47.68 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 178.138 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1074 ' ' THR . . . . . 0.564 ' HA ' HG11 ' A' 1124 ' ' VAL . 70.5 p -75.51 118.5 18.44 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 121.231 0.539 . . . . 0.0 110.266 -177.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1075 ' ' ILE . . . . . 0.621 HG13 ' CD2' ' A' 1076 ' ' TYR . 21.4 pt -98.14 -7.73 9.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.967 0.889 . . . . 0.0 109.291 179.414 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1076 ' ' TYR . . . . . 0.764 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 96.6 m-85 -136.93 176.41 8.73 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 113.721 -1.581 . . . . 0.0 109.278 176.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -115.26 131.19 57.01 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 173.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1078 ' ' CYS . . . . . 0.761 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 36.7 t -139.12 147.92 42.57 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.794 -175.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1079 ' ' GLN . . . . . 0.507 ' HA ' HG21 ' A' 1087 ' ' THR . 83.6 mt-30 -119.74 155.75 31.87 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.469 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1080 ' ' ALA . . . . . . . . . . . . . . . -59.97 128.57 37.53 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 114.588 -1.187 . . . . 0.0 112.238 -173.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 36.8 t70 -77.51 -23.59 50.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.013 177.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -150.58 -174.96 4.92 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.777 -1.101 . . . . 0.0 108.976 -173.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -69.09 -38.98 79.28 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -175.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -94.32 17.23 13.21 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -171.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -89.54 -173.7 4.06 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 176.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1086 ' ' LEU . . . . . 0.457 HD13 ' CA ' ' A' 1116 ' ' LYS . 8.0 tt -132.56 118.41 19.19 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.072 0.463 . . . . 0.0 110.702 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1087 ' ' THR . . . . . 0.507 HG21 ' HA ' ' A' 1079 ' ' GLN . 96.7 m -81.62 136.75 35.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.453 177.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1088 ' ' PHE . . . . . 0.595 ' HE2' ' HB2' ' A' 1119 ' ' PHE . 20.8 p90 -147.67 154.75 41.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.617 0.246 . . . . 0.0 110.953 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1089 ' ' ILE . . . . . 0.551 HD11 ' H ' ' A' 1089 ' ' ILE . 0.2 OUTLIER -121.64 154.49 25.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 179.644 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1090 ' ' GLU . . . . . 0.486 ' HG3' HG12 ' B' 1579 ' ' ILE . 2.2 tm-20 -54.96 124.64 17.37 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.348 0.405 . . . . 0.0 110.816 -177.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 108.55 -1.06 32.46 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.727 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1092 ' ' GLU . . . . . 0.503 ' HG3' HD13 ' A' 1109 ' ' ILE . 5.5 tp10 -93.17 161.4 14.44 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.938 0.399 . . . . 0.0 110.07 -178.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 69.6 t -127.1 126.44 68.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.819 -175.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1094 ' ' ILE . . . . . 0.527 HG12 HD11 ' A' 1109 ' ' ILE . 13.8 mt -116.51 131.39 69.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.001 0.429 . . . . 0.0 110.831 -177.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1095 ' ' ILE . . . . . 0.446 HD11 ' HG2' ' A' 1071 ' ' ARG . 43.9 mm -89.4 113.11 25.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 174.077 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1096 ' ' VAL . . . . . 0.538 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 42.9 t -77.14 110.95 13.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.085 0.469 . . . . 0.0 110.612 -177.193 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1097 ' ' THR . . . . . 0.464 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 11.1 p -101.59 -13.28 17.91 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.124 -177.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -166.7 -176.25 37.59 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.529 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -146.05 148.74 32.99 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 -179.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -130.03 -45.16 1.15 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.458 0.647 . . . . 0.0 109.421 175.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1101 ' ' ASP . . . . . 0.564 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 13.4 t70 -114.59 177.18 4.74 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 176.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -74.53 -36.66 63.15 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 172.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1103 ' ' GLU . . . . . 0.589 ' OE1' ' HB2' ' B' 1587 ' ' SER . 21.9 tt0 -102.96 2.39 35.0 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 114.364 -1.289 . . . . 0.0 110.601 -174.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1104 ' ' TRP . . . . . 0.564 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 74.3 m95 -136.15 108.72 7.44 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.446 0.641 . . . . 0.0 110.9 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 46.9 m0 -109.7 167.99 9.74 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.364 -178.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1106 ' ' ILE . . . . . 0.608 HG12 HG22 ' A' 1118 ' ' VAL . 57.2 mt -116.09 136.16 53.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.608 -177.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1107 ' ' GLY . . . . . 0.464 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -172.64 -162.67 25.16 Favored Glycine 0 N--CA 1.436 -1.36 0 C-N-CA 119.776 -1.202 . . . . 0.0 112.426 178.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 26.8 p-80 -147.93 143.22 27.19 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -177.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1109 ' ' ILE . . . . . 0.568 HG22 ' HG2' ' A' 1112 ' ' GLN . 30.1 mm -58.62 136.67 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 177.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -71.14 -39.92 71.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.038 -175.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -71.15 -41.61 59.79 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.23 178.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1112 ' ' GLN . . . . . 0.568 ' HG2' HG22 ' A' 1109 ' ' ILE . 4.3 pt20 -125.37 80.55 65.19 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-O 122.219 1.009 . . . . 0.0 109.885 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1113 ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' 1112 ' ' GLN . 24.1 Cg_endo -61.37 -13.28 28.02 Favored 'Trans proline' 0 N--CA 1.472 0.234 0 C-N-CA 123.955 3.104 . . . . 0.0 114.115 -171.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -80.95 -11.02 59.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.98 0.419 . . . . 0.0 110.238 -178.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 65.2 mtt-85 -90.31 98.22 11.65 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 169.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1116 ' ' LYS . . . . . 0.606 ' H ' ' HD3' ' A' 1116 ' ' LYS . 0.0 OUTLIER -129.85 159.5 36.39 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.081 -179.472 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 156.61 -162.97 31.9 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1118 ' ' VAL . . . . . 0.608 HG22 HG12 ' A' 1106 ' ' ILE . 4.7 t -101.21 130.65 50.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.965 0.412 . . . . 0.0 110.613 -179.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1119 ' ' PHE . . . . . 0.595 ' HB2' ' HE2' ' A' 1088 ' ' PHE . 28.8 p90 -126.88 146.1 56.17 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.192 -176.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1120 ' ' PRO . . . . . 0.554 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 42.9 Cg_endo -75.06 120.36 6.02 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 122.668 2.245 . . . . 0.0 112.601 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1121 ' ' VAL . . . . . 0.538 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 81.3 t -61.79 -18.22 18.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.364 177.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 8.3 t -62.28 -25.17 67.7 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.572 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1123 ' ' PHE . . . . . 0.761 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.5 OUTLIER -109.09 1.3 20.36 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.209 0.528 . . . . 0.0 111.123 -174.758 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.564 HG11 ' HA ' ' A' 1074 ' ' THR . 16.2 m -128.17 171.51 16.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.044 -177.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 33.3 t60 -133.85 131.86 39.7 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.173 0.511 . . . . 0.0 110.345 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1126 ' ' ILE . . . . . 0.572 ' HA ' HG11 ' A' 1072 ' ' VAL . 1.8 mp -68.71 135.61 28.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.847 -177.183 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1127 ' ' LEU . . . . . 0.607 HD11 ' HB2' ' A' 1073 ' ' LYS . 32.1 mt -114.55 52.04 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.461 -177.073 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 32.5 p -92.01 5.62 49.46 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.736 0.779 . . . . 0.0 110.098 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 22.3 t70 . . . . . 0 C--O 1.25 1.111 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.361 -179.59 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 73.3 m . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B 1579 ' ' ILE . . . . . 0.486 HG12 ' HG3' ' A' 1090 ' ' GLU . 10.2 mt -66.67 122.59 17.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-O 121.013 0.435 . . . . 0.0 110.594 179.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1580 ' ' ILE . . . . . 0.42 HD11 ' HB ' ' A' 1075 ' ' ILE . 1.6 mp -76.06 126.36 36.69 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.16 174.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 49.5 m 51.07 -143.51 0.63 Allowed 'General case' 0 C--N 1.323 -0.575 0 O-C-N 123.589 0.555 . . . . 0.0 112.188 172.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -108.78 160.7 15.76 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 168.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1583 ' ' MET . . . . . 0.59 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 2.2 ttm -52.07 137.65 36.99 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -172.627 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1584 ' ' PRO . . . . . 0.764 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 60.4 Cg_endo -87.9 -176.55 1.7 Allowed 'Trans proline' 0 N--CA 1.451 -1.001 0 C-N-CA 123.481 2.787 . . . . 0.0 110.57 176.125 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 7.2 m -105.22 134.0 49.06 Favored 'General case' 0 C--N 1.312 -1.032 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.744 -175.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1586 ' ' LYS . . . . . 0.442 ' C ' ' H ' ' B' 1588 ' ' SER . 20.9 ttmt -68.37 93.05 0.45 Allowed 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 167.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1587 ' ' SER . . . . . 0.589 ' HB2' ' OE1' ' A' 1103 ' ' GLU . 2.9 m -77.19 24.89 0.17 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.978 -167.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1588 ' ' SER . . . . . 0.442 ' H ' ' C ' ' B' 1586 ' ' LYS . 46.0 m 65.2 134.36 0.02 OUTLIER 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.724 0.773 . . . . 0.0 111.355 -178.281 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1589 ' ' ARG . . . . . 0.478 ' HA ' ' CD1' ' A' 1104 ' ' TRP . 6.9 ttt180 -76.55 101.05 5.51 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.661 0.744 . . . . 0.0 109.189 176.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1590 ' ' LYS . . . . . . . . . . . . . 14.9 mtmm -71.79 -25.31 61.96 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.325 -1.307 . . . . 0.0 111.742 -169.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -76.23 -13.78 60.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.706 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1592 ' ' LYS . . . . . 0.422 ' HG2' ' HB3' ' B' 1589 ' ' ARG . 12.5 ptmt -113.19 148.13 36.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.012 0.434 . . . . 0.0 110.218 178.36 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1593 ' ' LYS . . . . . 0.416 ' HA ' ' HD2' ' B' 1594 ' ' PRO . 67.4 mttm -109.2 125.03 32.38 Favored Pre-proline 0 C--N 1.318 -0.78 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.248 -179.095 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1594 ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' B' 1593 ' ' LYS . 22.6 Cg_endo -63.13 89.45 0.13 Allowed 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 122.248 1.965 . . . . 0.0 110.468 170.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . -47.16 141.58 4.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.438 -176.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.64 -0.695 . . . . 0.0 109.555 -179.019 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 14.2 m . . . . . 0 N--CA 1.482 1.153 0 CA-C-O 121.051 0.453 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 1070 ' ' ARG . . . . . 0.509 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 44.1 ttm180 -130.22 149.21 52.02 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 175.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1071 ' ' ARG . . . . . 0.536 ' HD2' HD23 ' A' 1127 ' ' LEU . 31.1 ttm180 -123.57 146.95 47.75 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 120.154 -0.618 . . . . 0.0 109.729 -178.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1072 ' ' VAL . . . . . 0.577 HG11 ' HA ' ' A' 1126 ' ' ILE . 27.0 m -132.64 145.47 34.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 173.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1073 ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' 1074 ' ' THR . 0.4 OUTLIER -111.93 131.62 55.26 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 177.402 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1074 ' ' THR . . . . . 0.574 ' HA ' HG12 ' A' 1124 ' ' VAL . 49.4 p -74.86 123.87 25.83 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.169 0.509 . . . . 0.0 110.584 -175.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1075 ' ' ILE . . . . . 0.654 HG13 ' CD2' ' A' 1076 ' ' TYR . 23.9 pt -102.02 -3.27 9.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.396 0.617 . . . . 0.0 110.776 -178.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1076 ' ' TYR . . . . . 0.769 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 95.5 m-85 -139.33 173.97 11.0 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.169 178.292 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -106.27 105.1 14.97 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 177.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1078 ' ' CYS . . . . . 0.644 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 44.5 t -117.74 152.44 35.26 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.017 0.437 . . . . 0.0 110.644 -174.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1079 ' ' GLN . . . . . 0.561 ' HA ' HG21 ' A' 1087 ' ' THR . 29.6 tt0 -132.18 148.86 52.49 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.518 178.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1080 ' ' ALA . . . . . 0.448 ' HB3' ' HB2' ' A' 1085 ' ' GLU . . . -68.01 136.15 53.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.795 -179.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.77 -42.87 11.66 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 177.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1082 ' ' ASN . . . . . 0.507 ' HB3' ' HZ2' ' B' 1592 ' ' LYS . 7.7 t-20 -109.46 -174.53 2.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.764 176.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 18.4 t70 -74.63 -39.37 62.15 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -172.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -87.05 14.26 7.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.986 0.422 . . . . 0.0 111.769 -170.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1085 ' ' GLU . . . . . 0.448 ' HB2' ' HB3' ' A' 1080 ' ' ALA . 93.1 mt-10 -105.0 164.17 11.99 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.658 0.266 . . . . 0.0 110.489 -178.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1086 ' ' LEU . . . . . 0.546 ' HB3' ' HB3' ' A' 1119 ' ' PHE . 12.7 tp -101.26 130.62 47.43 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.016 0.436 . . . . 0.0 111.951 -172.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1087 ' ' THR . . . . . 0.561 HG21 ' HA ' ' A' 1079 ' ' GLN . 60.2 m -98.71 116.92 32.01 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 170.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1088 ' ' PHE . . . . . 0.52 ' CE1' ' HD2' ' A' 1120 ' ' PRO . 25.6 p90 -139.56 136.79 34.81 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.964 0.412 . . . . 0.0 110.609 -175.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1089 ' ' ILE . . . . . 0.523 HD11 ' HB2' ' A' 1092 ' ' GLU . 1.8 pp -101.43 160.53 3.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.35 -178.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -60.5 127.36 31.32 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -177.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 105.18 -1.52 40.62 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.613 -0.803 . . . . 0.0 111.9 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1092 ' ' GLU . . . . . 0.523 ' HB2' HD11 ' A' 1089 ' ' ILE . 3.9 tp10 -85.02 160.89 19.93 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.118 0.485 . . . . 0.0 110.174 179.029 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 96.6 t -128.02 120.25 53.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.326 -175.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1094 ' ' ILE . . . . . 0.527 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 10.0 mt -113.84 133.58 59.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.968 0.413 . . . . 0.0 110.956 -176.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 47.8 mm -92.5 116.62 34.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 173.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1096 ' ' VAL . . . . . 0.509 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 48.1 t -79.98 114.66 21.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.968 0.413 . . . . 0.0 110.508 -176.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1097 ' ' THR . . . . . 0.512 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 7.8 p -102.47 -19.77 14.78 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.275 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -158.76 -174.77 28.9 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.492 -0.861 . . . . 0.0 113.034 -178.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1099 ' ' GLU . . . . . 0.477 ' HG3' ' CD1' ' A' 1105 ' ' TRP . 15.2 tt0 -153.71 131.76 11.78 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 -177.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -117.81 -34.63 4.14 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.129 0.49 . . . . 0.0 109.927 -177.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1101 ' ' ASP . . . . . 0.571 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 23.8 t70 -134.3 171.47 14.22 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 174.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1102 ' ' GLN . . . . . 0.591 ' HG2' ' N ' ' A' 1103 ' ' GLU . 0.0 OUTLIER -65.8 -34.66 78.68 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.489 0.661 . . . . 0.0 109.726 -179.912 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1103 ' ' GLU . . . . . 0.591 ' N ' ' HG2' ' A' 1102 ' ' GLN . 31.3 tt0 -109.96 9.77 24.35 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.142 -175.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1104 ' ' TRP . . . . . 0.571 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 80.2 m95 -137.89 104.05 5.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.056 0.455 . . . . 0.0 110.713 179.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1105 ' ' TRP . . . . . 0.477 ' CD1' ' HG3' ' A' 1099 ' ' GLU . 44.8 m0 -108.13 164.13 12.57 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.491 -177.256 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1106 ' ' ILE . . . . . 0.686 HG12 HG22 ' A' 1118 ' ' VAL . 49.4 mt -116.45 136.02 54.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.042 -174.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1107 ' ' GLY . . . . . 0.512 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -177.34 -161.79 26.48 Favored Glycine 0 N--CA 1.437 -1.234 0 C-N-CA 119.961 -1.114 . . . . 0.0 112.901 177.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 12.4 p-80 -145.56 150.61 36.71 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -178.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1109 ' ' ILE . . . . . 0.805 ' HB ' ' HB2' ' A' 1112 ' ' GLN . 44.2 mm -66.69 134.06 30.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.681 -178.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -70.64 114.29 8.59 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 98.1 -9.37 63.38 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.431 -175.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1112 ' ' GLN . . . . . 0.805 ' HB2' ' HB ' ' A' 1109 ' ' ILE . 39.2 mt-30 -133.61 69.09 76.56 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 177.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -71.42 -12.83 30.04 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 123.24 2.627 . . . . 0.0 112.396 -173.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1114 ' ' GLU . . . . . 0.459 ' HG3' ' HG3' ' A' 1115 ' ' ARG . 13.3 pt-20 -81.54 -16.27 52.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.301 0.572 . . . . 0.0 110.199 177.364 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1115 ' ' ARG . . . . . 0.459 ' HG3' ' HG3' ' A' 1114 ' ' GLU . 94.7 mtt180 -105.51 90.62 3.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.053 -179.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1116 ' ' LYS . . . . . 0.474 ' H ' ' HD3' ' A' 1116 ' ' LYS . 0.0 OUTLIER -125.36 161.26 27.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.451 -178.805 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 161.36 -171.36 37.35 Favored Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 120.589 -0.815 . . . . 0.0 111.923 178.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1118 ' ' VAL . . . . . 0.686 HG22 HG12 ' A' 1106 ' ' ILE . 21.6 t -98.34 121.32 48.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.021 0.438 . . . . 0.0 110.311 178.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1119 ' ' PHE . . . . . 0.546 ' HB3' ' HB3' ' A' 1086 ' ' LEU . 19.2 p90 -114.86 143.22 29.65 Favored Pre-proline 0 C--N 1.319 -0.758 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.695 -176.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1120 ' ' PRO . . . . . 0.52 ' HD2' ' CE1' ' A' 1088 ' ' PHE . 56.3 Cg_endo -74.54 127.19 10.81 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.699 2.266 . . . . 0.0 112.264 176.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1121 ' ' VAL . . . . . 0.548 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 70.8 t -66.47 -16.32 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.119 178.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -25.64 67.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.166 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1123 ' ' PHE . . . . . 0.644 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.6 OUTLIER -110.25 1.72 18.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.052 0.453 . . . . 0.0 111.007 -174.776 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.574 HG12 ' HA ' ' A' 1074 ' ' THR . 16.1 m -125.57 174.97 8.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.365 179.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 20.2 t60 -137.6 135.54 36.71 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1126 ' ' ILE . . . . . 0.577 ' HA ' HG11 ' A' 1072 ' ' VAL . 1.8 mp -67.58 125.3 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.787 -175.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1127 ' ' LEU . . . . . 0.536 HD23 ' HD2' ' A' 1071 ' ' ARG . 6.2 tp -104.77 -62.31 1.35 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.452 -175.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 70.9 m 53.38 65.75 1.43 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.551 -178.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 1129 ' ' ASP . . . . . 0.461 ' OD2' ' HG ' ' A' 1127 ' ' LEU . 45.6 m-20 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.842 -0.599 . . . . 0.0 109.988 175.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 64.2 m . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 16.7 mt -66.16 122.01 16.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.045 0.45 . . . . 0.0 110.175 179.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1580 ' ' ILE . . . . . 0.483 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.7 mp -75.58 113.52 14.54 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 174.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 48.7 m 56.66 -154.31 0.34 Allowed 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 170.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -91.22 158.16 16.76 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 171.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1583 ' ' MET . . . . . 0.68 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 1.5 ttm -60.19 141.0 90.97 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -173.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1584 ' ' PRO . . . . . 0.769 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 89.1 Cg_endo -86.73 -175.94 1.82 Allowed 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 123.559 2.839 . . . . 0.0 110.955 175.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 23.2 m -111.71 132.47 54.6 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 -176.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1586 ' ' LYS . . . . . 0.429 ' C ' ' H ' ' B' 1588 ' ' SER . 37.1 ttmt -61.39 102.03 0.21 Allowed 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 170.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 8.3 t -74.51 7.89 2.65 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.214 -171.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1588 ' ' SER . . . . . 0.429 ' H ' ' C ' ' B' 1586 ' ' LYS . 51.0 m 65.77 150.11 0.05 OUTLIER 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 121.923 0.868 . . . . 0.0 110.941 -176.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1589 ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -91.93 112.93 25.06 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.82 -175.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1590 ' ' LYS . . . . . 0.605 ' H ' ' HD2' ' B' 1590 ' ' LYS . 0.1 OUTLIER -60.79 -35.82 77.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.305 -172.078 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -85.2 32.16 0.55 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.3 0.571 . . . . 0.0 110.718 177.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1592 ' ' LYS . . . . . 0.507 ' HZ2' ' HB3' ' A' 1082 ' ' ASN . 25.5 ttmt -146.98 120.01 8.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.908 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1593 ' ' LYS . . . . . . . . . . . . . 94.6 mttt -108.21 106.06 57.84 Favored Pre-proline 0 C--N 1.319 -0.747 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 168.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1594 ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -70.75 74.45 1.73 Allowed 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 123.095 2.53 . . . . 0.0 112.438 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . -75.73 76.81 2.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.202 175.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.547 -0.739 . . . . 0.0 109.535 178.873 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 121.246 0.546 . . . . 0.0 111.265 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 1070 ' ' ARG . . . . . 0.736 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 35.1 ttm-85 -111.87 143.14 43.33 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 175.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 17.8 ttt180 -117.91 128.91 55.27 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.043 0.449 . . . . 0.0 111.016 -176.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1072 ' ' VAL . . . . . 0.593 HG11 ' HA ' ' A' 1126 ' ' ILE . 15.1 m -130.17 157.99 42.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.725 177.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1073 ' ' LYS . . . . . 0.546 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.3 OUTLIER -123.13 136.12 54.64 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1074 ' ' THR . . . . . 0.564 ' HA ' HG11 ' A' 1124 ' ' VAL . 60.3 p -74.65 117.59 16.65 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 121.332 0.587 . . . . 0.0 110.243 -178.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1075 ' ' ILE . . . . . 0.607 HG13 ' CD2' ' A' 1076 ' ' TYR . 16.0 pt -98.46 0.43 10.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 121.595 0.712 . . . . 0.0 110.137 -178.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1076 ' ' TYR . . . . . 0.781 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 87.8 m-85 -143.15 172.89 12.12 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.424 -1.262 . . . . 0.0 110.916 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 5.3 t70 -104.61 127.57 52.39 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 174.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1078 ' ' CYS . . . . . 0.655 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 41.1 t -140.15 147.71 40.57 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-O 120.965 0.412 . . . . 0.0 110.636 -173.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1079 ' ' GLN . . . . . 0.494 ' HA ' HG23 ' A' 1087 ' ' THR . 29.8 tt0 -133.44 148.6 51.77 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.923 -179.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1080 ' ' ALA . . . . . 0.506 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -60.27 133.82 56.46 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.724 -1.125 . . . . 0.0 112.156 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1081 ' ' ASP . . . . . 0.838 ' HB2' ' HE3' ' B' 1586 ' ' LYS . 21.0 t70 -85.63 -48.65 8.68 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 173.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -102.88 -177.41 3.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.331 -0.849 . . . . 0.0 108.905 173.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 17.1 t70 -72.78 -36.25 67.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 118.018 0.372 . . . . 0.0 111.022 -175.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 37.9 t70 -92.99 53.29 1.96 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.61 0.719 . . . . 0.0 110.102 -176.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1085 ' ' GLU . . . . . 0.506 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 45.5 mt-10 -133.35 153.6 51.45 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.383 174.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1086 ' ' LEU . . . . . 0.414 HD22 ' HB3' ' A' 1119 ' ' PHE . 15.6 tp -91.39 124.07 35.3 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.813 0.339 . . . . 0.0 111.235 -176.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1087 ' ' THR . . . . . 0.494 HG23 ' HA ' ' A' 1079 ' ' GLN . 89.7 m -94.53 116.77 29.17 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 170.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1088 ' ' PHE . . . . . 0.701 ' HE1' ' HD2' ' A' 1120 ' ' PRO . 32.0 p90 -136.83 144.25 43.55 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.383 -175.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1089 ' ' ILE . . . . . 0.662 HD11 ' H ' ' A' 1089 ' ' ILE . 0.2 OUTLIER -109.89 156.59 10.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.713 -175.478 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1090 ' ' GLU . . . . . 0.583 ' HG3' HG12 ' B' 1579 ' ' ILE . 2.9 tm-20 -59.85 124.57 20.59 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.39 -176.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 108.74 -1.34 32.08 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.665 -179.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1092 ' ' GLU . . . . . 0.432 ' HG3' HD12 ' A' 1109 ' ' ILE . 4.2 tp10 -91.55 161.51 14.92 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -179.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 41.9 t -126.8 139.5 51.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -177.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1094 ' ' ILE . . . . . 0.45 HG12 HD13 ' A' 1109 ' ' ILE . 18.0 mt -126.83 135.82 62.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.024 0.44 . . . . 0.0 110.972 -177.104 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1095 ' ' ILE . . . . . 0.499 HG12 ' HG2' ' A' 1110 ' ' GLU . 39.8 mm -94.37 111.99 26.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 172.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1096 ' ' VAL . . . . . 0.736 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 41.1 t -76.6 115.64 18.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.359 -178.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 17.8 p -99.69 -21.04 15.99 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.807 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -164.0 -176.3 35.73 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.581 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -136.11 138.18 41.78 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1100 ' ' GLU . . . . . 0.563 ' OE1' ' HD2' ' B' 1589 ' ' ARG . 34.0 tt0 -114.95 -30.32 6.43 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.749 0.785 . . . . 0.0 109.395 -178.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1101 ' ' ASP . . . . . 0.765 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 27.8 t70 -145.9 179.67 7.31 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.776 -1.102 . . . . 0.0 108.728 177.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -66.08 -47.37 74.48 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.183 0.516 . . . . 0.0 109.98 176.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -106.52 16.93 24.02 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.581 -174.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1104 ' ' TRP . . . . . 0.765 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 68.4 m95 -141.15 107.63 5.3 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.599 179.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 45.2 m0 -111.49 166.17 11.37 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.753 -176.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1106 ' ' ILE . . . . . 0.496 HD13 ' HB2' ' A' 1100 ' ' GLU . 23.1 mt -116.6 137.02 51.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.105 -175.177 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -178.43 -159.73 23.44 Favored Glycine 0 N--CA 1.439 -1.119 0 C-N-CA 119.876 -1.154 . . . . 0.0 112.928 176.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -145.55 150.68 36.86 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 -177.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1109 ' ' ILE . . . . . 0.633 ' HB ' ' HB3' ' A' 1112 ' ' GLN . 33.1 mm -61.98 137.69 23.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.23 -177.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1110 ' ' GLU . . . . . 0.499 ' HG2' HG12 ' A' 1095 ' ' ILE . 0.5 OUTLIER -62.87 104.25 0.53 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.536 179.531 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 100.24 -7.69 58.57 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.986 -0.626 . . . . 0.0 111.721 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1112 ' ' GLN . . . . . 0.633 ' HB3' ' HB ' ' A' 1109 ' ' ILE . 6.3 tp60 -134.9 78.8 53.41 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.22 -22.59 66.86 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.741 2.294 . . . . 0.0 112.013 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -63.99 -33.32 75.48 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.621 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -88.79 90.09 8.26 Favored 'General case' 0 N--CA 1.439 -0.987 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1116 ' ' LYS . . . . . 0.51 ' H ' ' HD3' ' A' 1116 ' ' LYS . 0.2 OUTLIER -131.35 155.96 46.34 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.109 -178.46 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 160.42 -160.85 32.15 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.903 -0.665 . . . . 0.0 111.723 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1118 ' ' VAL . . . . . . . . . . . . . 6.4 t -104.44 120.42 54.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.874 0.369 . . . . 0.0 110.178 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1119 ' ' PHE . . . . . 0.582 ' HZ ' HG23 ' A' 1096 ' ' VAL . 22.1 p90 -113.28 138.29 22.35 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 115.925 -0.579 . . . . 0.0 112.009 -177.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1120 ' ' PRO . . . . . 0.701 ' HD2' ' HE1' ' A' 1088 ' ' PHE . 46.6 Cg_endo -71.25 128.01 14.14 Favored 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 122.979 2.453 . . . . 0.0 112.34 175.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1121 ' ' VAL . . . . . 0.554 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 48.8 t -67.79 -15.14 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.122 178.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.01 -24.92 68.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.971 178.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1123 ' ' PHE . . . . . 0.655 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.6 OUTLIER -111.96 3.49 17.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.114 0.483 . . . . 0.0 110.879 -174.73 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.564 HG11 ' HA ' ' A' 1074 ' ' THR . 16.0 m -130.69 166.1 29.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.72 -179.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 54.9 t60 -133.02 134.69 44.77 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1126 ' ' ILE . . . . . 0.593 ' HA ' HG11 ' A' 1072 ' ' VAL . 2.5 mp -77.65 125.55 37.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.991 -175.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1127 ' ' LEU . . . . . 0.546 HD11 ' HB2' ' A' 1073 ' ' LYS . 54.7 mt -113.44 86.19 2.34 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.43 0.634 . . . . 0.0 110.74 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 21.2 t -104.42 13.35 32.08 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.176 175.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 11.5 p-10 . . . . . 0 C--O 1.243 0.734 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.768 -177.416 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 62.7 m . . . . . 0 N--CA 1.477 0.918 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B 1579 ' ' ILE . . . . . 0.583 HG12 ' HG3' ' A' 1090 ' ' GLU . 20.1 mt -67.29 127.53 29.01 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.351 0 CA-C-O 121.224 0.535 . . . . 0.0 110.19 175.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1580 ' ' ILE . . . . . 0.415 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.6 mp -75.7 122.03 28.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.686 176.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1581 ' ' SER . . . . . 0.489 ' HB2' ' HH ' ' A' 1076 ' ' TYR . 49.0 m 54.95 -149.66 0.44 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.906 0.384 . . . . 0.0 111.624 173.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -94.55 163.34 13.43 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 168.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1583 ' ' MET . . . . . 0.611 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 4.9 ttm -63.57 138.58 97.41 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -175.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1584 ' ' PRO . . . . . 0.781 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 78.2 Cg_endo -84.28 -174.93 1.98 Allowed 'Trans proline' 0 N--CA 1.449 -1.123 0 C-N-CA 123.312 2.675 . . . . 0.0 110.713 175.308 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 25.9 m -120.9 137.54 54.54 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 -177.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1586 ' ' LYS . . . . . 0.838 ' HE3' ' HB2' ' A' 1081 ' ' ASP . 19.9 ttmm -59.08 103.9 0.2 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 174.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 25.7 m -72.62 16.29 0.15 Allowed 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -170.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1588 ' ' SER . . . . . 0.437 ' H ' ' C ' ' B' 1586 ' ' LYS . 13.4 m 64.4 115.23 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.742 0.782 . . . . 0.0 111.293 -178.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1589 ' ' ARG . . . . . 0.598 ' HB3' ' HG2' ' B' 1592 ' ' LYS . 13.0 ttp180 -64.62 113.65 3.88 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.163 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1590 ' ' LYS . . . . . 0.594 ' H ' ' HD2' ' B' 1590 ' ' LYS . 0.1 OUTLIER -68.15 -15.43 63.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.21 0.529 . . . . 0.0 110.4 -175.746 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -81.25 -29.6 34.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.22 177.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1592 ' ' LYS . . . . . 0.598 ' HG2' ' HB3' ' B' 1589 ' ' ARG . 21.7 ptmt -87.99 151.44 22.78 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1593 ' ' LYS . . . . . 0.505 ' HD2' ' N ' ' B' 1593 ' ' LYS . 11.2 mptt -103.48 126.96 30.65 Favored Pre-proline 0 C--N 1.314 -0.951 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1594 ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' B' 1593 ' ' LYS . 18.8 Cg_exo -67.4 69.8 0.67 Allowed 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.951 2.434 . . . . 0.0 112.021 178.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . -144.02 176.63 9.15 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.808 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 . . . . . 0 C--O 1.246 0.89 0 CA-C-O 118.546 -0.74 . . . . 0.0 110.346 -177.529 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 121.426 0.631 . . . . 0.0 111.365 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -92.7 111.36 22.93 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.795 176.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -103.96 137.74 41.51 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.199 -173.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1072 ' ' VAL . . . . . 0.591 HG11 ' HA ' ' A' 1126 ' ' ILE . 9.6 m -132.41 163.23 38.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.95 177.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1073 ' ' LYS . . . . . 0.506 ' HD2' ' N ' ' A' 1074 ' ' THR . 0.4 OUTLIER -131.07 140.55 50.06 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 179.054 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1074 ' ' THR . . . . . 0.601 ' HA ' HG12 ' A' 1124 ' ' VAL . 46.2 p -78.72 121.3 24.55 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.267 0.556 . . . . 0.0 110.877 -177.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1075 ' ' ILE . . . . . 0.515 HG13 ' CD2' ' A' 1076 ' ' TYR . 14.2 pt -98.95 -8.19 9.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.588 0.709 . . . . 0.0 110.141 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1076 ' ' TYR . . . . . 0.8 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 96.7 m-85 -137.08 177.34 7.94 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.727 -1.124 . . . . 0.0 110.199 176.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -113.75 130.21 56.47 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.405 173.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1078 ' ' CYS . . . . . 0.671 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 48.6 t -134.99 151.66 51.03 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.181 -175.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1079 ' ' GLN . . . . . 0.535 ' HA ' HG22 ' A' 1087 ' ' THR . 52.8 tt0 -125.98 144.15 50.81 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.263 0.554 . . . . 0.0 110.86 177.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1080 ' ' ALA . . . . . 0.522 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -75.55 149.38 38.36 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.632 -1.167 . . . . 0.0 112.112 -177.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1081 ' ' ASP . . . . . 0.53 ' CG ' ' HZ3' ' B' 1586 ' ' LYS . 66.7 m-20 -96.79 -46.9 6.08 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 171.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 52.5 t30 -104.56 153.96 20.52 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 113.701 -1.591 . . . . 0.0 110.208 -175.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -57.94 -27.55 63.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.919 -1.037 . . . . 0.0 113.329 -167.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 1.1 p30 -100.12 12.15 37.64 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -175.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1085 ' ' GLU . . . . . 0.734 ' HG2' HH11 ' B' 1589 ' ' ARG . 42.8 mt-10 -96.18 163.53 13.06 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 176.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1086 ' ' LEU . . . . . 0.457 ' HB3' ' HB3' ' A' 1119 ' ' PHE . 12.3 tp -103.7 123.26 46.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.884 0.373 . . . . 0.0 111.683 -172.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1087 ' ' THR . . . . . 0.535 HG22 ' HA ' ' A' 1079 ' ' GLN . 91.3 m -94.6 116.62 28.98 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 170.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1088 ' ' PHE . . . . . 0.797 ' HE2' ' HD2' ' A' 1120 ' ' PRO . 39.8 p90 -136.58 152.4 50.42 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.529 -175.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1089 ' ' ILE . . . . . 0.528 HD11 ' H ' ' A' 1089 ' ' ILE . 0.2 OUTLIER -117.1 159.16 17.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.169 177.2 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -55.89 124.3 17.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.939 -177.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 116.39 -11.03 16.75 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.336 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1092 ' ' GLU . . . . . 0.448 ' HA ' ' OE1' ' A' 1092 ' ' GLU . 3.6 mm-40 -78.54 153.37 31.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.344 0.592 . . . . 0.0 110.813 178.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 58.6 t -119.26 132.69 68.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.111 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1094 ' ' ILE . . . . . 0.597 HG12 HD11 ' A' 1109 ' ' ILE . 19.7 mt -124.54 133.97 67.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.074 0.464 . . . . 0.0 111.133 -174.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 50.7 mm -95.67 113.28 29.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 172.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1096 ' ' VAL . . . . . 0.443 HG23 ' HZ ' ' A' 1119 ' ' PHE . 30.0 t -76.53 115.44 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.595 -175.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1097 ' ' THR . . . . . 0.505 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 4.1 p -97.45 -26.01 14.99 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 179.214 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -153.35 -171.35 20.49 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.624 -177.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1099 ' ' GLU . . . . . 0.406 ' HA ' ' HA ' ' A' 1105 ' ' TRP . 0.4 OUTLIER -156.92 133.89 10.3 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 -178.172 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -116.59 -34.58 4.49 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.471 0.653 . . . . 0.0 109.538 -178.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1101 ' ' ASP . . . . . 0.749 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 12.1 t70 -130.72 172.71 11.67 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.858 -1.065 . . . . 0.0 108.693 -178.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -69.53 -36.73 76.69 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.609 0.719 . . . . 0.0 109.084 177.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -112.97 16.26 19.43 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.62 -175.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1104 ' ' TRP . . . . . 0.749 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 79.1 m95 -141.33 107.88 5.32 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.8 177.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1105 ' ' TRP . . . . . 0.406 ' HA ' ' HA ' ' A' 1099 ' ' GLU . 43.6 m0 -112.4 164.19 13.55 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.656 -176.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1106 ' ' ILE . . . . . 0.795 HG12 HG21 ' A' 1118 ' ' VAL . 52.1 mt -116.64 136.56 53.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.907 -174.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1107 ' ' GLY . . . . . 0.505 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -176.69 -163.61 29.28 Favored Glycine 0 N--CA 1.441 -1.027 0 C-N-CA 119.894 -1.146 . . . . 0.0 112.648 178.051 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -139.37 149.04 43.68 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -177.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1109 ' ' ILE . . . . . 0.674 ' HB ' ' HB2' ' A' 1112 ' ' GLN . 49.7 mm -62.89 135.23 27.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -48.84 -63.18 1.17 Allowed 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.52 0.512 . . . . 0.0 111.62 -172.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -91.74 12.76 68.53 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.642 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1112 ' ' GLN . . . . . 0.674 ' HB2' ' HB ' ' A' 1109 ' ' ILE . 22.2 mm-40 -137.21 74.11 49.57 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 121.161 0.505 . . . . 0.0 110.312 178.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -69.75 -4.26 13.67 Favored 'Trans proline' 0 C--N 1.339 0.036 0 C-N-CA 123.367 2.711 . . . . 0.0 111.493 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -81.67 -17.46 47.94 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.644 175.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -109.79 98.42 7.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.395 -178.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1116 ' ' LYS . . . . . 0.43 ' N ' ' HD3' ' A' 1116 ' ' LYS . 0.1 OUTLIER -128.11 157.59 40.33 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 177.149 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 163.94 -172.25 39.74 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.201 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1118 ' ' VAL . . . . . 0.795 HG21 HG12 ' A' 1106 ' ' ILE . 11.2 t -99.78 117.56 45.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.038 0.447 . . . . 0.0 110.342 179.017 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1119 ' ' PHE . . . . . 0.487 ' CE1' HG22 ' A' 1094 ' ' ILE . 14.7 p90 -110.82 142.95 27.25 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.348 -176.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1120 ' ' PRO . . . . . 0.797 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 59.8 Cg_endo -74.73 128.68 11.9 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.68 2.253 . . . . 0.0 111.831 176.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1121 ' ' VAL . . . . . 0.572 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 46.8 t -68.71 -16.45 20.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.229 -179.135 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.57 -21.38 66.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.864 179.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1123 ' ' PHE . . . . . 0.671 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.5 OUTLIER -112.94 0.89 15.24 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 121.428 0.632 . . . . 0.0 110.646 -175.6 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.601 HG12 ' HA ' ' A' 1074 ' ' THR . 16.2 m -129.18 176.11 8.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.239 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 68.0 t60 -142.72 132.02 23.44 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1126 ' ' ILE . . . . . 0.591 ' HA ' HG11 ' A' 1072 ' ' VAL . 2.8 mp -73.87 132.64 33.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.205 -178.213 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1127 ' ' LEU . . . . . 0.479 HD11 ' HB2' ' A' 1073 ' ' LYS . 77.0 mt -117.61 93.09 4.03 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.664 0.745 . . . . 0.0 110.839 -178.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 16.8 t -92.77 44.84 1.16 Allowed 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.085 -0.961 . . . . 0.0 108.714 176.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 6.2 m-20 . . . . . 0 C--O 1.248 1.017 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.362 -179.905 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 28.3 m . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 8.6 mt -65.86 127.39 26.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 121.056 0.455 . . . . 0.0 110.356 175.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1580 ' ' ILE . . . . . 0.406 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.6 mp -78.05 121.65 31.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.544 175.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 51.1 m 53.64 -152.75 0.29 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 171.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -94.59 160.64 14.54 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 171.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1583 ' ' MET . . . . . 0.573 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 2.4 ttm -59.46 137.17 89.18 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -174.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1584 ' ' PRO . . . . . 0.8 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 97.4 Cg_endo -84.78 -175.95 2.28 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 123.436 2.758 . . . . 0.0 110.446 174.141 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 12.5 m -110.85 125.92 54.12 Favored 'General case' 0 C--N 1.313 -0.996 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.542 -177.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1586 ' ' LYS . . . . . 0.53 ' HZ3' ' CG ' ' A' 1081 ' ' ASP . 8.2 ttmt -60.16 100.83 0.1 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.954 -1.021 . . . . 0.0 108.871 174.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 13.2 p -66.32 -14.71 62.46 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.251 -0.886 . . . . 0.0 113.114 -170.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1588 ' ' SER . . . . . . . . . . . . . 23.3 t 67.61 138.39 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.668 0.605 . . . . 0.0 109.55 -172.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1589 ' ' ARG . . . . . 0.734 HH11 ' HG2' ' A' 1085 ' ' GLU . 1.1 mtm-85 -70.36 134.86 48.29 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.191 -0.604 . . . . 0.0 109.727 -175.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1590 ' ' LYS . . . . . 0.483 ' N ' ' HD2' ' B' 1590 ' ' LYS . 3.7 mptp? -81.84 -3.9 55.15 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.951 -175.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -90.8 -5.45 55.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.423 174.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1592 ' ' LYS . . . . . 0.496 ' CD ' ' HG3' ' B' 1589 ' ' ARG . 12.1 ptmm? -119.56 146.98 45.02 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.732 176.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1593 ' ' LYS . . . . . 0.442 ' C ' ' H ' ' B' 1595 ' ' ALA . 53.8 mttp -89.97 150.71 44.12 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.586 -179.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1594 ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.11 31.11 0.3 Allowed 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.17 2.58 . . . . 0.0 112.953 -178.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1595 ' ' ALA . . . . . 0.442 ' H ' ' C ' ' B' 1593 ' ' LYS . . . -99.66 -24.4 14.74 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.312 0.577 . . . . 0.0 109.822 176.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 . . . . . 0 C--O 1.246 0.88 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.502 178.713 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 62.0 t . . . . . 0 N--CA 1.478 0.954 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 1070 ' ' ARG . . . . . 0.57 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 39.9 ttm180 -96.33 143.08 27.72 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1071 ' ' ARG . . . . . 0.488 ' HG3' HD12 ' A' 1095 ' ' ILE . 39.9 ttt180 -135.42 134.57 39.81 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.095 -172.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1072 ' ' VAL . . . . . 0.546 HG12 ' HA ' ' A' 1126 ' ' ILE . 28.0 m -125.21 152.47 31.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 120.949 0.404 . . . . 0.0 111.04 178.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1073 ' ' LYS . . . . . 0.44 ' HD2' ' N ' ' A' 1074 ' ' THR . 0.3 OUTLIER -119.53 134.01 55.41 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 177.231 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1074 ' ' THR . . . . . 0.558 ' HA ' HG12 ' A' 1124 ' ' VAL . 51.9 p -77.49 129.09 35.27 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-O 121.082 0.468 . . . . 0.0 110.937 -175.072 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1075 ' ' ILE . . . . . 0.562 HG13 ' CD2' ' A' 1076 ' ' TYR . 25.2 pt -101.18 -7.26 9.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-O 121.413 0.625 . . . . 0.0 110.078 179.218 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1076 ' ' TYR . . . . . 0.801 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 65.6 m-85 -137.42 176.89 8.3 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.589 -1.187 . . . . 0.0 111.095 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 2.9 t70 -107.41 132.95 52.62 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.348 -1.296 . . . . 0.0 108.573 173.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1078 ' ' CYS . . . . . 0.658 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 47.1 t -145.98 146.4 30.99 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.421 -174.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1079 ' ' GLN . . . . . 0.552 ' HA ' HG21 ' A' 1087 ' ' THR . 51.5 tt0 -127.74 144.35 51.09 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.821 -179.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1080 ' ' ALA . . . . . . . . . . . . . . . -57.81 128.8 38.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.03 -0.986 . . . . 0.0 112.549 -175.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 17.2 t70 -77.93 -34.07 51.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.11 178.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1082 ' ' ASN . . . . . 0.432 ' H ' ' CG ' ' A' 1085 ' ' GLU . 8.4 t-20 -133.99 -169.77 2.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.997 -1.001 . . . . 0.0 108.755 -177.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 34.6 t70 -69.33 -40.04 77.84 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -173.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 29.5 t70 -107.05 32.95 4.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.598 0.713 . . . . 0.0 111.651 -174.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1085 ' ' GLU . . . . . 0.509 ' CD ' HH21 ' B' 1589 ' ' ARG . 16.4 mm-40 -96.08 -171.4 2.31 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 170.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 14.1 tp -123.67 133.23 53.93 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 120.044 -0.662 . . . . 0.0 112.106 -178.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1087 ' ' THR . . . . . 0.552 HG21 ' HA ' ' A' 1079 ' ' GLN . 36.4 m -102.91 121.35 42.34 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 170.136 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1088 ' ' PHE . . . . . 0.521 ' HB2' HG22 ' A' 1074 ' ' THR . 12.5 p90 -143.57 138.19 28.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.034 0.445 . . . . 0.0 110.554 -176.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1089 ' ' ILE . . . . . 0.573 HD12 ' HB2' ' A' 1092 ' ' GLU . 1.8 pp -100.42 154.71 4.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.122 -177.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1090 ' ' GLU . . . . . 0.53 ' HG3' HG12 ' B' 1579 ' ' ILE . 3.7 tm-20 -56.9 126.58 27.71 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 -178.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 105.54 -2.95 39.51 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.912 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1092 ' ' GLU . . . . . 0.573 ' HB2' HD12 ' A' 1089 ' ' ILE . 6.3 tp10 -80.95 160.59 24.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.213 0.53 . . . . 0.0 110.51 -178.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1093 ' ' VAL . . . . . 0.474 ' O ' HG23 ' A' 1109 ' ' ILE . 59.1 t -126.87 123.88 63.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.16 -178.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1094 ' ' ILE . . . . . 0.799 HG12 HG12 ' A' 1109 ' ' ILE . 22.7 mt -118.52 137.42 52.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -176.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1095 ' ' ILE . . . . . 0.553 HG12 ' HB2' ' A' 1110 ' ' GLU . 38.7 mm -92.19 121.9 43.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 174.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1096 ' ' VAL . . . . . 0.57 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 38.9 t -83.45 117.17 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.817 0.341 . . . . 0.0 110.512 -176.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1097 ' ' THR . . . . . 0.603 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 17.9 p -104.21 -17.94 14.68 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.305 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -163.37 -172.88 31.4 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.325 -0.94 . . . . 0.0 113.109 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1099 ' ' GLU . . . . . 0.575 ' HG3' ' CD1' ' A' 1105 ' ' TRP . 21.6 tt0 -153.6 138.47 17.13 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -177.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -119.56 -40.11 2.81 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 177.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1101 ' ' ASP . . . . . 0.68 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 33.1 t70 -130.81 168.36 17.36 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.803 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -58.73 -38.42 78.32 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-O 121.44 0.638 . . . . 0.0 109.999 176.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1103 ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' 1120 ' ' PRO . 53.7 tt0 -109.77 9.44 24.79 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.845 -171.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1104 ' ' TRP . . . . . 0.68 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 79.0 m95 -140.67 107.22 5.31 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.486 -178.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1105 ' ' TRP . . . . . 0.575 ' CD1' ' HG3' ' A' 1099 ' ' GLU . 44.0 m0 -111.0 161.86 15.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.505 -178.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1106 ' ' ILE . . . . . 0.473 HG12 HG22 ' A' 1118 ' ' VAL . 45.7 mt -116.22 139.26 43.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.96 -174.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1107 ' ' GLY . . . . . 0.603 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -179.64 -165.87 34.39 Favored Glycine 0 N--CA 1.44 -1.056 0 C-N-CA 119.98 -1.105 . . . . 0.0 112.733 175.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1108 ' ' HIS . . . . . 0.598 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 14.6 p-80 -138.18 141.25 40.05 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1109 ' ' ILE . . . . . 0.799 HG12 HG12 ' A' 1094 ' ' ILE . 12.2 mt -66.93 132.65 32.17 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.122 -172.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1110 ' ' GLU . . . . . 0.553 ' HB2' HG12 ' A' 1095 ' ' ILE . 2.0 tm-20 -72.33 110.94 7.11 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.703 -1.135 . . . . 0.0 109.305 -174.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 112.16 -10.71 26.83 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.986 -0.626 . . . . 0.0 111.599 -177.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 49.2 tp60 -151.92 84.83 4.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -63.04 -20.85 72.43 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 123.368 2.712 . . . . 0.0 113.379 -173.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.06 -13.48 61.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.885 0.374 . . . . 0.0 111.401 178.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1115 ' ' ARG . . . . . 0.449 ' HB2' ' HB ' ' A' 1109 ' ' ILE . 86.0 mtt180 -96.53 88.63 4.74 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 176.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1116 ' ' LYS . . . . . 0.723 ' HB2' ' HZ1' ' A' 1116 ' ' LYS . 0.0 OUTLIER -131.47 150.47 52.14 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.224 177.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 166.35 -164.3 37.51 Favored Glycine 0 N--CA 1.44 -1.076 0 N-CA-C 110.681 -0.968 . . . . 0.0 110.681 -178.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1118 ' ' VAL . . . . . 0.473 HG22 HG12 ' A' 1106 ' ' ILE . 7.0 t -103.71 120.34 53.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 176.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1119 ' ' PHE . . . . . . . . . . . . . 11.6 p90 -110.21 135.18 20.59 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.743 -177.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1120 ' ' PRO . . . . . 0.411 ' HA ' ' O ' ' A' 1103 ' ' GLU . 31.1 Cg_endo -69.06 126.38 13.7 Favored 'Trans proline' 0 N--CA 1.459 -0.5 0 C-N-CA 122.62 2.213 . . . . 0.0 111.8 175.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1121 ' ' VAL . . . . . 0.572 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 59.2 t -64.45 -16.64 19.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.45 0.643 . . . . 0.0 109.698 177.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1122 ' ' SER . . . . . 0.614 ' HB2' ' HD1' ' A' 1123 ' ' PHE . 0.9 OUTLIER -58.65 -30.67 67.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.787 178.06 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1123 ' ' PHE . . . . . 0.658 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.4 OUTLIER -109.16 6.83 25.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.981 -173.595 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.572 ' CG2' ' HA ' ' A' 1121 ' ' VAL . 17.4 m -134.78 177.11 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 121.165 0.507 . . . . 0.0 112.076 -177.031 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -139.56 147.7 41.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.26 177.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1126 ' ' ILE . . . . . 0.546 ' HA ' HG12 ' A' 1072 ' ' VAL . 2.3 mp -86.76 124.62 40.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.112 0.482 . . . . 0.0 110.828 -177.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 10.6 mp -113.43 -57.29 2.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.761 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 15.2 m 53.92 44.18 29.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.803 0.811 . . . . 0.0 109.265 -172.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 26.4 t70 . . . . . 0 C--O 1.246 0.875 0 CA-C-N 114.641 -1.163 . . . . 0.0 109.488 -177.647 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 33.6 m . . . . . 0 N--CA 1.478 0.939 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B 1579 ' ' ILE . . . . . 0.53 HG12 ' HG3' ' A' 1090 ' ' GLU . 19.1 mt -61.71 131.1 26.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.103 0.477 . . . . 0.0 110.603 177.583 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1580 ' ' ILE . . . . . 0.488 HD11 ' HB ' ' A' 1075 ' ' ILE . 1.7 mp -87.51 120.46 36.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 173.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 24.7 m 54.16 -156.48 0.21 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 169.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -91.86 159.29 15.86 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.312 169.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1583 ' ' MET . . . . . 0.657 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 2.1 ttm -54.25 138.06 58.07 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -173.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1584 ' ' PRO . . . . . 0.801 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 68.2 Cg_endo -87.59 -175.53 1.51 Allowed 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 123.49 2.793 . . . . 0.0 110.049 177.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 85.2 m -110.59 136.88 49.02 Favored 'General case' 0 C--N 1.305 -1.339 0 C-N-CA 120.509 -0.477 . . . . 0.0 109.873 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1586 ' ' LYS . . . . . 0.476 ' C ' ' H ' ' B' 1588 ' ' SER . 16.3 ttmt -65.11 95.87 0.19 Allowed 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 169.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 5.1 m -74.54 25.98 0.08 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.283 -168.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1588 ' ' SER . . . . . 0.476 ' H ' ' C ' ' B' 1586 ' ' LYS . 27.4 m 62.16 141.16 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.855 0.836 . . . . 0.0 111.716 -178.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1589 ' ' ARG . . . . . 0.586 ' HB3' ' HG2' ' B' 1592 ' ' LYS . 7.2 ttp85 -85.01 103.4 14.01 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 173.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1590 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.34 25.66 0.06 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.154 0.502 . . . . 0.0 112.26 -172.723 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1591 ' ' ALA . . . . . 0.481 ' H ' ' C ' ' B' 1589 ' ' ARG . . . -127.65 4.75 6.12 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 172.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1592 ' ' LYS . . . . . 0.586 ' HG2' ' HB3' ' B' 1589 ' ' ARG . 14.3 ptmt -150.62 131.63 14.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.401 176.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1593 ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' B' 1594 ' ' PRO . 92.4 mttt -92.64 128.58 43.62 Favored Pre-proline 0 C--N 1.314 -0.948 0 CA-C-O 121.103 0.478 . . . . 0.0 111.755 -177.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1594 ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' B' 1593 ' ' LYS . 73.6 Cg_endo -95.12 44.08 0.17 Allowed 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 123.684 2.922 . . . . 0.0 111.183 172.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . 68.86 -66.76 0.23 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.076 -174.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.072 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 35.8 m . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 120.627 0.251 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 1070 ' ' ARG . . . . . 0.684 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 8.5 ttm180 -103.54 114.63 29.05 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 176.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 44.1 ttt180 -105.93 127.21 52.99 Favored 'General case' 0 C--N 1.313 -1.01 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.122 -169.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1072 ' ' VAL . . . . . 0.547 HG13 ' HA ' ' A' 1126 ' ' ILE . 25.2 m -125.41 155.9 34.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.689 0.281 . . . . 0.0 110.44 177.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1073 ' ' LYS . . . . . 0.46 ' HD2' ' N ' ' A' 1074 ' ' THR . 0.4 OUTLIER -123.54 133.34 54.01 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.027 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1074 ' ' THR . . . . . 0.573 ' HA ' HG11 ' A' 1124 ' ' VAL . 59.8 p -72.5 118.48 15.46 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.049 0.452 . . . . 0.0 110.569 -177.125 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1075 ' ' ILE . . . . . 0.649 HG13 ' CD2' ' A' 1076 ' ' TYR . 21.2 pt -98.71 -5.93 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.645 0.736 . . . . 0.0 109.835 -178.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1076 ' ' TYR . . . . . 0.785 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 98.7 m-85 -138.98 177.97 7.5 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.196 -1.365 . . . . 0.0 109.605 176.316 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -113.51 130.56 56.32 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.173 172.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1078 ' ' CYS . . . . . 0.778 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 42.0 t -136.49 142.0 43.52 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.89 -177.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1079 ' ' GLN . . . . . 0.566 ' HA ' HG23 ' A' 1087 ' ' THR . 54.6 mt-30 -109.59 173.23 6.42 Favored 'General case' 0 C--N 1.311 -1.097 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.558 178.283 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1080 ' ' ALA . . . . . 0.543 ' HB3' ' HG2' ' A' 1085 ' ' GLU . . . -44.16 134.75 4.69 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.254 -1.339 . . . . 0.0 113.722 -179.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1081 ' ' ASP . . . . . 0.595 ' OD2' ' HD2' ' B' 1592 ' ' LYS . 12.0 t0 -99.35 -34.02 10.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.852 173.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -138.38 -169.21 2.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.55 -178.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -71.6 -20.53 61.98 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.639 0.733 . . . . 0.0 109.667 170.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 9.5 t70 -116.55 93.68 4.31 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.979 -1.009 . . . . 0.0 109.759 -178.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1085 ' ' GLU . . . . . 0.543 ' HG2' ' HB3' ' A' 1080 ' ' ALA . 0.0 OUTLIER -153.19 -166.81 2.53 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.247 0.546 . . . . 0.0 111.861 -179.173 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1086 ' ' LEU . . . . . 0.513 HD13 ' HA ' ' A' 1116 ' ' LYS . 6.8 tt -141.87 106.14 4.8 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.166 -0.925 . . . . 0.0 109.207 170.605 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1087 ' ' THR . . . . . 0.566 HG23 ' HA ' ' A' 1079 ' ' GLN . 54.4 m -77.49 135.17 38.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.332 177.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1088 ' ' PHE . . . . . 0.592 ' HZ ' ' HB2' ' A' 1123 ' ' PHE . 11.1 p90 -147.76 160.77 42.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.237 0.542 . . . . 0.0 111.734 -175.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1089 ' ' ILE . . . . . 0.442 HD13 ' HG2' ' A' 1092 ' ' GLU . 1.8 pp -126.22 158.92 35.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.129 177.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -57.14 124.82 20.12 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.598 0.561 . . . . 0.0 110.17 -178.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 114.17 -6.45 23.38 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.42 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1092 ' ' GLU . . . . . 0.442 ' HG2' HD13 ' A' 1089 ' ' ILE . 19.1 mm-40 -83.98 159.4 21.24 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.052 0.453 . . . . 0.0 111.549 176.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 58.1 t -125.68 127.06 71.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 179.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1094 ' ' ILE . . . . . 0.554 HG12 HD11 ' A' 1109 ' ' ILE . 24.8 mt -115.33 129.76 71.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-O 121.279 0.562 . . . . 0.0 110.951 -174.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 51.3 mm -89.58 101.99 12.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 173.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1096 ' ' VAL . . . . . 0.74 HG22 ' HZ ' ' A' 1119 ' ' PHE . 61.6 t -70.89 121.62 21.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.511 -178.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 7.8 p -104.33 -19.17 14.17 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.095 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -163.34 -176.71 35.61 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.872 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -139.87 148.39 42.0 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1100 ' ' GLU . . . . . 0.476 ' CD ' HH21 ' B' 1589 ' ' ARG . 31.2 tt0 -123.99 -38.46 2.47 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.365 -0.534 . . . . 0.0 109.697 176.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1101 ' ' ASP . . . . . . . . . . . . . 31.3 t70 -139.05 175.15 9.8 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 174.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -58.27 -48.29 80.93 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.27 0.557 . . . . 0.0 110.082 176.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1103 ' ' GLU . . . . . 0.542 ' O ' ' HA ' ' A' 1120 ' ' PRO . 30.4 tt0 -98.33 6.68 47.11 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.389 -171.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1104 ' ' TRP . . . . . 0.656 ' CD1' ' HA ' ' B' 1589 ' ' ARG . 87.4 m95 -139.79 105.19 5.06 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.45 0.643 . . . . 0.0 111.022 -178.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 44.8 m0 -107.03 167.95 9.54 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.502 -178.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 48.4 mt -119.03 135.15 60.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.194 -175.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -177.13 -161.36 25.61 Favored Glycine 0 N--CA 1.441 -1.009 0 C-N-CA 120.313 -0.946 . . . . 0.0 112.4 178.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1108 ' ' HIS . . . . . 0.456 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 8.5 p-80 -147.81 149.87 33.14 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.639 0.257 . . . . 0.0 110.572 -178.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1109 ' ' ILE . . . . . 0.554 HD11 HG12 ' A' 1094 ' ' ILE . 32.2 mm -60.62 136.19 24.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.461 178.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -62.02 -47.18 85.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.072 -177.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -90.64 8.86 79.16 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.581 -0.818 . . . . 0.0 112.752 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1112 ' ' GLN . . . . . 0.463 ' O ' ' HB ' ' A' 1109 ' ' ILE . 48.6 tp60 -161.63 78.94 2.12 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -178.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -66.69 -16.71 51.27 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 123.17 2.58 . . . . 0.0 112.884 -174.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -72.06 -26.69 62.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.088 0.47 . . . . 0.0 109.751 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 74.7 mtt-85 -82.36 93.84 7.26 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 170.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1116 ' ' LYS . . . . . 0.513 ' HA ' HD13 ' A' 1086 ' ' LEU . 23.4 pttm -138.16 147.66 44.11 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.113 -176.11 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1117 ' ' GLY . . . . . 0.439 ' HA3' ' O ' ' A' 1085 ' ' GLU . . . 162.55 -147.38 13.31 Favored Glycine 0 N--CA 1.443 -0.894 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.067 -177.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1118 ' ' VAL . . . . . 0.466 HG21 ' CZ ' ' B' 1589 ' ' ARG . 2.1 t -112.52 129.14 68.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 110.541 -0.17 . . . . 0.0 110.541 -175.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1119 ' ' PHE . . . . . 0.74 ' HZ ' HG22 ' A' 1096 ' ' VAL . 23.6 p90 -128.14 146.5 59.64 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.614 -175.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1120 ' ' PRO . . . . . 0.544 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 73.7 Cg_endo -78.7 126.26 7.25 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.228 2.619 . . . . 0.0 112.565 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1121 ' ' VAL . . . . . 0.569 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 83.9 t -65.94 -19.56 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.8 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1122 ' ' SER . . . . . 0.404 ' HG ' ' CD ' ' A' 1103 ' ' GLU . 45.4 m -61.57 -25.78 67.54 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 177.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1123 ' ' PHE . . . . . 0.778 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.6 OUTLIER -107.88 0.77 22.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.403 0.62 . . . . 0.0 110.753 -174.455 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.573 HG11 ' HA ' ' A' 1074 ' ' THR . 14.9 m -127.61 169.89 18.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.248 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 33.2 t60 -134.45 141.02 46.65 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1126 ' ' ILE . . . . . 0.547 ' HA ' HG13 ' A' 1072 ' ' VAL . 2.0 mp -82.29 124.74 39.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.105 0.478 . . . . 0.0 110.831 -176.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 9.1 mp -105.85 -53.34 2.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.814 176.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 49.1 m 53.68 47.67 23.26 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.78 0.8 . . . . 0.0 109.422 -173.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 30.9 t70 . . . . . 0 C--O 1.251 1.136 0 CA-C-N 114.729 -1.123 . . . . 0.0 109.759 -176.322 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 73.8 m . . . . . 0 N--CA 1.476 0.851 0 CA-C-O 120.684 0.278 . . . . 0.0 110.729 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 35.9 mt -71.77 120.5 20.13 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-O 121.189 0.519 . . . . 0.0 110.008 176.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1580 ' ' ILE . . . . . 0.459 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.6 mp -65.91 113.67 2.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.372 176.378 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 49.9 m 58.16 -151.87 0.41 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.789 0.328 . . . . 0.0 111.086 176.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -92.63 153.67 18.85 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 170.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1583 ' ' MET . . . . . 0.544 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 4.6 ttm -59.69 134.46 89.31 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -176.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1584 ' ' PRO . . . . . 0.785 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 95.2 Cg_endo -84.08 -175.53 2.25 Favored 'Trans proline' 0 N--CA 1.445 -1.35 0 C-N-CA 123.226 2.618 . . . . 0.0 109.598 176.052 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 14.8 t -113.6 139.71 48.79 Favored 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 119.432 -0.907 . . . . 0.0 109.39 -178.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1586 ' ' LYS . . . . . 0.456 ' C ' ' H ' ' B' 1588 ' ' SER . 3.8 tmmt? -67.28 99.53 0.72 Allowed 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 174.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 5.4 m -71.39 14.89 0.15 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.723 -167.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1588 ' ' SER . . . . . 0.456 ' H ' ' C ' ' B' 1586 ' ' LYS . 51.1 m 67.72 127.76 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.744 0.783 . . . . 0.0 110.751 -176.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1589 ' ' ARG . . . . . 0.656 ' HA ' ' CD1' ' A' 1104 ' ' TRP . 37.5 ttt180 -60.68 122.06 13.8 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.649 177.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1590 ' ' LYS . . . . . 0.5 ' N ' ' HD2' ' B' 1590 ' ' LYS . 0.4 OUTLIER -71.51 -5.83 36.01 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.177 0.513 . . . . 0.0 111.205 -173.368 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -94.01 4.72 53.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.384 174.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1592 ' ' LYS . . . . . 0.595 ' HD2' ' OD2' ' A' 1081 ' ' ASP . 22.8 mtpp -75.4 126.42 30.97 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 172.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1593 ' ' LYS . . . . . 0.457 ' HA ' ' HD3' ' B' 1594 ' ' PRO . 66.7 mttm -75.48 138.64 70.96 Favored Pre-proline 0 C--N 1.316 -0.867 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.099 -178.155 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1594 ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' B' 1593 ' ' LYS . 15.6 Cg_exo -68.55 74.1 0.85 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.138 2.558 . . . . 0.0 112.044 179.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . -128.74 174.4 9.48 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.314 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.444 -0.789 . . . . 0.0 110.246 178.566 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.483 1.189 0 CA-C-O 121.633 0.73 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 1070 ' ' ARG . . . . . 0.436 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 42.3 ttm180 -139.49 117.22 11.55 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.895 -176.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1071 ' ' ARG . . . . . 0.486 ' HG3' HD11 ' A' 1095 ' ' ILE . 3.1 ttm180 -84.98 135.56 33.98 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.526 -0.469 . . . . 0.0 110.747 -178.264 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1072 ' ' VAL . . . . . 0.551 HG11 ' HA ' ' A' 1126 ' ' ILE . 33.8 m -129.98 153.82 39.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.108 176.164 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1073 ' ' LYS . . . . . 0.505 ' HG2' HG22 ' A' 1093 ' ' VAL . 0.1 OUTLIER -120.67 135.95 54.98 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 -179.283 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1074 ' ' THR . . . . . 0.557 ' HA ' HG11 ' A' 1124 ' ' VAL . 72.5 p -78.38 126.56 30.95 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.321 0.581 . . . . 0.0 111.113 -175.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1075 ' ' ILE . . . . . 0.549 HD12 ' HB ' ' B' 1580 ' ' ILE . 15.8 pt -103.36 -3.7 9.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.997 179.156 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1076 ' ' TYR . . . . . 0.671 ' HB2' ' HB3' ' A' 1123 ' ' PHE . 31.2 m-85 -144.92 172.52 12.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.84 -179.381 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1077 ' ' ASP . . . . . 0.505 ' HA ' ' HA ' ' A' 1089 ' ' ILE . 10.1 p-10 -110.05 111.24 22.49 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 114.806 -1.088 . . . . 0.0 108.805 175.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1078 ' ' CYS . . . . . 0.699 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 51.5 t -119.89 143.29 48.03 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.512 -177.404 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1079 ' ' GLN . . . . . 0.542 ' HA ' HG23 ' A' 1087 ' ' THR . 49.3 mt-30 -121.47 142.11 50.36 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-O 121.329 0.585 . . . . 0.0 111.283 -178.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1080 ' ' ALA . . . . . 0.58 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -87.54 149.24 24.48 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.849 -173.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1081 ' ' ASP . . . . . 0.608 ' HB2' ' HZ3' ' B' 1592 ' ' LYS . 7.3 m-20 -95.58 -36.07 11.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.553 179.306 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 11.0 m120 -108.34 153.01 23.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.163 177.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 34.5 t70 -63.31 -25.39 68.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.296 -0.866 . . . . 0.0 112.297 -174.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -87.82 -2.53 58.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.861 0.363 . . . . 0.0 111.689 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1085 ' ' GLU . . . . . 0.58 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 59.1 mt-10 -97.85 159.14 15.12 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1086 ' ' LEU . . . . . 0.654 ' HB3' ' HB3' ' A' 1119 ' ' PHE . 9.3 tp -96.96 129.75 44.37 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.102 0.477 . . . . 0.0 112.205 -171.165 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1087 ' ' THR . . . . . 0.542 HG23 ' HA ' ' A' 1079 ' ' GLN . 96.2 m -100.98 128.11 47.16 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 169.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1088 ' ' PHE . . . . . 0.73 ' HE2' ' HD2' ' A' 1120 ' ' PRO . 34.4 p90 -146.45 158.57 43.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.895 0.379 . . . . 0.0 111.082 -175.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1089 ' ' ILE . . . . . 0.518 HD13 ' HB2' ' A' 1092 ' ' GLU . 1.8 pp -125.43 155.84 34.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.713 -179.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1090 ' ' GLU . . . . . 0.401 ' HG2' ' C ' ' A' 1075 ' ' ILE . 6.6 tm-20 -55.78 128.45 34.96 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 123.515 0.509 . . . . 0.0 110.585 -178.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 105.13 -5.65 42.2 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.571 -0.823 . . . . 0.0 111.661 -178.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1092 ' ' GLU . . . . . 0.518 ' HB2' HD13 ' A' 1089 ' ' ILE . 4.0 tp10 -84.96 160.56 20.05 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.641 -0.504 . . . . 0.0 109.641 177.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1093 ' ' VAL . . . . . 0.505 HG22 ' HG2' ' A' 1073 ' ' LYS . 59.8 t -129.43 131.4 67.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -178.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1094 ' ' ILE . . . . . 0.449 HG23 ' CE1' ' A' 1119 ' ' PHE . 14.9 mt -120.51 135.78 59.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.997 0.427 . . . . 0.0 110.961 -175.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1095 ' ' ILE . . . . . 0.512 HG12 ' HG2' ' A' 1110 ' ' GLU . 32.4 mm -93.03 109.61 21.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.307 172.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1096 ' ' VAL . . . . . 0.72 HG23 ' HZ ' ' A' 1119 ' ' PHE . 93.7 t -73.88 113.09 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.063 0.459 . . . . 0.0 110.334 178.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 21.3 p -100.5 -12.13 19.56 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.774 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -172.45 178.51 44.53 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.236 179.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -133.46 144.81 49.71 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1100 ' ' GLU . . . . . 0.541 ' OE1' ' HD2' ' B' 1589 ' ' ARG . 42.0 tt0 -121.51 -47.75 2.21 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.482 0.658 . . . . 0.0 109.356 178.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1101 ' ' ASP . . . . . 0.797 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 26.5 t70 -116.12 179.41 4.0 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 174.221 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -73.4 -35.47 65.87 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 175.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -113.53 12.5 18.6 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.446 -175.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1104 ' ' TRP . . . . . 0.797 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 70.7 m95 -137.84 107.45 6.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.37 176.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 45.3 m0 -111.08 169.27 8.88 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.712 -175.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1106 ' ' ILE . . . . . 0.435 HG12 HG23 ' A' 1118 ' ' VAL . 33.3 mt -118.01 136.08 56.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.108 -174.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -179.0 -161.36 26.49 Favored Glycine 0 N--CA 1.441 -1.031 0 C-N-CA 119.817 -1.182 . . . . 0.0 112.799 177.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1108 ' ' HIS . . . . . 0.529 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 17.8 p-80 -148.19 151.27 35.24 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.564 -0.318 . . . . 0.0 110.167 -177.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1109 ' ' ILE . . . . . 0.448 HD11 ' HG3' ' A' 1092 ' ' GLU . 39.5 mm -62.92 134.3 28.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.089 -177.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1110 ' ' GLU . . . . . 0.512 ' HG2' HG12 ' A' 1095 ' ' ILE . 0.0 OUTLIER -66.03 103.15 0.9 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.371 -178.682 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 106.37 -5.88 38.66 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.338 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -140.38 79.4 20.97 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-O 121.036 0.446 . . . . 0.0 109.904 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -70.31 3.52 2.99 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.55 2.833 . . . . 0.0 113.28 -175.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -83.81 -27.17 28.98 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.265 0.555 . . . . 0.0 109.749 174.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -94.08 89.62 6.09 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.405 178.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1116 ' ' LYS . . . . . 0.529 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 0.0 OUTLIER -131.32 157.66 42.74 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.984 176.835 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 154.38 -162.67 30.76 Favored Glycine 0 N--CA 1.444 -0.812 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.88 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1118 ' ' VAL . . . . . 0.435 HG23 HG12 ' A' 1106 ' ' ILE . 8.3 t -101.18 122.72 53.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.908 0.385 . . . . 0.0 110.548 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1119 ' ' PHE . . . . . 0.72 ' HZ ' HG23 ' A' 1096 ' ' VAL . 23.9 p90 -117.84 145.65 37.12 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.988 -176.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1120 ' ' PRO . . . . . 0.73 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 62.3 Cg_endo -76.6 124.65 7.74 Favored 'Trans proline' 0 C--O 1.237 0.467 0 C-N-CA 122.965 2.443 . . . . 0.0 112.968 178.381 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1121 ' ' VAL . . . . . 0.59 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 57.3 t -64.56 -16.16 18.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.429 178.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1122 ' ' SER . . . . . 0.623 ' HB2' ' CD1' ' A' 1123 ' ' PHE . 0.7 OUTLIER -59.71 -34.15 72.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.106 -179.409 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1123 ' ' PHE . . . . . 0.699 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.1 OUTLIER -107.27 5.84 27.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.046 0.451 . . . . 0.0 110.219 -173.316 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.59 ' CG2' ' HA ' ' A' 1121 ' ' VAL . 16.3 m -127.48 167.47 22.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.906 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 3.1 t60 -131.71 138.18 48.56 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 -178.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1126 ' ' ILE . . . . . 0.551 ' HA ' HG11 ' A' 1072 ' ' VAL . 1.9 mp -83.77 128.5 38.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.044 0.45 . . . . 0.0 111.907 -173.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 9.4 mp -109.03 -47.19 3.47 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 173.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 1128 ' ' SER . . . . . 0.411 ' CB ' ' HG3' ' A' 1070 ' ' ARG . 5.4 t 58.43 57.17 3.98 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.311 176.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 38.9 t70 . . . . . 0 C--O 1.248 1.015 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.598 174.94 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 72.6 m . . . . . 0 N--CA 1.477 0.898 0 CA-C-O 120.831 0.348 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 34.4 mt -90.58 122.81 42.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.49 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1580 ' ' ILE . . . . . 0.549 ' HB ' HD12 ' A' 1075 ' ' ILE . 1.6 mp -94.49 102.41 13.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.029 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1581 ' ' SER . . . . . 0.464 ' HB2' ' O ' ' B' 1580 ' ' ILE . 44.5 m 75.23 -139.55 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.542 -176.193 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -119.48 164.38 15.86 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 171.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1583 ' ' MET . . . . . 0.517 ' HA ' ' CE1' ' A' 1076 ' ' TYR . 18.7 ttm -41.17 119.77 1.82 Allowed Pre-proline 0 N--CA 1.467 0.393 0 O-C-N 123.919 0.762 . . . . 0.0 112.312 -171.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1584 ' ' PRO . . . . . 0.456 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 2.9 Cg_exo -73.64 -176.87 2.75 Favored 'Trans proline' 0 N--CA 1.448 -1.159 0 C-N-CA 122.667 2.245 . . . . 0.0 110.606 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 32.0 m -109.77 134.34 52.12 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1586 ' ' LYS . . . . . 0.408 ' HZ3' ' CG ' ' A' 1081 ' ' ASP . 37.8 ttmt -59.94 108.59 0.79 Allowed 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 172.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 3.7 p -66.03 -1.46 3.12 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.43 -0.805 . . . . 0.0 113.055 -169.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1588 ' ' SER . . . . . . . . . . . . . 20.3 m 61.6 99.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.475 0.655 . . . . 0.0 110.194 -176.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1589 ' ' ARG . . . . . 0.541 ' HD2' ' OE1' ' A' 1100 ' ' GLU . 17.3 ttp85 -50.12 124.01 9.41 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.891 -1.049 . . . . 0.0 111.206 -177.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1590 ' ' LYS . . . . . 0.564 ' N ' ' HD2' ' B' 1590 ' ' LYS . 3.4 mptp? -76.77 -2.97 35.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.581 0.705 . . . . 0.0 110.335 -175.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -118.68 35.59 4.73 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.737 171.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1592 ' ' LYS . . . . . 0.608 ' HZ3' ' HB2' ' A' 1081 ' ' ASP . 47.3 tptt -69.09 100.09 1.2 Allowed 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.487 -178.354 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B 1593 ' ' LYS . . . . . . . . . . . . . 61.1 mttp -94.97 113.3 61.02 Favored Pre-proline 0 N--CA 1.441 -0.915 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 172.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1594 ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -60.44 88.28 0.08 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.518 2.145 . . . . 0.0 111.133 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . -46.85 118.4 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.87 -177.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 7.0 pt20 . . . . . 0 C--O 1.246 0.895 0 CA-C-O 118.342 -0.837 . . . . 0.0 110.674 177.809 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 17.7 m . . . . . 0 N--CA 1.482 1.17 0 CA-C-O 120.702 0.287 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -124.35 109.13 12.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.587 0.708 . . . . 0.0 111.038 -177.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1071 ' ' ARG . . . . . 0.425 ' HG3' HD12 ' A' 1095 ' ' ILE . 22.3 ttm180 -129.3 149.23 51.18 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.751 -177.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1072 ' ' VAL . . . . . 0.551 HG13 ' HA ' ' A' 1126 ' ' ILE . 34.3 m -124.88 147.0 29.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.131 0.491 . . . . 0.0 110.339 175.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1073 ' ' LYS . . . . . 0.584 ' HB2' HD13 ' A' 1127 ' ' LEU . 0.2 OUTLIER -111.62 131.14 55.48 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 175.738 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1074 ' ' THR . . . . . 0.546 ' HA ' HG12 ' A' 1124 ' ' VAL . 58.9 p -72.97 114.44 11.12 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.353 0.597 . . . . 0.0 110.25 -177.649 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1075 ' ' ILE . . . . . 0.533 HD12 ' HB ' ' B' 1580 ' ' ILE . 8.4 pt -93.86 -0.8 10.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-O 121.665 0.745 . . . . 0.0 109.567 179.267 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1076 ' ' TYR . . . . . 0.681 ' HB2' ' HB3' ' A' 1123 ' ' PHE . 31.4 m-85 -145.09 177.94 8.41 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.129 -1.396 . . . . 0.0 111.186 178.38 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -118.9 124.83 48.06 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 176.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1078 ' ' CYS . . . . . 0.511 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 42.0 t -131.8 144.79 51.18 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.772 -173.102 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1079 ' ' GLN . . . . . 0.519 ' HA ' HG23 ' A' 1087 ' ' THR . 25.9 tm0? -126.23 138.31 53.61 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.713 0.768 . . . . 0.0 111.418 -176.163 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1080 ' ' ALA . . . . . 0.489 ' HA ' ' HB3' ' A' 1085 ' ' GLU . . . -56.73 139.62 50.08 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 113.653 -1.612 . . . . 0.0 114.436 -173.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -76.49 -55.33 5.64 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.011 169.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -119.66 -170.79 2.01 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.04 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -67.0 -26.28 66.72 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.92 0.39 . . . . 0.0 111.821 -175.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -92.33 4.51 53.22 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -172.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1085 ' ' GLU . . . . . 0.591 ' CD ' ' HZ3' ' B' 1592 ' ' LYS . 4.8 mp0 -91.45 151.96 20.58 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 172.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1086 ' ' LEU . . . . . 0.676 ' HB3' ' HB3' ' A' 1119 ' ' PHE . 11.4 tp -96.96 118.12 32.66 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.181 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1087 ' ' THR . . . . . 0.519 HG23 ' HA ' ' A' 1079 ' ' GLN . 56.5 m -88.31 116.18 26.33 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 172.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1088 ' ' PHE . . . . . 0.62 ' HE2' ' HB2' ' A' 1119 ' ' PHE . 15.8 p90 -130.96 158.73 39.47 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.126 -178.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1089 ' ' ILE . . . . . 0.564 HD13 ' HB2' ' A' 1092 ' ' GLU . 1.6 pp -123.2 150.32 27.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.843 -179.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -56.95 119.18 5.83 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.969 -175.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 116.02 -6.89 19.44 Favored Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 111.374 -0.69 . . . . 0.0 111.374 -177.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1092 ' ' GLU . . . . . 0.564 ' HB2' HD13 ' A' 1089 ' ' ILE . 5.2 tp10 -82.73 161.73 21.98 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.368 0.604 . . . . 0.0 111.029 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 71.3 t -126.79 118.3 50.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.123 -175.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1094 ' ' ILE . . . . . 0.531 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 19.7 mt -113.92 131.42 65.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.69 -176.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1095 ' ' ILE . . . . . 0.425 HD12 ' HG3' ' A' 1071 ' ' ARG . 43.8 mm -92.09 122.13 43.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 174.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 29.3 t -81.89 114.87 23.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.918 0.39 . . . . 0.0 110.829 -174.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1097 ' ' THR . . . . . 0.505 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 19.0 p -103.06 -15.04 16.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.664 -177.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -167.97 -172.36 34.89 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.52 -0.848 . . . . 0.0 112.747 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -144.31 138.33 27.82 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 -179.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1100 ' ' GLU . . . . . 0.708 ' HG2' ' HE ' ' B' 1589 ' ' ARG . 5.9 tp10 -114.39 -39.17 3.89 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.779 0.799 . . . . 0.0 109.141 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1101 ' ' ASP . . . . . 0.682 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 6.8 t70 -138.69 173.6 11.41 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.889 -1.05 . . . . 0.0 108.353 -177.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -65.61 -35.07 79.73 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.878 0.847 . . . . 0.0 109.145 177.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -112.86 12.06 19.37 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 114.22 -1.354 . . . . 0.0 110.44 -174.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1104 ' ' TRP . . . . . 0.682 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 83.5 m95 -139.85 104.16 4.82 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.407 -178.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 44.8 m0 -108.44 165.56 11.43 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.072 0.463 . . . . 0.0 110.311 -177.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1106 ' ' ILE . . . . . 0.647 HG12 HG22 ' A' 1118 ' ' VAL . 63.9 mt -115.41 134.12 59.56 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.005 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.319 -175.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1107 ' ' GLY . . . . . 0.505 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -171.68 -163.18 25.19 Favored Glycine 0 N--CA 1.437 -1.291 0 C-N-CA 119.956 -1.116 . . . . 0.0 112.5 178.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1108 ' ' HIS . . . . . 0.495 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 9.5 p-80 -149.16 150.82 33.29 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -178.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1109 ' ' ILE . . . . . 0.473 HD13 ' HG3' ' A' 1092 ' ' GLU . 28.8 mm -63.31 137.58 24.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.748 178.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -67.66 -33.35 74.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.731 -178.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1111 ' ' GLY . . . . . 0.456 ' H ' HG21 ' A' 1109 ' ' ILE . . . -80.85 -38.11 17.18 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.59 -0.814 . . . . 0.0 111.981 177.094 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -117.67 85.95 22.74 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 178.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -62.9 -26.68 74.46 Favored 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 123.091 2.528 . . . . 0.0 114.017 -172.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.54 -2.54 58.38 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.172 0.51 . . . . 0.0 111.024 -178.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1115 ' ' ARG . . . . . 0.439 HH11 ' HD3' ' A' 1115 ' ' ARG . 57.6 mtt-85 -90.12 92.98 9.19 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 170.057 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1116 ' ' LYS . . . . . 0.495 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 7.4 ptmm? -137.69 160.98 37.72 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.166 -1.379 . . . . 0.0 110.956 -167.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 155.9 -161.88 30.95 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 121.045 -0.598 . . . . 0.0 111.9 -177.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1118 ' ' VAL . . . . . 0.647 HG22 HG12 ' A' 1106 ' ' ILE . 10.6 t -104.48 123.13 58.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.129 0.49 . . . . 0.0 110.464 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1119 ' ' PHE . . . . . 0.676 ' HB3' ' HB3' ' A' 1086 ' ' LEU . 24.1 p90 -117.2 146.94 39.33 Favored Pre-proline 0 C--N 1.318 -0.775 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.289 -177.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1120 ' ' PRO . . . . . 0.419 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 54.5 Cg_endo -77.21 126.63 8.65 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.38 2.053 . . . . 0.0 112.515 177.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1121 ' ' VAL . . . . . 0.524 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 91.2 t -64.01 -18.51 22.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.174 -178.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 16.3 m -64.15 -28.8 70.01 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -178.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1123 ' ' PHE . . . . . 0.681 ' HB3' ' HB2' ' A' 1076 ' ' TYR . 0.1 OUTLIER -104.54 -0.14 28.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.26 0.552 . . . . 0.0 109.851 -174.337 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.546 HG12 ' HA ' ' A' 1074 ' ' THR . 19.3 m -124.92 172.08 12.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.102 178.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1125 ' ' HIS . . . . . 0.407 ' HB2' HD13 ' A' 1075 ' ' ILE . 69.8 t60 -139.26 132.74 30.27 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1126 ' ' ILE . . . . . 0.551 ' HA ' HG13 ' A' 1072 ' ' VAL . 2.9 mp -73.86 131.91 34.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.847 -178.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1127 ' ' LEU . . . . . 0.584 HD13 ' HB2' ' A' 1073 ' ' LYS . 14.7 mt -103.48 67.65 0.92 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.302 -176.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 22.6 t -112.5 23.7 13.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.528 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 30.7 t70 . . . . . 0 C--O 1.246 0.912 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.339 179.124 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 66.9 m . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.826 0.346 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 58.7 mt -82.33 132.95 30.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.502 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1580 ' ' ILE . . . . . 0.533 ' HB ' HD12 ' A' 1075 ' ' ILE . 1.6 mp -98.17 101.24 11.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.951 0.405 . . . . 0.0 109.91 178.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 12.8 t 74.74 -140.99 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.794 -176.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -120.38 157.37 29.43 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 173.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1583 ' ' MET . . . . . 0.674 ' HA ' ' CE1' ' A' 1076 ' ' TYR . 30.1 ttm -41.1 118.58 1.67 Allowed Pre-proline 0 N--CA 1.469 0.479 0 O-C-N 123.857 0.723 . . . . 0.0 112.631 -168.403 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1584 ' ' PRO . . . . . 0.566 ' HD3' ' CZ ' ' A' 1076 ' ' TYR . 69.7 Cg_endo -73.08 -177.09 2.73 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 122.796 2.33 . . . . 0.0 110.228 179.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 1.4 m -110.26 122.29 47.29 Favored 'General case' 0 C--N 1.304 -1.39 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.004 -177.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1586 ' ' LYS . . . . . 0.478 ' HB3' ' HE2' ' B' 1586 ' ' LYS . 3.0 tmmm? -63.9 94.46 0.1 Allowed 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 171.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 16.2 m -72.65 21.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.293 -1.321 . . . . 0.0 112.963 -165.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1588 ' ' SER . . . . . 0.464 ' H ' ' C ' ' B' 1586 ' ' LYS . 27.0 m 65.2 156.31 0.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.797 0.808 . . . . 0.0 111.019 -175.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1589 ' ' ARG . . . . . 0.884 ' HB3' ' HB2' ' B' 1592 ' ' LYS . 18.8 ttt180 -105.42 117.74 34.79 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.76 -176.608 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1590 ' ' LYS . . . . . 0.586 ' H ' ' HE3' ' B' 1590 ' ' LYS . 0.0 OUTLIER -69.87 -35.69 74.87 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.416 0.627 . . . . 0.0 109.564 -176.697 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B 1591 ' ' ALA . . . . . 0.5 ' HB1' ' HG3' ' A' 1100 ' ' GLU . . . -94.56 33.94 1.37 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.354 174.25 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1592 ' ' LYS . . . . . 0.884 ' HB2' ' HB3' ' B' 1589 ' ' ARG . 41.6 tptt -79.5 91.54 5.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.717 177.109 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1593 ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' B' 1594 ' ' PRO . 3.8 mppt? -75.85 116.68 57.6 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.048 177.153 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1594 ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' B' 1593 ' ' LYS . 6.0 Cg_exo -78.49 52.82 4.3 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 123.276 2.651 . . . . 0.0 111.578 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . -70.68 111.28 6.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.348 -177.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 25.3 tt0 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.152 -0.928 . . . . 0.0 109.896 176.525 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 27.4 m . . . . . 0 N--CA 1.484 1.258 0 CA-C-O 120.687 0.279 . . . . 0.0 111.317 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 1070 ' ' ARG . . . . . 0.63 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 14.1 ttm180 -102.42 148.22 25.77 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -117.12 135.5 53.71 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 178.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1072 ' ' VAL . . . . . 0.604 HG11 ' HA ' ' A' 1126 ' ' ILE . 19.4 m -134.05 157.57 41.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.757 0.313 . . . . 0.0 110.446 178.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1073 ' ' LYS . . . . . 0.581 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.5 OUTLIER -126.11 137.28 53.59 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 177.9 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1074 ' ' THR . . . . . 0.539 ' HA ' HG12 ' A' 1124 ' ' VAL . 63.9 p -74.46 119.49 18.73 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.174 0.512 . . . . 0.0 110.875 -176.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1075 ' ' ILE . . . . . 0.511 HD11 ' HB ' ' B' 1580 ' ' ILE . 10.5 pt -97.35 -0.94 10.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.789 0.804 . . . . 0.0 109.511 177.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1076 ' ' TYR . . . . . 0.703 ' HB2' ' HB3' ' A' 1123 ' ' PHE . 33.8 m-85 -146.33 173.96 11.79 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.258 -1.337 . . . . 0.0 110.878 178.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1077 ' ' ASP . . . . . 0.471 ' HB2' HG22 ' A' 1089 ' ' ILE . 7.2 p-10 -111.35 127.96 55.82 Favored 'General case' 0 N--CA 1.441 -0.925 0 CA-C-N 115.274 -0.875 . . . . 0.0 108.976 173.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1078 ' ' CYS . . . . . 0.727 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 43.6 t -135.26 145.94 48.09 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.904 -178.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1079 ' ' GLN . . . . . 0.544 ' HA ' HG22 ' A' 1087 ' ' THR . 60.9 tt0 -120.02 159.65 24.33 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.874 178.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1080 ' ' ALA . . . . . 0.568 ' HA ' ' HG2' ' A' 1085 ' ' GLU . . . -25.28 138.27 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 115.684 1.735 . . . . 0.0 115.684 178.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1081 ' ' ASP . . . . . 0.58 ' OD2' ' HD3' ' B' 1592 ' ' LYS . 32.2 t0 -112.02 -19.12 12.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.479 -1.237 . . . . 0.0 109.558 173.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1082 ' ' ASN . . . . . 0.586 ' HB3' HH21 ' B' 1589 ' ' ARG . 10.1 t-20 -161.02 -168.92 2.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.212 -174.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 19.2 t70 -69.08 -41.0 78.11 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 118.073 0.397 . . . . 0.0 111.61 -175.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -107.11 89.17 2.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.627 0.727 . . . . 0.0 110.556 -178.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1085 ' ' GLU . . . . . 0.568 ' HG2' ' HA ' ' A' 1080 ' ' ALA . 0.0 OUTLIER -133.76 -166.53 1.8 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.393 -179.563 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1086 ' ' LEU . . . . . 0.456 HD12 ' CA ' ' A' 1116 ' ' LYS . 7.2 tt -144.58 106.27 4.28 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.227 171.088 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1087 ' ' THR . . . . . 0.544 HG22 ' HA ' ' A' 1079 ' ' GLN . 69.9 m -79.81 131.71 35.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.144 178.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1088 ' ' PHE . . . . . 0.614 ' HE2' ' HB2' ' A' 1119 ' ' PHE . 10.9 p90 -141.28 162.14 36.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.995 0.426 . . . . 0.0 111.242 -176.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1089 ' ' ILE . . . . . 0.56 HD12 ' HG2' ' A' 1092 ' ' GLU . 1.8 pp -127.16 154.72 37.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.894 176.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -55.38 122.63 11.61 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 123.555 0.534 . . . . 0.0 111.03 -176.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 117.0 -10.54 15.29 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.642 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1092 ' ' GLU . . . . . 0.56 ' HG2' HD12 ' A' 1089 ' ' ILE . 44.0 mm-40 -81.18 157.86 25.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.042 0.449 . . . . 0.0 111.365 177.097 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 87.4 t -122.42 126.54 74.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.497 178.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1094 ' ' ILE . . . . . 0.63 HG12 HD11 ' A' 1109 ' ' ILE . 12.8 mt -116.76 130.67 71.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-O 120.929 0.395 . . . . 0.0 110.829 -175.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 50.0 mm -90.38 105.28 16.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.407 175.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1096 ' ' VAL . . . . . 0.63 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 50.7 t -69.83 113.94 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.208 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 11.5 p -103.93 -19.02 14.37 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.737 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -159.83 -170.3 24.23 Favored Glycine 0 N--CA 1.442 -0.951 0 C-N-CA 120.419 -0.896 . . . . 0.0 112.624 -177.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1099 ' ' GLU . . . . . 0.402 ' HA ' ' HA ' ' A' 1105 ' ' TRP . 25.9 tt0 -152.6 131.83 12.77 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -177.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1100 ' ' GLU . . . . . 0.411 ' HG2' ' CB ' ' B' 1591 ' ' ALA . 18.9 tt0 -106.93 -40.62 5.42 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.106 -0.638 . . . . 0.0 109.51 -175.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1101 ' ' ASP . . . . . 0.404 ' OD2' ' HB2' ' A' 1104 ' ' TRP . 2.0 p30 -146.4 179.95 7.17 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 168.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -54.2 -42.6 69.92 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -173.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1103 ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' 1120 ' ' PRO . 32.3 tt0 -112.73 11.79 19.51 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.361 0.601 . . . . 0.0 110.286 -170.67 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1104 ' ' TRP . . . . . 0.573 ' CD1' ' HA ' ' B' 1589 ' ' ARG . 73.9 m95 -139.02 106.63 5.59 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.78 179.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1105 ' ' TRP . . . . . 0.416 ' O ' ' HA ' ' A' 1118 ' ' VAL . 46.3 m0 -108.11 167.38 10.04 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.907 -175.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 54.0 mt -115.94 134.54 58.94 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.936 -176.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1107 ' ' GLY . . . . . 0.421 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -174.1 -169.02 35.79 Favored Glycine 0 N--CA 1.438 -1.193 0 C-N-CA 120.129 -1.034 . . . . 0.0 112.249 178.41 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 17.4 p-80 -139.77 144.74 37.55 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.732 0.301 . . . . 0.0 110.441 -178.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1109 ' ' ILE . . . . . 0.63 HD11 HG12 ' A' 1094 ' ' ILE . 40.1 mm -60.86 131.22 25.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.248 178.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -64.12 -25.15 67.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.646 -177.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1111 ' ' GLY . . . . . 0.622 ' H ' HG22 ' A' 1109 ' ' ILE . . . -101.65 5.6 54.42 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.865 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -156.22 92.16 2.58 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1113 ' ' PRO . . . . . 0.451 ' O ' ' HE3' ' A' 1116 ' ' LYS . 48.3 Cg_endo -66.87 -17.55 51.87 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 123.013 2.475 . . . . 0.0 113.475 -173.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1114 ' ' GLU . . . . . 0.551 ' HA ' ' HE3' ' A' 1116 ' ' LYS . 17.4 mt-10 -89.5 -17.47 28.57 Favored 'General case' 0 CA--C 1.509 -0.596 0 CA-C-O 120.998 0.427 . . . . 0.0 110.732 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -83.91 89.66 7.26 Favored 'General case' 0 N--CA 1.439 -1.009 0 C-N-CA 120.254 -0.578 . . . . 0.0 109.579 175.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1116 ' ' LYS . . . . . 0.551 ' HE3' ' HA ' ' A' 1114 ' ' GLU . 0.1 OUTLIER -126.81 172.38 10.43 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.745 176.723 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1117 ' ' GLY . . . . . 0.518 ' HA3' ' O ' ' A' 1085 ' ' GLU . . . 144.42 -159.49 27.75 Favored Glycine 0 N--CA 1.442 -0.963 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.732 179.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1118 ' ' VAL . . . . . 0.555 HG21 ' NH1' ' B' 1589 ' ' ARG . 2.1 t -103.51 127.07 57.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 120.851 0.358 . . . . 0.0 110.513 -177.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1119 ' ' PHE . . . . . 0.614 ' HB2' ' HE2' ' A' 1088 ' ' PHE . 23.4 p90 -124.33 142.83 41.21 Favored Pre-proline 0 C--N 1.319 -0.744 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.992 -177.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1120 ' ' PRO . . . . . 0.5 ' HG3' ' SG ' ' A' 1078 ' ' CYS . 55.7 Cg_endo -74.78 125.43 9.44 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.744 2.296 . . . . 0.0 112.594 -178.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1121 ' ' VAL . . . . . 0.534 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 75.9 t -64.28 -19.68 25.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.782 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1122 ' ' SER . . . . . 0.588 ' HB2' ' CD1' ' A' 1123 ' ' PHE . 1.2 m -59.83 -33.38 71.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.978 -179.458 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1123 ' ' PHE . . . . . 0.727 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.1 OUTLIER -104.69 4.57 32.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.839 0.352 . . . . 0.0 110.313 -172.408 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.539 HG12 ' HA ' ' A' 1074 ' ' THR . 16.4 m -128.54 157.3 41.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.885 0.374 . . . . 0.0 111.36 -178.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 52.7 t60 -117.48 129.75 56.01 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.158 0.504 . . . . 0.0 110.102 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1126 ' ' ILE . . . . . 0.604 ' HA ' HG11 ' A' 1072 ' ' VAL . 2.1 mp -75.02 128.29 36.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.485 -178.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1127 ' ' LEU . . . . . 0.581 HD11 ' HB2' ' A' 1073 ' ' LYS . 65.2 mt -110.92 62.89 0.61 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.739 -178.189 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 12.6 p -99.4 33.67 2.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.128 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 41.1 m-20 . . . . . 0 C--O 1.248 1.002 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.976 -179.47 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 74.7 m . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 120.985 0.422 . . . . 0.0 110.69 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B 1579 ' ' ILE . . . . . 0.46 HG22 ' CE1' ' A' 1076 ' ' TYR . 44.0 mm -84.05 113.96 23.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.481 178.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1580 ' ' ILE . . . . . 0.511 ' HB ' HD11 ' A' 1075 ' ' ILE . 1.6 mp -86.29 102.32 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.304 -179.084 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1581 ' ' SER . . . . . 0.47 ' HB2' ' O ' ' B' 1580 ' ' ILE . 49.6 m 75.03 -136.97 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.692 -174.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -124.42 156.94 36.29 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 172.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1583 ' ' MET . . . . . 0.633 ' HA ' ' CE1' ' A' 1076 ' ' TYR . 30.3 ttm -41.39 119.69 1.91 Allowed Pre-proline 0 CA--C 1.517 -0.305 0 O-C-N 124.044 0.84 . . . . 0.0 112.667 -168.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1584 ' ' PRO . . . . . 0.442 ' HD3' ' CZ ' ' A' 1076 ' ' TYR . 57.2 Cg_endo -71.91 171.92 15.63 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 122.522 2.148 . . . . 0.0 109.671 175.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 19.1 m -103.82 134.2 47.51 Favored 'General case' 0 C--N 1.306 -1.293 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.375 -175.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1586 ' ' LYS . . . . . 0.545 ' HD3' ' HB2' ' A' 1081 ' ' ASP . 35.6 ttmt -61.42 101.07 0.15 Allowed 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 172.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 16.3 p -73.65 6.32 3.22 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.858 -165.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1588 ' ' SER . . . . . . . . . . . . . 33.8 t 67.15 111.96 0.04 OUTLIER 'General case' 0 CA--C 1.516 -0.331 0 O-C-N 123.76 0.662 . . . . 0.0 109.488 -173.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1589 ' ' ARG . . . . . 0.856 ' HB3' ' HG3' ' B' 1592 ' ' LYS . 14.7 ttp180 -58.14 124.52 19.68 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.729 -178.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1590 ' ' LYS . . . . . 0.514 ' N ' ' HD2' ' B' 1590 ' ' LYS . 3.5 mptp? -71.31 -23.72 62.0 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.855 -173.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1591 ' ' ALA . . . . . 0.411 ' CB ' ' HG2' ' A' 1100 ' ' GLU . . . -103.19 29.79 5.3 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.149 178.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1592 ' ' LYS . . . . . 0.856 ' HG3' ' HB3' ' B' 1589 ' ' ARG . 48.4 mtmt -67.17 152.97 44.78 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 121.273 0.558 . . . . 0.0 110.629 175.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B 1593 ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -104.66 128.45 26.84 Favored Pre-proline 0 C--N 1.318 -0.783 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 173.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1594 ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -49.57 96.74 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.328 2.685 . . . . 0.0 113.03 -176.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . -144.77 -175.37 4.64 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.694 178.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.446 -0.788 . . . . 0.0 110.089 -178.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 73.2 t . . . . . 0 N--CA 1.477 0.883 0 CA-C-O 121.218 0.532 . . . . 0.0 110.209 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 1070 ' ' ARG . . . . . 0.461 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 21.0 ttp180 -87.56 114.74 24.45 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.448 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1071 ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' 1071 ' ' ARG . 46.2 ttt-85 -120.99 136.84 54.89 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.518 -172.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1072 ' ' VAL . . . . . 0.561 HG11 ' HA ' ' A' 1126 ' ' ILE . 34.9 m -130.78 152.65 37.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.903 0.382 . . . . 0.0 110.795 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1073 ' ' LYS . . . . . 0.569 ' HB2' HD12 ' A' 1127 ' ' LEU . 0.1 OUTLIER -115.57 135.31 54.2 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 177.01 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1074 ' ' THR . . . . . 0.551 ' HA ' HG13 ' A' 1124 ' ' VAL . 51.2 p -74.66 111.51 9.93 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.491 0.662 . . . . 0.0 109.771 179.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1075 ' ' ILE . . . . . 0.681 HG13 ' CD2' ' A' 1076 ' ' TYR . 19.8 pt -96.21 -3.44 10.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.812 0.815 . . . . 0.0 109.943 -178.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1076 ' ' TYR . . . . . 0.681 ' CD2' HG13 ' A' 1075 ' ' ILE . 98.6 m-85 -139.48 -179.13 5.72 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.123 -1.399 . . . . 0.0 109.848 176.39 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 4.5 p30 -116.27 135.3 54.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.829 174.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1078 ' ' CYS . . . . . 0.716 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 38.7 t -140.32 148.69 41.74 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.031 -176.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1079 ' ' GLN . . . . . 0.566 ' HA ' HG22 ' A' 1087 ' ' THR . 39.9 tt0 -127.25 143.37 51.26 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.745 0.783 . . . . 0.0 112.05 -178.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1080 ' ' ALA . . . . . 0.512 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -72.63 142.94 48.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.24 -1.345 . . . . 0.0 112.54 -174.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -91.2 -44.24 9.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.244 172.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 5.7 m120 -118.07 174.67 6.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.175 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.69 -30.12 68.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.788 0.328 . . . . 0.0 111.724 -176.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 33.7 t70 -75.84 -10.79 59.73 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.481 -173.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1085 ' ' GLU . . . . . 0.512 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 4.9 mm-40 -79.65 -175.54 4.88 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 178.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1086 ' ' LEU . . . . . 0.524 HD13 ' CA ' ' A' 1116 ' ' LYS . 5.4 tt -136.61 111.55 8.89 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.978 0.418 . . . . 0.0 110.835 178.283 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1087 ' ' THR . . . . . 0.566 HG22 ' HA ' ' A' 1079 ' ' GLN . 63.8 m -80.4 122.36 26.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.062 174.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1088 ' ' PHE . . . . . 0.738 ' HZ ' ' HB2' ' A' 1123 ' ' PHE . 5.7 p90 -135.46 153.14 51.86 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.32 178.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1089 ' ' ILE . . . . . 0.568 ' H ' HD12 ' A' 1089 ' ' ILE . 0.2 OUTLIER -117.37 158.63 17.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 174.769 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -55.64 123.38 13.88 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 123.559 0.537 . . . . 0.0 110.491 -177.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 117.35 -9.42 15.15 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.687 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -81.89 153.23 26.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.117 0.484 . . . . 0.0 110.91 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1093 ' ' VAL . . . . . 0.498 HG22 ' HG2' ' A' 1073 ' ' LYS . 63.2 t -119.42 127.17 75.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.551 176.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1094 ' ' ILE . . . . . 0.626 HG12 HD11 ' A' 1109 ' ' ILE . 20.9 mt -114.49 134.83 56.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.972 0.415 . . . . 0.0 111.093 -175.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 49.9 mm -93.17 117.85 37.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 173.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1096 ' ' VAL . . . . . 0.461 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 50.9 t -78.59 115.59 21.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.976 0.417 . . . . 0.0 110.483 -176.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1097 ' ' THR . . . . . 0.563 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 9.6 p -104.39 -12.04 16.78 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.955 -179.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -165.97 -178.28 38.72 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.242 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1099 ' ' GLU . . . . . 0.473 ' HG3' ' CD1' ' A' 1105 ' ' TRP . 47.7 tt0 -147.63 129.68 15.43 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -178.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1100 ' ' GLU . . . . . 0.75 ' HG2' ' HE ' ' B' 1589 ' ' ARG . 7.0 tp10 -103.72 -51.65 3.14 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.659 -177.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1101 ' ' ASP . . . . . 0.424 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 21.2 t70 -138.61 175.81 9.24 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -179.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -60.97 -38.62 86.58 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.119 0.485 . . . . 0.0 109.744 177.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1103 ' ' GLU . . . . . 0.631 ' HA ' ' HB ' ' A' 1121 ' ' VAL . 5.0 mm-40 -100.86 8.14 43.32 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.548 -177.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1104 ' ' TRP . . . . . 0.462 ' CD1' ' HA ' ' B' 1589 ' ' ARG . 92.7 m95 -141.59 101.89 4.07 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.048 0.451 . . . . 0.0 111.708 -176.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1105 ' ' TRP . . . . . 0.473 ' CD1' ' HG3' ' A' 1099 ' ' GLU . 45.5 m0 -106.34 164.08 12.31 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.787 178.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1106 ' ' ILE . . . . . 0.839 HG12 HG22 ' A' 1118 ' ' VAL . 54.6 mt -115.75 135.96 54.17 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.772 -175.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1107 ' ' GLY . . . . . 0.563 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -177.55 -158.54 20.82 Favored Glycine 0 N--CA 1.439 -1.159 0 C-N-CA 119.523 -1.322 . . . . 0.0 113.043 177.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 13.0 p-80 -151.11 151.47 32.0 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -178.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1109 ' ' ILE . . . . . 0.626 HD11 HG12 ' A' 1094 ' ' ILE . 47.8 mm -61.06 133.1 26.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 O-C-N 123.293 0.371 . . . . 0.0 110.395 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -50.65 -59.59 3.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 123.296 0.372 . . . . 0.0 111.86 -172.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -89.11 5.45 84.36 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.726 -0.75 . . . . 0.0 113.258 -177.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1112 ' ' GLN . . . . . 0.424 ' O ' ' HB ' ' A' 1109 ' ' ILE . 9.5 tt0 -147.56 78.97 9.77 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 121.513 0.673 . . . . 0.0 110.009 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -61.06 -26.89 83.64 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 123.841 3.027 . . . . 0.0 114.994 -172.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -73.15 -14.92 61.46 Favored 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 120.122 -0.631 . . . . 0.0 112.024 -178.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -81.91 90.28 6.44 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 166.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1116 ' ' LYS . . . . . 0.524 ' CA ' HD13 ' A' 1086 ' ' LEU . 50.8 pttt -137.74 155.34 49.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.167 -171.344 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 149.07 -166.62 29.43 Favored Glycine 0 N--CA 1.44 -1.063 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.218 -178.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1118 ' ' VAL . . . . . 0.839 HG22 HG12 ' A' 1106 ' ' ILE . 16.8 t -96.54 126.29 49.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 121.105 0.478 . . . . 0.0 110.417 178.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1119 ' ' PHE . . . . . 0.617 ' HB2' ' HE2' ' A' 1088 ' ' PHE . 25.3 p90 -121.1 149.24 50.97 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.807 -174.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1120 ' ' PRO . . . . . 0.608 ' HA ' ' O ' ' A' 1103 ' ' GLU . 64.4 Cg_endo -79.18 122.85 5.37 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 122.406 2.07 . . . . 0.0 112.909 -178.254 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1121 ' ' VAL . . . . . 0.631 ' HB ' ' HA ' ' A' 1103 ' ' GLU . 8.3 t -58.48 -25.65 28.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 114.548 -1.205 . . . . 0.0 110.445 176.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1122 ' ' SER . . . . . 0.568 ' HB2' ' HD1' ' A' 1123 ' ' PHE . 0.7 OUTLIER -58.48 -29.19 66.02 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.344 178.625 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1123 ' ' PHE . . . . . 0.738 ' HB2' ' HZ ' ' A' 1088 ' ' PHE . 0.8 OUTLIER -107.35 3.27 25.16 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.959 0.409 . . . . 0.0 111.413 -173.303 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.551 HG13 ' HA ' ' A' 1074 ' ' THR . 10.8 m -129.63 162.56 36.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.757 0.313 . . . . 0.0 111.014 -177.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1125 ' ' HIS . . . . . 0.527 ' HB2' HD13 ' A' 1075 ' ' ILE . 80.3 t60 -126.87 132.45 50.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.866 0.365 . . . . 0.0 110.104 -178.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1126 ' ' ILE . . . . . 0.561 ' HA ' HG11 ' A' 1072 ' ' VAL . 1.9 mp -72.65 123.33 27.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.432 -177.538 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1127 ' ' LEU . . . . . 0.569 HD12 ' HB2' ' A' 1073 ' ' LYS . 89.2 mt -102.02 15.81 27.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.015 -177.261 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 49.0 m -89.33 19.72 4.24 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.592 0.71 . . . . 0.0 109.822 174.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 6.0 t70 . . . . . 0 C--O 1.245 0.841 0 CA-C-N 114.875 -1.057 . . . . 0.0 108.92 177.424 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 36.9 t . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 15.3 mt -66.55 121.19 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-O 121.054 0.454 . . . . 0.0 109.821 172.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1580 ' ' ILE . . . . . 0.522 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.5 mp -72.88 111.81 7.91 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.815 177.143 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 49.2 m 58.84 -154.86 0.36 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.87 0.367 . . . . 0.0 111.382 174.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -87.99 149.43 24.03 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 171.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1583 ' ' MET . . . . . 0.555 ' HA ' ' CE1' ' A' 1076 ' ' TYR . 9.3 ttm -63.59 136.22 96.61 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.061 -174.703 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1584 ' ' PRO . . . . . 0.674 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 77.2 Cg_endo -78.52 -176.12 3.1 Favored 'Trans proline' 0 N--CA 1.451 -1.023 0 C-N-CA 123.132 2.555 . . . . 0.0 110.036 175.057 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 60.8 m -116.54 141.97 47.48 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1586 ' ' LYS . . . . . . . . . . . . . 4.3 tttt -55.8 107.18 0.32 Allowed 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.472 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 6.2 m -75.13 77.06 2.29 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.331 -0.849 . . . . 0.0 109.46 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1588 ' ' SER . . . . . . . . . . . . . 49.6 m -27.9 116.62 0.09 Allowed 'General case' 0 N--CA 1.469 0.481 0 O-C-N 124.542 1.151 . . . . 0.0 113.339 -170.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1589 ' ' ARG . . . . . 0.758 ' HD3' ' HD2' ' B' 1592 ' ' LYS . 45.5 ttt180 -46.73 110.14 0.26 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.45 -1.25 . . . . 0.0 111.625 -176.344 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1590 ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.33 -25.54 64.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.937 -170.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -82.9 -3.5 57.05 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.706 -177.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1592 ' ' LYS . . . . . 0.758 ' HD2' ' HD3' ' B' 1589 ' ' ARG . 16.3 ptmt -127.72 145.37 50.92 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1593 ' ' LYS . . . . . . . . . . . . . 25.2 mmtp -110.12 97.66 31.29 Favored Pre-proline 0 C--N 1.319 -0.758 0 CA-C-O 120.777 0.322 . . . . 0.0 110.349 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1594 ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' B' 1592 ' ' LYS . 6.8 Cg_exo -73.87 71.76 4.06 Favored 'Trans proline' 0 C--O 1.237 0.428 0 C-N-CA 123.205 2.603 . . . . 0.0 112.283 -177.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . -61.21 -50.35 73.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.341 176.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 . . . . . 0 C--O 1.249 1.035 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.242 176.991 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A 1069 ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' A' 1096 ' ' VAL . 27.9 m . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 121.022 0.439 . . . . 0.0 110.717 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1070 ' ' ARG . . . . . 0.674 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 10.0 ttm180 -139.05 161.11 38.17 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.265 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -120.78 130.48 54.02 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 121.79 -0.568 . . . . 0.0 111.265 -179.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1072 ' ' VAL . . . . . 0.535 HG11 ' HA ' ' A' 1126 ' ' ILE . 33.9 m -129.83 143.69 40.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.034 175.201 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1073 ' ' LYS . . . . . 0.6 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.4 OUTLIER -111.77 131.44 55.32 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 177.817 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1074 ' ' THR . . . . . 0.587 ' HA ' HG11 ' A' 1124 ' ' VAL . 67.9 p -71.56 124.5 24.82 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.323 -177.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1075 ' ' ILE . . . . . 0.632 ' HA ' ' OE1' ' A' 1090 ' ' GLU . 12.0 pt -106.47 9.74 9.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.855 0.836 . . . . 0.0 110.256 -179.047 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1076 ' ' TYR . . . . . 0.804 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 87.3 m-85 -157.55 166.29 33.3 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 113.942 -1.481 . . . . 0.0 110.599 -175.723 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1077 ' ' ASP . . . . . 0.418 ' HA ' ' HA ' ' A' 1089 ' ' ILE . 1.0 OUTLIER -101.11 120.9 40.89 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.239 174.257 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1078 ' ' CYS . . . . . 0.596 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 50.9 t -129.54 146.52 51.35 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 110.259 -0.275 . . . . 0.0 110.259 -176.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1079 ' ' GLN . . . . . 0.557 ' HA ' HG21 ' A' 1087 ' ' THR . 7.6 tt0 -124.37 141.65 51.91 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.929 0.871 . . . . 0.0 112.142 -179.518 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1080 ' ' ALA . . . . . 0.486 ' HB3' ' HB2' ' A' 1085 ' ' GLU . . . -70.66 146.0 50.25 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 113.968 -1.469 . . . . 0.0 112.528 -176.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 25.0 t70 -96.91 -45.44 6.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.149 171.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1082 ' ' ASN . . . . . 0.432 ' O ' ' HB3' ' A' 1080 ' ' ALA . 13.8 m120 -92.68 156.79 16.83 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.992 170.529 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.27 -18.62 64.58 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.463 177.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 30.1 t70 -88.37 -7.64 56.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.899 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1085 ' ' GLU . . . . . 0.486 ' HB2' ' HB3' ' A' 1080 ' ' ALA . 42.6 mt-10 -82.18 162.37 22.45 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 175.13 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1086 ' ' LEU . . . . . 0.58 ' HB3' ' HB3' ' A' 1119 ' ' PHE . 13.4 tp -103.95 121.8 43.89 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 120.735 0.302 . . . . 0.0 111.537 -176.075 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1087 ' ' THR . . . . . 0.557 HG21 ' HA ' ' A' 1079 ' ' GLN . 61.2 m -92.68 116.71 29.26 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 170.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1088 ' ' PHE . . . . . 0.655 ' HE2' ' HD2' ' A' 1120 ' ' PRO . 21.7 p90 -134.4 159.12 42.04 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.777 -176.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1089 ' ' ILE . . . . . 0.6 HD11 ' H ' ' A' 1089 ' ' ILE . 0.2 OUTLIER -122.73 147.55 26.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 -177.659 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1090 ' ' GLU . . . . . 0.632 ' OE1' ' HA ' ' A' 1075 ' ' ILE . 0.8 OUTLIER -60.13 129.02 39.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.124 0.487 . . . . 0.0 111.018 -175.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 109.11 -5.11 31.89 Favored Glycine 0 N--CA 1.45 -0.38 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 -175.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1092 ' ' GLU . . . . . 0.406 ' HG3' HD11 ' A' 1109 ' ' ILE . 7.0 tp10 -89.75 161.43 16.05 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.618 -0.791 . . . . 0.0 109.924 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 60.9 t -128.64 130.38 68.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.948 -176.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1094 ' ' ILE . . . . . 0.473 HG21 ' CE1' ' A' 1119 ' ' PHE . 11.0 mt -116.8 129.66 72.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.954 0.407 . . . . 0.0 110.889 -177.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 46.8 mm -89.4 105.72 16.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 172.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1096 ' ' VAL . . . . . 0.674 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 58.8 t -69.52 117.57 12.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.125 -179.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1097 ' ' THR . . . . . 0.506 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 3.6 p -100.57 -22.09 15.08 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.585 178.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -161.02 -175.61 32.24 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.491 -178.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -141.89 141.17 33.02 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 -178.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1100 ' ' GLU . . . . . 0.505 ' HB2' HD13 ' A' 1106 ' ' ILE . 44.5 tt0 -120.6 -41.65 2.58 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.762 0.791 . . . . 0.0 108.956 178.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1101 ' ' ASP . . . . . 0.683 ' OD2' ' HG2' ' B' 1590 ' ' LYS . 5.9 t70 -121.9 174.85 6.62 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.556 -1.202 . . . . 0.0 108.266 -178.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -72.01 -37.47 69.78 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 170.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -108.22 10.65 27.81 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.892 -174.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1104 ' ' TRP . . . . . 0.669 ' HB2' ' CB ' ' A' 1101 ' ' ASP . 73.4 m95 -141.44 109.66 5.88 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.425 0.631 . . . . 0.0 110.921 179.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1105 ' ' TRP . . . . . 0.576 ' CH2' HD12 ' A' 1126 ' ' ILE . 44.8 m0 -110.72 165.33 11.92 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.341 -177.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1106 ' ' ILE . . . . . 0.505 HD13 ' HB2' ' A' 1100 ' ' GLU . 42.8 mt -116.87 136.68 53.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.69 -174.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1107 ' ' GLY . . . . . 0.506 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . 179.33 -164.6 32.83 Favored Glycine 0 N--CA 1.441 -1.03 0 C-N-CA 119.887 -1.149 . . . . 0.0 112.741 178.154 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -139.25 151.12 46.25 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -176.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1109 ' ' ILE . . . . . 0.622 ' HB ' ' HB2' ' A' 1112 ' ' GLN . 34.2 mm -65.33 138.34 23.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.142 0.496 . . . . 0.0 110.661 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.59 -41.57 94.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.7 -178.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1111 ' ' GLY . . . . . 0.421 ' H ' HG21 ' A' 1109 ' ' ILE . . . -96.48 -0.87 60.82 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.504 179.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1112 ' ' GLN . . . . . 0.622 ' HB2' ' HB ' ' A' 1109 ' ' ILE . 78.9 mm-40 -141.15 79.64 17.7 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-O 121.075 0.464 . . . . 0.0 110.18 -178.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.63 -20.43 53.25 Favored 'Trans proline' 0 C--O 1.23 0.111 0 C-N-CA 123.482 2.788 . . . . 0.0 113.122 -174.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -88.95 -2.86 58.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.562 0.696 . . . . 0.0 110.269 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -104.27 90.22 3.49 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.602 174.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1116 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.25 173.28 7.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.931 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 150.2 -169.52 30.21 Favored Glycine 0 N--CA 1.443 -0.838 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.03 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1118 ' ' VAL . . . . . 0.496 HG22 HG12 ' A' 1106 ' ' ILE . 8.7 t -99.93 119.67 48.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.994 0.426 . . . . 0.0 110.156 179.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1119 ' ' PHE . . . . . 0.613 ' HZ ' HG22 ' A' 1096 ' ' VAL . 14.8 p90 -111.87 141.95 25.78 Favored Pre-proline 0 C--N 1.316 -0.862 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.368 -176.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1120 ' ' PRO . . . . . 0.655 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 59.3 Cg_endo -74.27 125.46 9.73 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 122.863 2.375 . . . . 0.0 111.891 177.516 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1121 ' ' VAL . . . . . 0.584 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 48.1 t -64.52 -15.87 18.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.604 0.716 . . . . 0.0 109.679 176.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1122 ' ' SER . . . . . 0.599 ' HB2' ' HD1' ' A' 1123 ' ' PHE . 1.0 OUTLIER -59.28 -31.36 69.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.8 178.683 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1123 ' ' PHE . . . . . 0.599 ' HD1' ' HB2' ' A' 1122 ' ' SER . 0.9 OUTLIER -110.41 6.56 22.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.941 0.401 . . . . 0.0 111.148 -173.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.587 HG11 ' HA ' ' A' 1074 ' ' THR . 18.2 m -129.57 159.3 41.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.931 -178.031 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 81.2 t60 -119.71 129.21 54.41 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1126 ' ' ILE . . . . . 0.576 HD12 ' CH2' ' A' 1105 ' ' TRP . 62.3 mt -85.87 137.77 20.26 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.705 -171.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1127 ' ' LEU . . . . . 0.6 HD11 ' HB2' ' A' 1073 ' ' LYS . 27.6 mt -122.45 85.77 2.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.47 0.653 . . . . 0.0 110.771 -174.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 8.6 t -87.9 10.96 16.98 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.008 177.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 35.3 t70 . . . . . 0 C--O 1.248 1.02 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.76 179.728 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 68.9 m . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 22.2 mt -56.65 123.36 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.258 0.552 . . . . 0.0 110.796 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1580 ' ' ILE . . . . . 0.522 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.5 mp -72.99 120.04 20.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.734 176.154 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1581 ' ' SER . . . . . 0.422 ' HB2' ' HH ' ' A' 1076 ' ' TYR . 37.2 m 55.78 -147.71 0.51 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.671 0.272 . . . . 0.0 111.079 174.465 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -97.06 148.33 23.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.892 0.377 . . . . 0.0 110.038 171.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1583 ' ' MET . . . . . 0.461 ' HA ' ' CE1' ' A' 1076 ' ' TYR . 5.5 ttm -57.81 133.17 83.04 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.389 -176.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1584 ' ' PRO . . . . . 0.804 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 1.2 Cg_endo -82.46 -174.13 1.97 Allowed 'Trans proline' 0 N--CA 1.445 -1.343 0 C-N-CA 123.247 2.631 . . . . 0.0 111.268 176.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 24.0 m -125.3 139.3 53.82 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 179.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1586 ' ' LYS . . . . . 0.477 ' C ' ' H ' ' B' 1588 ' ' SER . 40.9 ttmt -48.89 111.22 0.44 Allowed 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.581 0.551 . . . . 0.0 110.592 179.02 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 6.3 m -74.63 17.8 0.19 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.773 -175.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1588 ' ' SER . . . . . 0.477 ' H ' ' C ' ' B' 1586 ' ' LYS . 16.0 m 66.31 143.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.957 0.884 . . . . 0.0 111.594 -177.109 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1589 ' ' ARG . . . . . 0.5 ' HD2' ' OE1' ' A' 1100 ' ' GLU . 7.3 ttp180 -90.74 120.59 31.91 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 173.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1590 ' ' LYS . . . . . 0.683 ' HG2' ' OD2' ' A' 1101 ' ' ASP . 2.9 mmtt -76.24 -21.63 56.13 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -175.198 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -97.7 29.26 3.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.396 172.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1592 ' ' LYS . . . . . 0.462 ' HE3' ' OE2' ' A' 1085 ' ' GLU . 22.4 tptm -71.43 124.68 25.16 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.164 178.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1593 ' ' LYS . . . . . 0.46 ' HA ' ' HD3' ' B' 1594 ' ' PRO . 17.7 ptpt -96.24 112.14 58.8 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-O 120.903 0.382 . . . . 0.0 110.263 175.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1594 ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' B' 1593 ' ' LYS . 3.0 Cg_exo -76.25 66.5 7.07 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.923 2.415 . . . . 0.0 111.807 179.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . -56.4 -53.12 61.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.321 178.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 . . . . . 0 C--O 1.244 0.801 0 CA-C-O 118.317 -0.849 . . . . 0.0 109.092 172.922 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 59.6 t . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 120.831 0.348 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 1070 ' ' ARG . . . . . 0.547 ' HG3' ' HB2' ' A' 1128 ' ' SER . 54.0 ttp180 -117.55 126.32 52.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.711 -178.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1071 ' ' ARG . . . . . 0.403 ' HG2' HD13 ' A' 1095 ' ' ILE . 70.3 mtt180 -105.98 143.98 33.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.169 0.509 . . . . 0.0 112.057 -177.152 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1072 ' ' VAL . . . . . 0.519 HG11 ' HA ' ' A' 1126 ' ' ILE . 30.7 m -130.14 143.98 39.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.215 -0.902 . . . . 0.0 108.86 169.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1073 ' ' LYS . . . . . 0.513 ' HG2' HG23 ' A' 1093 ' ' VAL . 0.1 OUTLIER -113.2 132.72 55.38 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.108 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 1074 ' ' THR . . . . . 0.554 ' HA ' HG11 ' A' 1124 ' ' VAL . 44.4 p -73.71 120.5 19.39 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.247 0.546 . . . . 0.0 110.813 -176.273 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1075 ' ' ILE . . . . . 0.568 HG13 ' CD2' ' A' 1076 ' ' TYR . 17.1 pt -100.82 -3.49 9.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.458 -178.735 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1076 ' ' TYR . . . . . 0.754 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 94.5 m-85 -142.15 170.7 15.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.808 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1077 ' ' ASP . . . . . 0.414 ' HA ' ' HA ' ' A' 1089 ' ' ILE . 21.3 m-20 -99.51 109.45 21.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.354 174.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1078 ' ' CYS . . . . . 0.554 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 40.9 t -115.51 137.9 51.59 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.485 -177.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1079 ' ' GLN . . . . . 0.585 ' HA ' HG21 ' A' 1087 ' ' THR . 45.8 tt0 -124.59 145.68 49.47 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.91 0.862 . . . . 0.0 111.827 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1080 ' ' ALA . . . . . 0.519 ' HB2' ' HB2' ' A' 1085 ' ' GLU . . . -88.44 144.14 26.55 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.41 -1.268 . . . . 0.0 111.508 -176.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 38.1 t70 -103.53 -27.31 12.44 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 173.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 14.6 m120 -110.83 151.3 27.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.05 175.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -65.37 -20.93 66.61 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.765 -175.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 30.5 t70 -85.13 -12.82 51.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1085 ' ' GLU . . . . . 0.519 ' HB2' ' HB2' ' A' 1080 ' ' ALA . 72.7 mt-10 -87.66 153.47 21.35 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.256 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1086 ' ' LEU . . . . . 0.434 HD21 ' HB3' ' A' 1119 ' ' PHE . 16.0 tp -97.51 132.66 42.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.427 -178.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1087 ' ' THR . . . . . 0.585 HG21 ' HA ' ' A' 1079 ' ' GLN . 84.9 m -100.86 120.89 40.8 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 171.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1088 ' ' PHE . . . . . 0.536 ' CE1' ' HD2' ' A' 1120 ' ' PRO . 20.2 p90 -142.74 134.18 26.35 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.334 -177.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1089 ' ' ILE . . . . . 0.414 ' HA ' ' HA ' ' A' 1077 ' ' ASP . 2.0 pp -97.72 159.14 3.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.002 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -58.68 122.94 14.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.155 -178.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 116.59 -7.22 17.99 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.519 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1092 ' ' GLU . . . . . 0.419 ' HA ' ' OE1' ' A' 1092 ' ' GLU . 3.9 mm-40 -85.9 156.03 20.69 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.278 0.561 . . . . 0.0 111.727 177.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1093 ' ' VAL . . . . . 0.513 HG23 ' HG2' ' A' 1073 ' ' LYS . 60.4 t -119.41 130.35 74.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.055 175.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1094 ' ' ILE . . . . . 0.781 HG12 HG12 ' A' 1109 ' ' ILE . 29.7 mt -116.7 134.42 60.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.333 -177.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1095 ' ' ILE . . . . . 0.403 HD13 ' HG2' ' A' 1071 ' ' ARG . 47.5 mm -88.53 110.15 20.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 175.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1096 ' ' VAL . . . . . 0.531 HG21 ' HZ ' ' A' 1119 ' ' PHE . 22.7 t -78.69 114.6 19.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.781 -176.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1097 ' ' THR . . . . . 0.584 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 3.3 p -98.73 -21.85 16.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.209 179.007 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -161.02 -169.08 23.79 Favored Glycine 0 N--CA 1.443 -0.857 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1099 ' ' GLU . . . . . 0.563 ' HA ' ' HA ' ' A' 1105 ' ' TRP . 0.2 OUTLIER -157.25 150.53 23.85 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.478 0.656 . . . . 0.0 109.78 175.378 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 1100 ' ' GLU . . . . . 0.798 ' HG2' ' HE ' ' B' 1589 ' ' ARG . 7.6 tp10 -107.72 -50.48 3.06 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.053 -175.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1101 ' ' ASP . . . . . 0.494 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 29.4 t70 -125.76 172.94 9.4 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.373 -1.285 . . . . 0.0 107.604 176.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -63.0 -32.71 74.12 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.706 0.765 . . . . 0.0 109.116 175.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -102.72 1.57 34.59 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.318 -1.31 . . . . 0.0 111.34 -175.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1104 ' ' TRP . . . . . 0.494 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 77.9 m95 -135.91 99.52 4.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.134 -0.354 . . . . 0.0 111.234 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1105 ' ' TRP . . . . . 0.563 ' HA ' ' HA ' ' A' 1099 ' ' GLU . 39.7 m0 -100.98 162.61 12.77 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.505 -178.483 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 28.5 mt -119.79 140.35 44.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.83 -176.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1107 ' ' GLY . . . . . 0.584 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -178.4 -162.21 27.7 Favored Glycine 0 N--CA 1.44 -1.099 0 C-N-CA 119.299 -1.429 . . . . 0.0 113.245 175.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -138.09 137.25 37.57 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1109 ' ' ILE . . . . . 0.781 HG12 HG12 ' A' 1094 ' ' ILE . 6.7 mt -65.43 141.04 18.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-O 121.396 0.617 . . . . 0.0 112.243 -173.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -71.28 125.7 27.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.79 -175.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 95.55 -40.93 2.55 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.791 -0.718 . . . . 0.0 111.508 -177.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1112 ' ' GLN . . . . . 0.425 ' HB3' ' HD3' ' A' 1115 ' ' ARG . 1.5 mp0 -115.89 81.77 10.07 Favored Pre-proline 0 C--N 1.327 -0.399 0 N-CA-C 110.508 -0.182 . . . . 0.0 110.508 177.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -67.73 -3.22 9.94 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.904 2.403 . . . . 0.0 112.069 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -76.03 -27.56 57.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.114 175.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1115 ' ' ARG . . . . . 0.425 ' HD3' ' HB3' ' A' 1112 ' ' GLN . 3.8 mpt_? -90.4 90.46 8.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.217 178.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1116 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.38 156.58 28.71 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 174.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 163.21 -168.38 37.92 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.195 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1118 ' ' VAL . . . . . . . . . . . . . 13.8 t -105.84 117.33 51.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1119 ' ' PHE . . . . . 0.531 ' HZ ' HG21 ' A' 1096 ' ' VAL . 12.6 p90 -110.14 138.85 20.93 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.894 -0.593 . . . . 0.0 112.162 -176.496 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1120 ' ' PRO . . . . . 0.536 ' HD2' ' CE1' ' A' 1088 ' ' PHE . 53.9 Cg_endo -72.3 127.7 12.95 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 123.143 2.562 . . . . 0.0 112.211 175.044 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1121 ' ' VAL . . . . . 0.608 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 73.0 t -66.3 -13.48 16.09 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 121.594 0.711 . . . . 0.0 109.704 176.461 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1122 ' ' SER . . . . . 0.498 ' HB2' ' CD1' ' A' 1123 ' ' PHE . 0.9 OUTLIER -61.02 -25.84 67.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.703 178.916 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 1123 ' ' PHE . . . . . 0.554 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 1.0 OUTLIER -115.39 5.79 14.66 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.854 0.359 . . . . 0.0 111.137 -175.394 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.608 ' CG2' ' HA ' ' A' 1121 ' ' VAL . 16.4 m -131.13 154.61 40.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 121.092 0.472 . . . . 0.0 111.646 -178.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -118.38 133.05 56.2 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 178.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1126 ' ' ILE . . . . . 0.519 ' HA ' HG11 ' A' 1072 ' ' VAL . 67.5 mt -83.12 129.37 37.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.094 0.474 . . . . 0.0 111.795 -171.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 8.0 mp -94.67 -41.64 9.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.653 -175.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 1128 ' ' SER . . . . . 0.547 ' HB2' ' HG3' ' A' 1070 ' ' ARG . 23.8 m -78.75 62.93 3.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.364 0.602 . . . . 0.0 110.515 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 12.8 t70 . . . . . 0 C--O 1.245 0.864 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.486 179.637 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 39.5 m . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 10.6 mt -71.75 123.68 26.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.279 0.561 . . . . 0.0 110.277 177.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1580 ' ' ILE . . . . . 0.422 ' O ' ' CE1' ' A' 1076 ' ' TYR . 1.6 mp -71.19 127.65 33.4 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.615 175.478 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 35.4 m 48.84 -143.72 0.47 Allowed 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 173.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -104.8 143.85 32.56 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 173.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1583 ' ' MET . . . . . 0.586 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 3.2 ttm -50.1 136.64 21.46 Favored Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -174.006 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1584 ' ' PRO . . . . . 0.754 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 87.3 Cg_endo -88.18 -174.84 1.22 Allowed 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 123.738 2.959 . . . . 0.0 110.999 177.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 28.0 m -126.05 135.18 51.46 Favored 'General case' 0 C--N 1.307 -1.282 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -178.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1586 ' ' LYS . . . . . 0.421 ' C ' ' H ' ' B' 1588 ' ' SER . 28.1 ttpt -54.44 107.59 0.3 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 176.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 5.1 m -70.91 3.78 3.07 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.485 -174.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1588 ' ' SER . . . . . 0.421 ' H ' ' C ' ' B' 1586 ' ' LYS . 26.1 t 71.93 149.38 0.09 Allowed 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.477 -178.207 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1589 ' ' ARG . . . . . 0.798 ' HE ' ' HG2' ' A' 1100 ' ' GLU . 38.9 ttt180 -93.05 119.29 32.13 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.796 -176.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1590 ' ' LYS . . . . . 0.416 ' H ' ' HD2' ' B' 1590 ' ' LYS . 7.7 mptt -65.48 -11.1 40.15 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.352 -174.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -100.46 3.25 42.86 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.59 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1592 ' ' LYS . . . . . 0.556 ' HG2' ' O ' ' B' 1589 ' ' ARG . 20.8 ptmt -115.38 131.82 56.81 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 177.276 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1593 ' ' LYS . . . . . 0.465 ' HA ' ' HD3' ' B' 1594 ' ' PRO . 36.0 ttmt -108.33 128.28 25.96 Favored Pre-proline 0 C--N 1.316 -0.865 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.676 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1594 ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' B' 1593 ' ' LYS . 5.4 Cg_exo -75.47 48.56 2.15 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 123.17 2.58 . . . . 0.0 111.936 175.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . -86.43 76.22 9.66 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.835 178.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.111 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.997 -176.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 20.8 t . . . . . 0 N--CA 1.479 1.024 0 CA-C-O 121.556 0.693 . . . . 0.0 109.864 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 1070 ' ' ARG . . . . . 0.71 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 21.8 ttm180 -140.13 123.91 17.36 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 178.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 55.0 ttt-85 -98.24 127.7 44.31 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 120.25 -0.58 . . . . 0.0 111.122 -172.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1072 ' ' VAL . . . . . 0.573 HG11 ' HA ' ' A' 1126 ' ' ILE . 18.7 m -128.53 152.59 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.92 176.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1073 ' ' LYS . . . . . 0.546 ' HB2' HD12 ' A' 1127 ' ' LEU . 0.3 OUTLIER -120.36 134.27 55.3 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 177.654 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1074 ' ' THR . . . . . 0.592 ' HA ' HG11 ' A' 1124 ' ' VAL . 65.4 p -71.43 115.83 11.05 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.455 0.645 . . . . 0.0 110.275 -177.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1075 ' ' ILE . . . . . 0.531 HD12 ' HB ' ' B' 1580 ' ' ILE . 11.1 pt -98.27 1.2 10.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-O 121.514 0.673 . . . . 0.0 109.714 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1076 ' ' TYR . . . . . 0.675 ' HB2' ' HB3' ' A' 1123 ' ' PHE . 32.5 m-85 -146.82 172.52 13.52 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.541 -1.209 . . . . 0.0 112.005 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -107.99 114.76 28.92 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.531 -1.213 . . . . 0.0 108.398 178.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1078 ' ' CYS . . . . . 0.609 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 47.0 t -126.32 145.43 50.44 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.999 0.428 . . . . 0.0 110.369 -177.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1079 ' ' GLN . . . . . 0.549 ' HA ' HG22 ' A' 1087 ' ' THR . 65.0 tt0 -126.78 145.63 50.55 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.224 -177.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1080 ' ' ALA . . . . . 0.515 ' CB ' ' HB2' ' A' 1085 ' ' GLU . . . -66.13 143.42 57.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.384 -1.28 . . . . 0.0 112.365 -177.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1081 ' ' ASP . . . . . 0.537 ' CG ' ' HZ2' ' B' 1586 ' ' LYS . 14.9 m-20 -86.94 -35.5 18.87 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.688 173.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -134.99 178.47 7.0 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.813 -176.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 22.7 t70 -61.15 -40.3 93.32 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -172.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -94.83 51.98 1.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.232 0.539 . . . . 0.0 111.619 -173.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1085 ' ' GLU . . . . . 0.515 ' HB2' ' CB ' ' A' 1080 ' ' ALA . 9.2 mm-40 -129.35 -173.69 3.07 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 174.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1086 ' ' LEU . . . . . 0.749 HD21 ' HB3' ' A' 1119 ' ' PHE . 15.8 tp -124.2 123.8 41.06 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.805 0.336 . . . . 0.0 111.34 176.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1087 ' ' THR . . . . . 0.549 HG22 ' HA ' ' A' 1079 ' ' GLN . 88.6 m -97.13 120.66 37.9 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 170.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1088 ' ' PHE . . . . . 0.773 ' HE2' ' HD2' ' A' 1120 ' ' PRO . 19.6 p90 -133.6 152.08 51.82 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 -178.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1089 ' ' ILE . . . . . 0.548 HD11 ' H ' ' A' 1089 ' ' ILE . 0.2 OUTLIER -118.8 157.43 20.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.974 0.416 . . . . 0.0 110.87 178.547 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -61.21 125.19 22.87 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.817 -172.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 116.08 -10.49 17.78 Favored Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.008 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -84.95 158.26 20.58 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.123 0.487 . . . . 0.0 111.377 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1093 ' ' VAL . . . . . 0.497 HG22 ' HG2' ' A' 1073 ' ' LYS . 63.3 t -121.94 125.89 73.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.073 178.212 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1094 ' ' ILE . . . . . 0.655 HG12 HG12 ' A' 1109 ' ' ILE . 44.7 mt -114.45 134.69 56.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.404 -176.13 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 51.2 mm -94.58 108.53 20.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 176.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1096 ' ' VAL . . . . . 0.71 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 99.2 t -70.19 124.53 26.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.316 -178.618 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 14.8 p -111.95 -25.78 9.23 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.119 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -148.29 -176.09 21.46 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.507 -176.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1099 ' ' GLU . . . . . 0.413 ' HA ' ' HA ' ' A' 1105 ' ' TRP . 18.8 tt0 -153.96 129.53 9.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.839 0.352 . . . . 0.0 110.658 -175.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1100 ' ' GLU . . . . . 0.45 ' HG2' HD11 ' A' 1106 ' ' ILE . 23.3 mm-40 -106.56 -50.77 3.06 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.485 0.66 . . . . 0.0 109.958 178.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1101 ' ' ASP . . . . . 0.747 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 19.6 t70 -133.55 174.37 10.5 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.738 -174.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -60.15 -38.86 84.41 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1103 ' ' GLU . . . . . 0.621 ' O ' ' HA ' ' A' 1120 ' ' PRO . 13.0 mt-10 -112.45 21.19 15.95 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.166 -179.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1104 ' ' TRP . . . . . 0.747 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 94.5 m95 -141.92 100.57 3.77 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.182 0.515 . . . . 0.0 111.395 -179.089 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1105 ' ' TRP . . . . . 0.437 ' CZ3' ' HD2' ' A' 1070 ' ' ARG . 44.9 m0 -111.35 163.89 13.51 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.992 -179.021 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1106 ' ' ILE . . . . . 0.643 HG12 HG22 ' A' 1118 ' ' VAL . 56.0 mt -115.59 137.57 48.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -177.463 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1107 ' ' GLY . . . . . 0.403 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -175.47 -168.39 35.85 Favored Glycine 0 N--CA 1.436 -1.358 0 C-N-CA 119.573 -1.298 . . . . 0.0 112.429 177.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1108 ' ' HIS . . . . . 0.421 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 20.7 p-80 -139.78 144.42 37.38 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -178.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1109 ' ' ILE . . . . . 0.655 HG12 HG12 ' A' 1094 ' ' ILE . 5.6 mt -70.03 141.42 17.14 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.402 -174.088 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -52.91 -62.08 1.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.78 -168.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -79.0 -25.4 59.96 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.56 -176.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1112 ' ' GLN . . . . . 0.408 HE21 ' HB2' ' A' 1112 ' ' GLN . 0.0 OUTLIER -113.18 83.03 6.0 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 177.722 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -66.93 -22.86 47.9 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.199 2.599 . . . . 0.0 114.009 -169.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -89.09 -8.12 54.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.199 0.523 . . . . 0.0 110.656 -177.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -86.56 89.68 7.99 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 171.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1116 ' ' LYS . . . . . 0.421 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 16.3 pttp -130.13 158.58 39.28 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.787 -174.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 168.36 -163.23 36.99 Favored Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 -177.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1118 ' ' VAL . . . . . 0.643 HG22 HG12 ' A' 1106 ' ' ILE . 14.7 t -106.99 116.59 51.05 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 CA-C-O 121.11 0.481 . . . . 0.0 109.946 176.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1119 ' ' PHE . . . . . 0.749 ' HB3' HD21 ' A' 1086 ' ' LEU . 14.9 p90 -109.23 142.87 26.54 Favored Pre-proline 0 C--N 1.319 -0.744 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.701 -176.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1120 ' ' PRO . . . . . 0.773 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 62.4 Cg_endo -76.46 125.13 8.15 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.545 2.163 . . . . 0.0 112.432 176.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1121 ' ' VAL . . . . . 0.596 ' HB ' ' HA ' ' A' 1103 ' ' GLU . 96.0 t -62.85 -19.28 22.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.746 179.12 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1122 ' ' SER . . . . . 0.515 ' HB2' ' CD1' ' A' 1123 ' ' PHE . 1.3 m -61.17 -31.32 71.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.925 -179.185 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1123 ' ' PHE . . . . . 0.675 ' HB3' ' HB2' ' A' 1076 ' ' TYR . 0.1 OUTLIER -107.0 2.84 25.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.105 0.479 . . . . 0.0 110.413 -174.073 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.592 HG11 ' HA ' ' A' 1074 ' ' THR . 16.0 m -125.43 158.33 33.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.391 179.443 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1125 ' ' HIS . . . . . 0.501 ' HB2' HD13 ' A' 1075 ' ' ILE . 82.8 t60 -120.69 131.93 54.82 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1126 ' ' ILE . . . . . 0.573 ' HA ' HG11 ' A' 1072 ' ' VAL . 2.1 mp -76.58 131.37 34.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.219 -177.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1127 ' ' LEU . . . . . 0.546 HD12 ' HB2' ' A' 1073 ' ' LYS . 43.3 mt -115.31 80.86 1.49 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.028 -179.458 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 32.6 m -89.47 20.41 3.92 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.543 -179.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 10.4 m-20 . . . . . 0 C--O 1.248 1.008 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.156 175.463 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 21.1 m . . . . . 0 N--CA 1.477 0.892 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 35.0 mt -94.18 133.94 33.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.991 0.424 . . . . 0.0 111.051 -177.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1580 ' ' ILE . . . . . 0.531 ' HB ' HD12 ' A' 1075 ' ' ILE . 1.6 mp -99.06 101.37 12.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.314 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1581 ' ' SER . . . . . 0.442 ' HB2' ' O ' ' B' 1580 ' ' ILE . 47.1 m 74.58 -140.89 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.19 -177.309 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -119.15 157.37 28.05 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 173.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1583 ' ' MET . . . . . 0.626 ' HA ' ' CE1' ' A' 1076 ' ' TYR . 31.9 ttm -42.01 119.52 2.17 Favored Pre-proline 0 C--O 1.236 0.391 0 O-C-N 123.925 0.765 . . . . 0.0 112.635 -170.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1584 ' ' PRO . . . . . 0.464 ' HD3' ' CZ ' ' A' 1076 ' ' TYR . 60.0 Cg_endo -71.75 -176.59 2.1 Favored 'Trans proline' 0 N--CA 1.454 -0.844 0 C-N-CA 123.062 2.508 . . . . 0.0 110.26 176.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 5.8 m -109.11 129.87 55.48 Favored 'General case' 0 N--CA 1.434 -1.23 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1586 ' ' LYS . . . . . 0.537 ' HZ2' ' CG ' ' A' 1081 ' ' ASP . 26.9 ttpt -63.63 98.14 0.17 Allowed 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 174.36 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 19.9 m -71.67 77.87 0.83 Allowed 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.209 -178.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1588 ' ' SER . . . . . 0.627 ' O ' ' HD3' ' B' 1590 ' ' LYS . 4.5 m -29.48 128.03 0.1 Allowed 'General case' 0 N--CA 1.468 0.45 0 O-C-N 124.564 1.165 . . . . 0.0 113.39 -168.576 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1589 ' ' ARG . . . . . 0.48 ' HB3' ' HG2' ' B' 1592 ' ' LYS . 15.0 ttp85 -53.02 106.1 0.15 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.293 -0.867 . . . . 0.0 112.106 -172.005 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1590 ' ' LYS . . . . . 0.627 ' HD3' ' O ' ' B' 1588 ' ' SER . 0.0 OUTLIER -63.4 -15.7 58.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 114.828 -1.078 . . . . 0.0 111.374 -177.582 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -88.18 1.57 54.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.679 -177.213 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1592 ' ' LYS . . . . . 0.48 ' HG2' ' HB3' ' B' 1589 ' ' ARG . 17.9 ptmt -137.64 136.59 37.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.86 0.362 . . . . 0.0 110.366 178.63 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1593 ' ' LYS . . . . . 0.443 ' HA ' ' HD3' ' B' 1594 ' ' PRO . 31.5 mmtt -81.77 125.39 78.07 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.405 177.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B 1594 ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' B' 1593 ' ' LYS . 0.9 OUTLIER -85.15 23.58 0.83 Allowed 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 123.054 2.503 . . . . 0.0 111.813 175.246 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . -161.42 105.03 1.27 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.261 -177.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.373 -0.822 . . . . 0.0 109.419 173.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 15.9 m . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.557 0.217 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 1070 ' ' ARG . . . . . 0.724 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 14.3 ttm180 -140.82 116.53 10.28 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.006 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 45.1 ttt-85 -117.79 140.7 49.32 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 -177.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1072 ' ' VAL . . . . . 0.578 HG11 ' HA ' ' A' 1126 ' ' ILE . 18.4 m -133.99 154.8 38.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.772 0.32 . . . . 0.0 110.463 178.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1073 ' ' LYS . . . . . 0.482 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.4 OUTLIER -122.71 136.23 54.81 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 176.263 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 1074 ' ' THR . . . . . 0.575 ' HA ' HG11 ' A' 1124 ' ' VAL . 48.6 p -74.82 124.26 26.51 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.799 -175.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1075 ' ' ILE . . . . . 0.595 HG13 ' CD2' ' A' 1076 ' ' TYR . 16.1 pt -102.23 -2.93 9.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-O 121.556 0.693 . . . . 0.0 110.114 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1076 ' ' TYR . . . . . 0.751 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 95.0 m-85 -139.8 173.74 11.22 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.927 178.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.61 131.13 54.13 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.662 175.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1078 ' ' CYS . . . . . 0.679 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 42.7 t -142.42 145.73 34.11 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.027 -176.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1079 ' ' GLN . . . . . 0.494 ' HA ' HG21 ' A' 1087 ' ' THR . 27.6 tt0 -129.01 149.44 50.83 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 121.328 0.585 . . . . 0.0 111.356 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1080 ' ' ALA . . . . . 0.472 ' HB2' ' HB2' ' A' 1085 ' ' GLU . . . -60.2 131.18 50.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.781 -1.1 . . . . 0.0 112.485 -176.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 13.6 t70 -92.83 -24.75 18.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.009 176.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1082 ' ' ASN . . . . . 0.439 ' H ' ' HG3' ' A' 1085 ' ' GLU . 7.8 t-20 -145.67 -172.12 3.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.324 -172.161 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 20.0 t70 -61.61 -41.36 97.34 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -171.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 37.3 t70 -113.14 48.47 1.03 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.889 0.852 . . . . 0.0 110.624 -176.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1085 ' ' GLU . . . . . 0.595 ' HG2' HH21 ' B' 1589 ' ' ARG . 2.0 mm-40 -108.98 157.1 18.98 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.532 175.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1086 ' ' LEU . . . . . 0.546 HD21 ' HB3' ' A' 1119 ' ' PHE . 16.1 tp -105.29 129.27 53.68 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.762 0.315 . . . . 0.0 111.313 -177.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1087 ' ' THR . . . . . 0.494 HG21 ' HA ' ' A' 1079 ' ' GLN . 60.4 m -100.91 119.67 39.04 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 171.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1088 ' ' PHE . . . . . 0.562 ' CZ ' ' HD2' ' A' 1120 ' ' PRO . 19.4 p90 -143.06 140.45 30.94 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.271 -176.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1089 ' ' ILE . . . . . 0.483 HD11 ' HB2' ' A' 1092 ' ' GLU . 1.8 pp -104.16 158.32 5.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.0 -178.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1090 ' ' GLU . . . . . 0.413 ' HG3' ' HA ' ' B' 1579 ' ' ILE . 2.9 tm-20 -59.19 123.35 16.37 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 110.84 -1.71 28.79 Favored Glycine 0 N--CA 1.454 -0.154 0 C-N-CA 120.852 -0.689 . . . . 0.0 111.79 -177.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1092 ' ' GLU . . . . . 0.483 ' HB2' HD11 ' A' 1089 ' ' ILE . 5.4 tp10 -84.83 160.79 20.13 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.649 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 62.1 t -129.51 131.68 66.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1094 ' ' ILE . . . . . 0.482 HG22 ' CE1' ' A' 1119 ' ' PHE . 10.4 mt -122.78 133.26 69.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.06 0.457 . . . . 0.0 110.85 -176.056 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 44.9 mm -90.33 115.6 30.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 174.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1096 ' ' VAL . . . . . 0.724 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 46.9 t -75.61 111.66 12.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.15 0.5 . . . . 0.0 110.645 -177.279 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1097 ' ' THR . . . . . 0.541 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 64.3 p -98.08 -17.63 18.99 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.793 -178.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -169.06 -176.83 39.4 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.333 -0.937 . . . . 0.0 112.684 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -135.9 143.82 45.19 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1100 ' ' GLU . . . . . 0.482 ' HB2' HD13 ' A' 1106 ' ' ILE . 36.1 tt0 -122.54 -40.74 2.43 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.699 0.761 . . . . 0.0 109.285 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1101 ' ' ASP . . . . . 0.588 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 10.1 t70 -126.4 -167.17 1.68 Allowed 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.827 -1.079 . . . . 0.0 108.357 -179.393 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -86.98 -39.85 15.31 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 170.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1103 ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' 1120 ' ' PRO . 22.6 tt0 -101.0 10.79 40.69 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 114.64 -1.163 . . . . 0.0 110.418 -177.446 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1104 ' ' TRP . . . . . 0.588 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 79.8 m95 -141.56 113.37 7.83 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.104 0.478 . . . . 0.0 111.474 -178.801 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 44.5 m0 -115.0 164.1 14.64 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.762 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1106 ' ' ILE . . . . . 0.605 HG12 HG23 ' A' 1118 ' ' VAL . 18.7 mt -115.98 143.35 26.19 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.645 -174.212 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1107 ' ' GLY . . . . . 0.541 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . 177.6 -158.14 23.17 Favored Glycine 0 N--CA 1.436 -1.361 0 C-N-CA 119.918 -1.134 . . . . 0.0 112.178 176.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -143.22 151.56 40.74 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 -179.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1109 ' ' ILE . . . . . 0.446 HD12 HG12 ' A' 1094 ' ' ILE . 36.9 mm -62.22 130.7 26.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.279 179.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -52.57 -57.16 10.86 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -170.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -82.87 0.94 89.3 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.877 -0.678 . . . . 0.0 113.182 -176.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -143.93 86.0 8.78 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-O 121.08 0.467 . . . . 0.0 109.893 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -60.99 -29.05 87.23 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 123.352 2.701 . . . . 0.0 113.793 -171.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -78.57 -9.09 59.23 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.39 -177.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -87.66 89.43 7.99 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 171.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1116 ' ' LYS . . . . . 0.516 ' H ' ' HD3' ' A' 1116 ' ' LYS . 0.2 OUTLIER -125.29 165.17 18.81 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.53 -176.855 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 154.82 -167.22 32.63 Favored Glycine 0 N--CA 1.441 -1.01 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1118 ' ' VAL . . . . . 0.605 HG23 HG12 ' A' 1106 ' ' ILE . 15.5 t -104.29 122.18 56.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 120.964 0.411 . . . . 0.0 110.041 178.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1119 ' ' PHE . . . . . 0.546 ' HB3' HD21 ' A' 1086 ' ' LEU . 12.2 p90 -110.4 140.35 22.4 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.903 -178.199 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1120 ' ' PRO . . . . . 0.562 ' HD2' ' CZ ' ' A' 1088 ' ' PHE . 58.4 Cg_endo -73.42 123.17 8.48 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.741 2.294 . . . . 0.0 111.944 176.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1121 ' ' VAL . . . . . 0.545 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 57.4 t -62.48 -19.35 22.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.999 178.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.96 -22.82 67.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.886 177.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1123 ' ' PHE . . . . . 0.679 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.7 OUTLIER -111.48 2.02 17.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.88 0.371 . . . . 0.0 111.136 -176.274 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.575 HG11 ' HA ' ' A' 1074 ' ' THR . 17.0 m -129.53 165.5 29.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.035 0.445 . . . . 0.0 111.27 -178.114 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 64.4 t60 -126.12 130.55 51.27 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.929 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1126 ' ' ILE . . . . . 0.578 ' HA ' HG11 ' A' 1072 ' ' VAL . 2.0 mp -73.87 132.56 33.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.472 -176.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1127 ' ' LEU . . . . . 0.482 HD11 ' HB2' ' A' 1073 ' ' LYS . 71.1 mt -124.05 59.93 1.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.045 0.45 . . . . 0.0 110.976 -177.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 6.0 p -87.36 8.25 25.3 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 122.026 0.917 . . . . 0.0 109.473 173.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 35.2 t70 . . . . . 0 C--O 1.247 0.965 0 CA-C-N 114.224 -1.353 . . . . 0.0 109.853 -179.486 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 62.8 m . . . . . 0 N--CA 1.477 0.886 0 CA-C-O 120.513 0.197 . . . . 0.0 110.691 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B 1579 ' ' ILE . . . . . 0.413 ' HA ' ' HG3' ' A' 1090 ' ' GLU . 37.6 mt -68.14 122.95 20.39 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 C-N-CA 120.309 -0.556 . . . . 0.0 109.827 175.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1580 ' ' ILE . . . . . 0.452 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.7 mp -70.4 119.6 16.81 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 175.28 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 74.1 m 54.62 -161.28 0.15 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 171.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -85.41 155.68 21.17 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.339 168.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1583 ' ' MET . . . . . 0.469 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 2.9 ttm -60.7 135.61 92.45 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -175.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1584 ' ' PRO . . . . . 0.751 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 86.5 Cg_endo -80.17 -175.59 2.78 Favored 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 123.301 2.667 . . . . 0.0 110.413 173.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 9.5 m -110.09 134.85 51.75 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 -177.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1586 ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -65.97 101.47 0.68 Allowed 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 173.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 16.3 t -76.49 4.17 9.74 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.767 -169.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1588 ' ' SER . . . . . . . . . . . . . 21.8 m 67.12 155.5 0.1 Allowed 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.363 0.601 . . . . 0.0 110.445 -174.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1589 ' ' ARG . . . . . 0.617 ' HB2' ' HG3' ' B' 1592 ' ' LYS . 2.5 mtt180 -86.77 131.68 34.06 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 176.423 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1590 ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -76.94 -14.55 59.85 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 -175.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -86.81 -8.63 57.16 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 114.922 -1.035 . . . . 0.0 111.238 176.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1592 ' ' LYS . . . . . 0.617 ' HG3' ' HB2' ' B' 1589 ' ' ARG . 10.0 mtpm? -78.36 101.02 7.01 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.413 0.625 . . . . 0.0 109.982 177.092 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B 1593 ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -108.21 120.36 46.97 Favored Pre-proline 0 C--N 1.315 -0.914 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.339 -174.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1594 ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -70.04 82.87 0.78 Allowed 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.614 2.209 . . . . 0.0 112.128 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . 69.39 112.74 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.087 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 . . . . . 0 C--O 1.251 1.175 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.137 -179.059 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 46.7 t . . . . . 0 N--CA 1.478 0.954 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 1070 ' ' ARG . . . . . 0.513 ' HD3' ' CZ3' ' A' 1105 ' ' TRP . 33.2 ttm180 -94.23 119.82 33.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.472 0.653 . . . . 0.0 110.377 178.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1071 ' ' ARG . . . . . 0.441 ' HG3' HD11 ' A' 1095 ' ' ILE . 43.5 ttt180 -127.79 149.99 50.02 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.03 -0.987 . . . . 0.0 108.644 -175.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1072 ' ' VAL . . . . . 0.564 HG11 ' HA ' ' A' 1126 ' ' ILE . 29.9 m -137.04 151.51 27.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.137 0.494 . . . . 0.0 110.806 177.254 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1073 ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -116.36 137.8 51.86 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 177.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1074 ' ' THR . . . . . 0.536 ' HA ' HG12 ' A' 1124 ' ' VAL . 43.3 p -82.21 124.9 30.33 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.146 0.498 . . . . 0.0 110.572 -176.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1075 ' ' ILE . . . . . 0.657 HG13 ' CD2' ' A' 1076 ' ' TYR . 22.4 pt -106.55 0.68 10.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.588 -177.382 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1076 ' ' TYR . . . . . 0.743 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 90.1 m-85 -141.79 171.51 13.96 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.858 -1.064 . . . . 0.0 111.199 179.354 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -103.79 105.1 15.21 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 115.485 -0.78 . . . . 0.0 108.924 177.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1078 ' ' CYS . . . . . 0.615 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 50.8 t -118.69 143.21 47.0 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-O 121.212 0.53 . . . . 0.0 110.598 -175.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1079 ' ' GLN . . . . . 0.526 ' HA ' HG22 ' A' 1087 ' ' THR . 50.7 tt0 -129.44 143.28 50.77 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.891 178.497 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1080 ' ' ALA . . . . . . . . . . . . . . . -55.86 127.06 28.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.993 -174.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1081 ' ' ASP . . . . . 0.546 ' HB2' ' HE2' ' B' 1586 ' ' LYS . 28.1 t70 -76.84 -49.03 16.71 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.364 177.52 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -109.69 -171.22 1.8 Allowed 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 172.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 20.9 t70 -74.27 -32.38 62.9 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.905 0.383 . . . . 0.0 111.371 -178.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 36.9 t70 -80.24 -13.77 58.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.689 -171.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -79.54 166.52 21.85 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.892 0.377 . . . . 0.0 110.862 177.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 17.6 tp -104.74 140.51 37.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.216 -178.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1087 ' ' THR . . . . . 0.526 HG22 ' HA ' ' A' 1079 ' ' GLN . 89.8 m -102.77 116.62 32.93 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 172.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1088 ' ' PHE . . . . . 0.652 ' CE1' ' HD2' ' A' 1120 ' ' PRO . 25.1 p90 -140.18 135.48 32.47 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.128 -176.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1089 ' ' ILE . . . . . 0.659 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -103.48 159.49 4.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.189 -175.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -59.4 126.45 27.7 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 -177.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 106.01 -0.21 38.57 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.879 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -89.68 161.92 15.86 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 60.8 t -128.84 131.59 68.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -178.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1094 ' ' ILE . . . . . 0.508 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 18.3 mt -118.79 136.11 57.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 121.073 0.463 . . . . 0.0 110.949 -177.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1095 ' ' ILE . . . . . 0.441 HD11 ' HG3' ' A' 1071 ' ' ARG . 48.0 mm -93.81 115.28 32.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 173.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 21.4 t -76.9 118.63 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.015 0.436 . . . . 0.0 110.48 -176.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 33.6 p -97.09 -22.04 17.01 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.839 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -170.33 -178.54 41.24 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.699 178.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 21.6 mp0 -133.64 139.5 46.53 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1100 ' ' GLU . . . . . 0.653 ' HB2' HD12 ' A' 1106 ' ' ILE . 36.7 tt0 -120.94 -44.05 2.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.559 0.695 . . . . 0.0 109.507 -178.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1101 ' ' ASP . . . . . 0.688 ' OD2' ' HG2' ' B' 1590 ' ' LYS . 8.9 t70 -113.85 -171.29 1.87 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.575 -1.193 . . . . 0.0 107.84 177.542 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1102 ' ' GLN . . . . . 0.518 ' HG3' ' HG3' ' A' 1103 ' ' GLU . 28.9 pt20 -91.99 -31.11 15.73 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 173.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1103 ' ' GLU . . . . . 0.518 ' HG3' ' HG3' ' A' 1102 ' ' GLN . 36.5 mt-10 -104.35 9.78 35.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.638 178.137 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1104 ' ' TRP . . . . . 0.638 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 83.6 m95 -141.78 111.19 6.45 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 121.53 0.681 . . . . 0.0 111.615 -177.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1105 ' ' TRP . . . . . 0.513 ' CZ3' ' HD3' ' A' 1070 ' ' ARG . 40.9 m0 -115.26 163.26 15.93 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.211 -179.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1106 ' ' ILE . . . . . 0.653 HD12 ' HB2' ' A' 1100 ' ' GLU . 3.4 mp -114.49 140.76 33.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 -175.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -177.89 -159.03 22.02 Favored Glycine 0 N--CA 1.433 -1.512 0 C-N-CA 119.735 -1.222 . . . . 0.0 111.856 175.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1108 ' ' HIS . . . . . 0.45 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 6.7 p-80 -144.79 152.95 41.11 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1109 ' ' ILE . . . . . 0.472 HG23 ' NE2' ' A' 1112 ' ' GLN . 26.1 mm -61.4 140.06 19.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 179.417 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -60.22 -57.63 11.96 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.243 -176.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -73.23 -26.04 71.6 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 121.083 -0.579 . . . . 0.0 112.913 -179.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1112 ' ' GLN . . . . . 0.472 ' NE2' HG23 ' A' 1109 ' ' ILE . 1.2 mp0 -120.2 84.36 33.96 Favored Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 178.185 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -66.47 -20.0 54.6 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.235 2.624 . . . . 0.0 113.201 -173.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -79.27 -14.55 58.96 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.941 0.4 . . . . 0.0 110.572 -178.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -93.85 93.65 8.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.096 0.475 . . . . 0.0 109.884 177.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1116 ' ' LYS . . . . . 0.45 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 0.0 OUTLIER -121.52 166.83 13.59 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.431 -177.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 158.8 -172.35 35.6 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.434 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1118 ' ' VAL . . . . . . . . . . . . . 17.8 t -101.93 116.27 45.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.233 0.539 . . . . 0.0 110.151 178.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1119 ' ' PHE . . . . . 0.444 ' CE1' HG21 ' A' 1094 ' ' ILE . 16.2 p90 -106.08 139.78 20.61 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.587 -176.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1120 ' ' PRO . . . . . 0.652 ' HD2' ' CE1' ' A' 1088 ' ' PHE . 41.4 Cg_endo -72.74 123.4 8.96 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 122.508 2.139 . . . . 0.0 112.699 176.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1121 ' ' VAL . . . . . 0.581 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 68.5 t -60.32 -19.99 19.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 114.812 -1.085 . . . . 0.0 110.568 176.308 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1122 ' ' SER . . . . . 0.522 ' HB2' ' HD1' ' A' 1123 ' ' PHE . 4.6 m -60.19 -27.3 67.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.766 178.172 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1123 ' ' PHE . . . . . 0.615 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.5 OUTLIER -110.6 3.48 19.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.793 0.33 . . . . 0.0 111.047 -173.613 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 1124 ' ' VAL . . . . . 0.581 ' CG2' ' HA ' ' A' 1121 ' ' VAL . 13.2 m -129.05 168.56 22.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.09 0.471 . . . . 0.0 111.62 -177.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 24.7 t60 -129.4 138.15 51.33 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.548 -0.751 . . . . 0.0 108.988 -178.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1126 ' ' ILE . . . . . 0.564 ' HA ' HG11 ' A' 1072 ' ' VAL . 1.8 mp -82.06 123.22 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.509 0.671 . . . . 0.0 111.722 -172.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 9.7 mp -112.64 88.71 2.89 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.984 0.897 . . . . 0.0 110.858 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 61.8 m -152.4 22.4 0.63 Allowed 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 114.387 -1.279 . . . . 0.0 108.368 177.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 19.9 t70 . . . . . 0 C--O 1.243 0.753 0 CA-C-N 114.237 -1.347 . . . . 0.0 109.409 -174.94 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 28.4 m . . . . . 0 N--CA 1.479 0.985 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 33.0 mt -64.68 127.53 25.64 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.371 0 CA-C-O 121.256 0.55 . . . . 0.0 110.324 178.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1580 ' ' ILE . . . . . 0.519 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.7 mp -80.74 108.39 14.05 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.639 175.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 39.1 m 61.02 -154.52 0.36 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.333 0.587 . . . . 0.0 112.067 171.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -88.98 161.37 16.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.344 171.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1583 ' ' MET . . . . . 0.611 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 4.5 ttm -68.36 138.95 91.81 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -173.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1584 ' ' PRO . . . . . 0.743 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 78.6 Cg_endo -84.8 -175.72 2.19 Favored 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 123.492 2.795 . . . . 0.0 111.326 175.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 27.3 m -111.9 132.27 54.84 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 -179.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1586 ' ' LYS . . . . . 0.546 ' HE2' ' HB2' ' A' 1081 ' ' ASP . 2.5 tmmt? -59.79 103.05 0.18 Allowed 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 175.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 15.6 t -74.26 4.14 6.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.785 -1.098 . . . . 0.0 113.723 -164.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1588 ' ' SER . . . . . . . . . . . . . 25.1 m 68.35 141.43 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.05 0.452 . . . . 0.0 111.617 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1589 ' ' ARG . . . . . 0.765 ' HB2' ' HG2' ' B' 1592 ' ' LYS . 2.7 mtm180 -85.31 133.76 34.14 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 173.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1590 ' ' LYS . . . . . 0.688 ' HG2' ' OD2' ' A' 1101 ' ' ASP . 27.2 mmtt -78.6 -13.15 59.97 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 -176.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -82.71 -8.76 59.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.327 177.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1592 ' ' LYS . . . . . 0.765 ' HG2' ' HB2' ' B' 1589 ' ' ARG . 20.2 ptmt -129.28 149.65 50.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.925 0.393 . . . . 0.0 110.267 178.445 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1593 ' ' LYS . . . . . 0.528 ' HD3' ' H ' ' B' 1593 ' ' LYS . 0.0 OUTLIER -95.39 136.85 22.24 Favored Pre-proline 0 C--N 1.319 -0.758 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.085 176.287 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B 1594 ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' B' 1593 ' ' LYS . 13.6 Cg_exo -68.7 76.91 0.76 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.206 2.604 . . . . 0.0 111.797 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . -128.06 166.84 17.66 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.765 -178.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 6.9 pt20 . . . . . 0 C--O 1.249 1.054 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.948 176.231 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 1070 ' ' ARG . . . . . 0.643 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 29.2 ttm180 . . . . . 0 N--CA 1.455 -0.219 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1071 ' ' ARG . . . . . 0.533 ' HB3' ' HB2' ' A' 1127 ' ' LEU . 37.9 ttt180 -127.83 142.53 51.26 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -174.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1072 ' ' VAL . . . . . 0.574 HG12 ' HA ' ' A' 1126 ' ' ILE . 29.3 m -136.46 144.66 32.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.028 0.442 . . . . 0.0 110.454 175.048 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1073 ' ' LYS . . . . . 0.672 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.1 OUTLIER -111.6 128.17 55.96 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 177.546 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1074 ' ' THR . . . . . 0.576 ' HA ' HG12 ' A' 1124 ' ' VAL . 42.4 p -70.85 118.29 13.44 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.479 0.657 . . . . 0.0 110.283 -177.065 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1075 ' ' ILE . . . . . 0.65 HG13 ' CD2' ' A' 1076 ' ' TYR . 14.8 pt -101.48 -4.19 9.31 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.375 -177.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1076 ' ' TYR . . . . . 0.778 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 97.5 m-85 -139.61 175.38 9.62 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.05 177.658 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1077 ' ' ASP . . . . . 0.52 ' HA ' ' HA ' ' A' 1089 ' ' ILE . 7.0 m-20 -108.92 109.38 20.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.51 177.75 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1078 ' ' CYS . . . . . 0.655 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 32.6 t -121.34 147.86 45.12 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.873 0.368 . . . . 0.0 110.522 -177.182 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1079 ' ' GLN . . . . . 0.657 ' HA ' HG23 ' A' 1087 ' ' THR . 19.4 tt0 -124.37 141.78 51.81 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.777 0.798 . . . . 0.0 111.75 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1080 ' ' ALA . . . . . 0.489 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -76.01 139.11 41.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.339 -1.301 . . . . 0.0 111.481 -177.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -84.27 -41.47 16.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.689 176.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -119.55 -174.96 2.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.664 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -70.48 -17.92 62.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.106 0.479 . . . . 0.0 110.743 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1084 ' ' ASP . . . . . 0.516 ' HB2' ' OE2' ' A' 1085 ' ' GLU . 10.1 m-20 -72.1 -36.71 69.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.081 -174.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1085 ' ' GLU . . . . . 0.516 ' OE2' ' HB2' ' A' 1084 ' ' ASP . 5.8 mp0 -86.5 159.62 19.24 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.608 -172.358 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1086 ' ' LEU . . . . . 0.444 HD12 ' CA ' ' A' 1116 ' ' LYS . 8.8 tt -108.81 116.36 31.84 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.275 -178.684 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1087 ' ' THR . . . . . 0.657 HG23 ' HA ' ' A' 1079 ' ' GLN . 57.6 m -78.36 125.08 28.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.237 176.399 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1088 ' ' PHE . . . . . 0.739 ' HE2' ' HD2' ' A' 1120 ' ' PRO . 48.6 p90 -140.17 139.9 35.8 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.268 -178.273 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1089 ' ' ILE . . . . . 0.69 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -109.55 159.92 8.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 176.511 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -56.92 125.59 23.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 123.626 0.579 . . . . 0.0 110.407 -174.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 116.6 -13.74 15.19 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.277 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -76.44 154.21 34.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.119 0.485 . . . . 0.0 110.809 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1093 ' ' VAL . . . . . 0.544 HG22 ' HG2' ' A' 1073 ' ' LYS . 61.1 t -123.6 124.5 69.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 177.034 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1094 ' ' ILE . . . . . 0.749 HG12 HD13 ' A' 1109 ' ' ILE . 20.2 mt -115.56 132.89 63.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 120.958 0.409 . . . . 0.0 110.83 -174.421 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1095 ' ' ILE . . . . . 0.433 HD13 ' HG3' ' A' 1071 ' ' ARG . 48.0 mm -89.98 111.13 22.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 172.522 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1096 ' ' VAL . . . . . 0.643 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 48.9 t -74.47 113.74 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.671 -177.029 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 17.4 p -105.91 -8.34 17.71 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -177.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -164.61 -178.84 38.32 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.387 -0.911 . . . . 0.0 112.879 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -143.78 140.42 29.9 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1100 ' ' GLU . . . . . 0.58 ' HG2' HD11 ' A' 1106 ' ' ILE . 58.2 mm-40 -116.58 -52.47 2.56 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.603 0.716 . . . . 0.0 109.565 177.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1101 ' ' ASP . . . . . 0.728 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 19.6 t70 -122.26 174.74 6.79 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 114.523 -1.217 . . . . 0.0 108.265 178.532 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -66.2 -39.1 89.42 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-O 121.414 0.625 . . . . 0.0 109.505 175.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -105.89 12.17 30.98 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.41 -0.813 . . . . 0.0 111.169 -175.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1104 ' ' TRP . . . . . 0.728 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 71.9 m95 -141.55 107.39 5.13 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.488 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 47.1 m0 -111.58 171.13 7.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.723 0.297 . . . . 0.0 110.881 -176.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1106 ' ' ILE . . . . . 0.705 HG12 HG22 ' A' 1118 ' ' VAL . 55.4 mt -115.93 138.38 46.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.962 -178.438 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -173.47 -169.69 36.13 Favored Glycine 0 N--CA 1.441 -0.987 0 C-N-CA 119.924 -1.132 . . . . 0.0 112.593 176.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1108 ' ' HIS . . . . . 0.546 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 19.7 p-80 -142.55 148.73 38.06 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1109 ' ' ILE . . . . . 0.749 HD13 HG12 ' A' 1094 ' ' ILE . 41.2 mm -62.88 137.21 24.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.063 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -53.04 -62.5 1.62 Allowed 'General case' 0 C--N 1.322 -0.616 0 O-C-N 123.252 0.345 . . . . 0.0 111.666 -173.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -84.11 -0.01 89.5 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.49 -178.386 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -132.12 79.2 67.25 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-O 120.86 0.362 . . . . 0.0 110.303 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.91 -6.41 18.04 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 123.24 2.627 . . . . 0.0 112.79 -177.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -83.7 -21.62 32.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.148 0.499 . . . . 0.0 109.756 178.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -92.04 92.65 8.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.983 177.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1116 ' ' LYS . . . . . 0.546 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 0.0 OUTLIER -133.29 153.54 51.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.719 0.295 . . . . 0.0 110.732 178.356 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 160.42 -164.96 34.76 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1118 ' ' VAL . . . . . 0.705 HG22 HG12 ' A' 1106 ' ' ILE . 11.8 t -100.45 129.51 51.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.907 0.384 . . . . 0.0 110.624 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1119 ' ' PHE . . . . . 0.542 ' HB2' ' CE2' ' A' 1088 ' ' PHE . 27.3 p90 -127.38 147.35 61.83 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.323 -175.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1120 ' ' PRO . . . . . 0.739 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 57.7 Cg_endo -76.18 128.64 10.71 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.595 2.197 . . . . 0.0 112.62 179.371 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1121 ' ' VAL . . . . . 0.563 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 87.4 t -66.66 -18.23 23.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.513 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -25.29 68.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.875 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1123 ' ' PHE . . . . . 0.655 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.5 OUTLIER -109.35 2.49 20.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.0 0.428 . . . . 0.0 110.97 -174.566 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.576 HG12 ' HA ' ' A' 1074 ' ' THR . 10.6 m -126.85 164.41 27.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.973 0.415 . . . . 0.0 111.097 -179.346 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1125 ' ' HIS . . . . . 0.4 ' HB2' HD13 ' A' 1075 ' ' ILE . 62.1 t60 -123.11 128.47 50.14 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.937 -178.565 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1126 ' ' ILE . . . . . 0.574 ' HA ' HG12 ' A' 1072 ' ' VAL . 1.8 mp -70.07 123.97 25.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.4 -177.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1127 ' ' LEU . . . . . 0.672 HD11 ' HB2' ' A' 1073 ' ' LYS . 66.5 mt -98.41 54.29 1.07 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.447 -177.511 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 14.8 t -118.13 20.01 13.36 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 172.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 20.6 t70 . . . . . 0 C--O 1.25 1.101 0 CA-C-N 114.519 -1.219 . . . . 0.0 109.973 -175.899 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 39.5 m . . . . . 0 N--CA 1.476 0.842 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 16.9 mt -68.44 130.37 33.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.106 0.479 . . . . 0.0 110.242 176.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1580 ' ' ILE . . . . . 0.489 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.6 mp -81.92 131.54 33.58 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.479 175.163 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 6.3 t 46.59 -142.67 0.36 Allowed 'General case' 0 C--O 1.239 0.511 0 O-C-N 123.782 0.676 . . . . 0.0 112.103 174.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -106.78 152.14 24.24 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.064 -0.971 . . . . 0.0 108.764 169.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1583 ' ' MET . . . . . 0.444 ' HA ' ' CE1' ' A' 1076 ' ' TYR . 3.1 ttm -54.17 132.41 60.26 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -175.569 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1584 ' ' PRO . . . . . 0.778 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 88.9 Cg_endo -83.21 -176.12 2.68 Favored 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 123.189 2.593 . . . . 0.0 111.055 177.379 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 6.0 m -109.13 132.56 54.0 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.03 -176.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1586 ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -59.97 107.96 0.7 Allowed 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 172.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 9.2 p -67.6 -4.81 12.9 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.814 -171.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1588 ' ' SER . . . . . . . . . . . . . 68.2 m 66.8 116.88 0.03 OUTLIER 'General case' 0 CA--C 1.52 -0.206 0 O-C-N 123.848 0.718 . . . . 0.0 110.038 -173.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B 1589 ' ' ARG . . . . . 0.426 ' HD3' ' CE3' ' A' 1104 ' ' TRP . 39.4 ttp85 -66.87 104.59 1.38 Allowed 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.164 -174.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B 1590 ' ' LYS . . . . . 0.872 ' HD2' ' H ' ' B' 1590 ' ' LYS . 0.0 OUTLIER -59.49 -31.69 69.58 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.74 -176.867 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.548 178.986 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 1070 ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' 1070 ' ' ARG . 14.2 ttm180 . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1071 ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' 1071 ' ' ARG . 32.4 ttt180 -113.87 136.07 53.28 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.998 -172.421 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1072 ' ' VAL . . . . . 0.614 HG12 ' HA ' ' A' 1126 ' ' ILE . 33.1 m -127.52 152.36 35.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.056 0.455 . . . . 0.0 110.672 178.322 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1073 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.58 132.98 55.42 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.542 -0.911 . . . . 0.0 108.542 179.475 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1074 ' ' THR . . . . . 0.542 ' HA ' HG12 ' A' 1124 ' ' VAL . 61.8 p -76.08 124.89 28.13 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.174 0.512 . . . . 0.0 110.629 -176.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1075 ' ' ILE . . . . . 0.575 HG13 ' CD2' ' A' 1076 ' ' TYR . 17.4 pt -104.04 -3.49 9.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.363 0.601 . . . . 0.0 110.468 -177.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1076 ' ' TYR . . . . . 0.859 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 90.3 m-85 -139.21 172.82 12.27 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.936 178.512 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1077 ' ' ASP . . . . . 0.406 ' OD1' ' HB ' ' A' 1089 ' ' ILE . 23.2 m-20 -104.24 110.48 22.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.327 -0.852 . . . . 0.0 109.435 176.101 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1078 ' ' CYS . . . . . 0.548 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 25.1 t -122.02 152.06 40.16 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.888 0.375 . . . . 0.0 110.634 -176.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1079 ' ' GLN . . . . . 0.563 ' HA ' HG23 ' A' 1087 ' ' THR . 42.0 tt0 -134.6 144.52 47.95 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.008 178.44 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1080 ' ' ALA . . . . . . . . . . . . . . . -60.61 132.96 55.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.725 -1.125 . . . . 0.0 112.373 -175.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 18.9 t70 -79.17 -46.52 17.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.615 176.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -112.51 -170.28 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.175 -0.921 . . . . 0.0 108.822 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 17.0 t70 -74.45 -26.06 59.82 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.123 0.487 . . . . 0.0 110.73 177.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 32.1 t70 -82.3 -22.33 35.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.992 -172.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -76.43 160.54 29.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.981 0.419 . . . . 0.0 110.866 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1086 ' ' LEU . . . . . 0.49 ' HB3' ' HB3' ' A' 1119 ' ' PHE . 17.0 tp -98.14 142.44 29.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.13 -179.014 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1087 ' ' THR . . . . . 0.563 HG23 ' HA ' ' A' 1079 ' ' GLN . 91.1 m -107.49 119.07 38.39 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 172.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1088 ' ' PHE . . . . . 0.582 ' CE1' ' HD2' ' A' 1120 ' ' PRO . 21.6 p90 -141.31 137.59 32.54 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.503 -175.566 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1089 ' ' ILE . . . . . 0.701 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -106.65 157.97 6.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.416 -176.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1090 ' ' GLU . . . . . 0.657 ' HG3' HG12 ' B' 1579 ' ' ILE . 2.1 tm-20 -57.48 128.02 34.96 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 123.357 0.411 . . . . 0.0 110.241 -176.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 104.6 -1.46 42.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.771 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -89.92 161.23 16.02 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 64.4 t -126.8 128.54 71.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.945 -177.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1094 ' ' ILE . . . . . 0.537 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 19.2 mt -116.87 132.02 67.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.986 0.422 . . . . 0.0 110.486 -176.566 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 49.7 mm -90.53 114.68 28.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 172.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 39.2 t -75.68 116.93 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.864 0.364 . . . . 0.0 110.419 -176.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1097 ' ' THR . . . . . 0.466 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 21.0 p -103.45 -19.34 14.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.975 -179.172 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -162.85 -171.62 29.29 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.62 -179.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1099 ' ' GLU . . . . . 0.428 ' HA ' ' HA ' ' A' 1105 ' ' TRP . 2.3 tm-20 -156.51 135.77 12.12 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -177.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -120.83 -33.18 3.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.367 0.603 . . . . 0.0 109.949 -177.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1101 ' ' ASP . . . . . 0.822 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 10.1 t70 -127.74 168.57 14.91 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 177.406 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -64.24 -39.22 93.52 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 121.512 0.672 . . . . 0.0 109.455 176.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -113.24 18.95 17.5 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.757 -174.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1104 ' ' TRP . . . . . 0.822 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 59.8 m95 -142.24 109.15 5.45 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.785 177.153 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1105 ' ' TRP . . . . . 0.428 ' HA ' ' HA ' ' A' 1099 ' ' GLU . 45.8 m0 -112.01 165.94 11.67 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.011 0.434 . . . . 0.0 110.997 -175.413 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1106 ' ' ILE . . . . . 0.637 HG12 HG22 ' A' 1118 ' ' VAL . 55.4 mt -115.86 135.4 56.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.706 -176.026 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1107 ' ' GLY . . . . . 0.466 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -177.17 -164.51 30.99 Favored Glycine 0 N--CA 1.439 -1.117 0 C-N-CA 120.118 -1.039 . . . . 0.0 112.176 178.277 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1108 ' ' HIS . . . . . 0.492 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 14.1 p-80 -142.94 151.44 40.94 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 -178.188 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1109 ' ' ILE . . . . . 0.836 ' HB ' ' HB2' ' A' 1112 ' ' GLN . 30.0 mm -65.12 135.43 28.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.245 0.545 . . . . 0.0 109.578 178.071 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -61.27 -38.5 86.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.939 -1.028 . . . . 0.0 112.047 -174.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -98.4 -0.12 58.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.938 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1112 ' ' GLN . . . . . 0.836 ' HB2' ' HB ' ' A' 1109 ' ' ILE . 35.0 mt-30 -134.74 73.44 67.1 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -178.237 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -60.97 -32.04 92.02 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 123.056 2.504 . . . . 0.0 113.3 -170.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -80.47 -8.01 59.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.131 0.491 . . . . 0.0 110.687 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1115 ' ' ARG . . . . . 0.45 ' HD2' ' OE1' ' A' 1112 ' ' GLN . 89.6 mtt180 -94.73 90.02 5.93 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 174.262 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1116 ' ' LYS . . . . . 0.492 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 0.0 OUTLIER -126.33 156.3 40.66 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.861 179.195 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 167.56 -167.01 39.7 Favored Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1118 ' ' VAL . . . . . 0.637 HG22 HG12 ' A' 1106 ' ' ILE . 11.7 t -100.98 117.69 46.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.135 0.493 . . . . 0.0 110.454 179.475 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1119 ' ' PHE . . . . . 0.49 ' HB3' ' HB3' ' A' 1086 ' ' LEU . 22.2 p90 -110.34 142.0 25.1 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.403 -177.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1120 ' ' PRO . . . . . 0.582 ' HD2' ' CE1' ' A' 1088 ' ' PHE . 55.5 Cg_endo -74.03 129.32 13.13 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.566 2.177 . . . . 0.0 112.213 176.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1121 ' ' VAL . . . . . 0.56 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 61.1 t -66.42 -14.73 18.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.681 0.753 . . . . 0.0 109.84 177.326 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1122 ' ' SER . . . . . 0.596 ' OG ' ' HB2' ' B' 1587 ' ' SER . 1.1 m -61.22 -27.43 68.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.986 178.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1123 ' ' PHE . . . . . 0.561 ' HD1' ' HB2' ' A' 1122 ' ' SER . 0.9 OUTLIER -111.4 3.02 17.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.101 0.477 . . . . 0.0 110.931 -174.464 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.56 ' CG2' ' HA ' ' A' 1121 ' ' VAL . 17.5 m -129.09 171.97 16.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.08 0.467 . . . . 0.0 111.092 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 19.8 t60 -136.0 138.84 42.65 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1126 ' ' ILE . . . . . 0.614 ' HA ' HG12 ' A' 1072 ' ' VAL . 2.6 mp -84.26 127.65 39.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.047 0.451 . . . . 0.0 111.144 -175.066 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 9.8 mp -102.1 100.19 10.4 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.641 0.734 . . . . 0.0 110.214 177.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 12.8 p -109.87 32.1 5.34 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.289 176.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 29.7 t70 . . . . . 0 C--O 1.246 0.921 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.224 -174.879 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 75.5 m . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B 1579 ' ' ILE . . . . . 0.657 HG12 ' HG3' ' A' 1090 ' ' GLU . 12.4 mt -78.47 127.4 38.78 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.394 0 CA-C-O 121.057 0.456 . . . . 0.0 110.085 176.614 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1580 ' ' ILE . . . . . 0.4 ' O ' ' CE1' ' A' 1076 ' ' TYR . 1.7 mp -84.75 120.06 34.67 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.247 175.294 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 10.8 t 56.61 -154.75 0.33 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.476 0.655 . . . . 0.0 111.97 169.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -96.28 161.4 13.96 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 170.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1583 ' ' MET . . . . . 0.483 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 1.0 OUTLIER -55.47 134.73 70.51 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -174.655 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B 1584 ' ' PRO . . . . . 0.859 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 64.7 Cg_endo -85.04 -176.03 2.25 Favored 'Trans proline' 0 N--CA 1.451 -1.016 0 C-N-CA 123.099 2.532 . . . . 0.0 110.935 177.065 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 10.9 m -104.76 136.46 44.23 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -178.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1586 ' ' LYS . . . . . 0.411 ' HB2' ' HE3' ' B' 1586 ' ' LYS . 20.7 ttmt -50.64 115.24 1.39 Allowed 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 172.265 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1587 ' ' SER . . . . . 0.596 ' HB2' ' OG ' ' A' 1122 ' ' SER . 24.2 t -58.93 -16.16 16.41 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 123.713 0.633 . . . . 0.0 112.365 -171.062 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1588 ' ' SER . . . . . . . . . . . . . 66.8 m 62.7 95.88 0.04 OUTLIER 'General case' 0 C--O 1.232 0.134 0 CA-C-O 121.311 0.577 . . . . 0.0 110.029 -175.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B 1589 ' ' ARG . . . . . 0.409 HH11 ' HD3' ' B' 1589 ' ' ARG . 11.5 ttp180 -57.9 124.94 20.95 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.372 -174.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B 1590 ' ' LYS . . . . . 0.683 ' HD2' ' H ' ' B' 1590 ' ' LYS . 0.0 OUTLIER -74.8 -6.55 49.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.684 0.754 . . . . 0.0 109.421 -177.462 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.515 170.792 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 1070 ' ' ARG . . . . . 0.541 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 38.7 ttm180 . . . . . 0 N--CA 1.455 -0.184 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1071 ' ' ARG . . . . . 0.443 HH11 ' HD2' ' A' 1071 ' ' ARG . 41.9 ttm105 -137.53 130.34 30.15 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.864 0.364 . . . . 0.0 111.055 -178.411 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1072 ' ' VAL . . . . . 0.564 HG12 ' HA ' ' A' 1126 ' ' ILE . 33.4 m -118.4 152.99 20.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.272 176.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1073 ' ' LYS . . . . . 0.425 ' HB2' HD22 ' A' 1127 ' ' LEU . 0.1 OUTLIER -118.33 133.07 56.2 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.054 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1074 ' ' THR . . . . . 0.567 ' HA ' HG12 ' A' 1124 ' ' VAL . 66.0 p -76.32 125.47 29.24 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 -175.015 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1075 ' ' ILE . . . . . 0.475 ' O ' ' HA ' ' B' 1579 ' ' ILE . 15.4 pt -100.73 -1.26 9.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.772 0.796 . . . . 0.0 109.582 179.272 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1076 ' ' TYR . . . . . 0.757 ' CE1' ' HA ' ' B' 1583 ' ' MET . 26.1 m-85 -144.97 175.72 10.01 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.02 -1.446 . . . . 0.0 110.262 -179.156 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1077 ' ' ASP . . . . . 0.476 ' HB2' HG22 ' A' 1089 ' ' ILE . 2.0 p-10 -118.48 125.72 50.5 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 175.078 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1078 ' ' CYS . . . . . 0.666 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 49.0 t -133.39 145.31 50.21 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.379 -175.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1079 ' ' GLN . . . . . 0.626 ' HA ' HG23 ' A' 1087 ' ' THR . 44.4 tt0 -122.48 144.93 48.76 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.192 -177.439 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1080 ' ' ALA . . . . . 0.428 ' HA ' ' HB3' ' A' 1085 ' ' GLU . . . -45.29 128.41 7.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.397 -1.274 . . . . 0.0 113.21 -173.042 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 29.5 t70 -74.93 -50.99 14.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.269 -1.332 . . . . 0.0 109.136 174.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -129.89 -168.24 1.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.602 171.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 38.7 t70 -62.24 -33.19 74.11 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -177.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 16.0 t70 -83.8 -11.07 57.58 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 120.935 0.397 . . . . 0.0 111.966 -173.165 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1085 ' ' GLU . . . . . 0.428 ' HB3' ' HA ' ' A' 1080 ' ' ALA . 10.4 mp0 -79.35 152.76 30.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.226 0.536 . . . . 0.0 111.311 178.197 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1086 ' ' LEU . . . . . 0.444 HD12 ' C ' ' A' 1116 ' ' LYS . 6.8 tt -107.57 124.08 49.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.951 -178.661 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1087 ' ' THR . . . . . 0.626 HG23 ' HA ' ' A' 1079 ' ' GLN . 60.3 m -85.05 128.52 34.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.763 176.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1088 ' ' PHE . . . . . 0.619 ' HE2' ' HD2' ' A' 1120 ' ' PRO . 13.6 p90 -137.99 158.31 44.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.119 178.74 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1089 ' ' ILE . . . . . 0.517 HD12 ' HB2' ' A' 1092 ' ' GLU . 1.7 pp -123.0 153.68 28.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.388 178.177 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1090 ' ' GLU . . . . . 0.67 ' HG3' HG12 ' B' 1579 ' ' ILE . 2.4 tm-20 -56.12 123.87 15.93 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 123.257 0.348 . . . . 0.0 110.197 -177.077 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 107.18 -1.51 35.19 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.882 -178.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1092 ' ' GLU . . . . . 0.517 ' HB2' HD12 ' A' 1089 ' ' ILE . 3.2 tp10 -84.92 160.1 20.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.024 0.44 . . . . 0.0 110.063 178.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 98.4 t -126.04 118.16 50.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.146 -176.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1094 ' ' ILE . . . . . 0.572 HG12 HD13 ' A' 1109 ' ' ILE . 17.4 mt -112.06 128.15 68.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.181 0.515 . . . . 0.0 110.93 -175.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1095 ' ' ILE . . . . . 0.4 HD11 ' OE2' ' A' 1110 ' ' GLU . 43.4 mm -87.93 115.04 27.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 172.752 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1096 ' ' VAL . . . . . 0.541 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 17.8 t -82.32 128.96 38.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 -175.349 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 14.2 p -106.16 -20.33 13.44 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.297 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -172.77 -171.4 37.51 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.494 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -135.13 157.24 47.42 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 179.165 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1100 ' ' GLU . . . . . 0.462 ' CD ' HH21 ' B' 1589 ' ' ARG . 31.5 tt0 -131.1 -36.6 1.31 Allowed 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.737 0.78 . . . . 0.0 109.035 173.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1101 ' ' ASP . . . . . 0.656 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 29.3 t70 -128.71 171.17 12.46 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 173.037 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -69.57 -30.87 68.75 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 121.676 0.751 . . . . 0.0 109.457 175.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -110.32 5.08 21.35 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.96 -174.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1104 ' ' TRP . . . . . 0.656 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 78.3 m95 -137.29 106.09 5.91 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.478 177.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1105 ' ' TRP . . . . . 0.44 ' CZ3' ' HD3' ' A' 1070 ' ' ARG . 44.6 m0 -106.67 166.62 10.44 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.04 -177.341 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1106 ' ' ILE . . . . . 0.795 HG12 HG22 ' A' 1118 ' ' VAL . 36.6 mt -116.77 135.26 57.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.171 -175.18 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -177.88 -165.12 32.31 Favored Glycine 0 N--CA 1.442 -0.959 0 C-N-CA 119.913 -1.137 . . . . 0.0 112.867 177.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1108 ' ' HIS . . . . . 0.548 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 10.8 p-80 -145.52 148.55 33.34 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -178.098 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1109 ' ' ILE . . . . . 0.616 ' HB ' ' HB2' ' A' 1112 ' ' GLN . 36.3 mm -63.5 134.8 28.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.135 -179.117 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1110 ' ' GLU . . . . . 0.4 ' OE2' HD11 ' A' 1095 ' ' ILE . 37.3 tt0 -56.82 -57.01 14.35 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 -171.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -82.81 -9.69 84.16 Favored Glycine 0 CA--C 1.517 0.214 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.61 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1112 ' ' GLN . . . . . 0.616 ' HB2' ' HB ' ' A' 1109 ' ' ILE . 18.9 mp0 -121.1 74.86 29.08 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -63.85 -26.27 67.42 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 123.101 2.534 . . . . 0.0 113.603 -169.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -83.1 -6.59 59.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.811 0.339 . . . . 0.0 111.261 -177.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 74.0 mtt-85 -94.5 91.71 6.75 Favored 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 174.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1116 ' ' LYS . . . . . 0.548 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 0.2 OUTLIER -131.3 161.56 32.05 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.698 -178.618 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 156.85 -160.83 30.63 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -177.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1118 ' ' VAL . . . . . 0.795 HG22 HG12 ' A' 1106 ' ' ILE . 39.8 t -106.61 133.12 52.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.896 0.379 . . . . 0.0 110.401 178.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1119 ' ' PHE . . . . . 0.585 ' HB2' ' HE2' ' A' 1088 ' ' PHE . 26.7 p90 -128.84 149.42 72.24 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.392 -175.485 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1120 ' ' PRO . . . . . 0.619 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 85.1 Cg_endo -80.61 127.93 6.64 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.692 2.261 . . . . 0.0 112.97 -178.361 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1121 ' ' VAL . . . . . 0.592 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 59.8 t -65.93 -15.87 19.61 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.25 177.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1122 ' ' SER . . . . . 0.587 ' HB2' ' HD1' ' A' 1123 ' ' PHE . 1.1 m -60.85 -31.32 70.77 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.021 179.235 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1123 ' ' PHE . . . . . 0.666 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.4 OUTLIER -108.4 4.6 24.56 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 121.057 0.456 . . . . 0.0 110.402 -174.407 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.592 ' CG2' ' HA ' ' A' 1121 ' ' VAL . 27.1 m -130.57 174.46 12.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.038 0.447 . . . . 0.0 111.684 -177.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -137.7 142.97 41.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.374 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1126 ' ' ILE . . . . . 0.564 ' HA ' HG12 ' A' 1072 ' ' VAL . 1.9 mp -83.32 123.5 38.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.708 -177.469 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1127 ' ' LEU . . . . . 0.425 HD22 ' HB2' ' A' 1073 ' ' LYS . 11.1 mp -109.73 -72.56 0.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.044 178.328 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 46.0 m 50.45 41.74 25.41 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.756 -175.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 C--O 1.248 1.004 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.045 -179.734 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 76.0 m . . . . . 0 N--CA 1.476 0.872 0 CA-C-O 120.911 0.386 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B 1579 ' ' ILE . . . . . 0.67 HG12 ' HG3' ' A' 1090 ' ' GLU . 59.5 mt -78.34 132.41 32.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.569 178.628 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1580 ' ' ILE . . . . . 0.528 ' O ' HG22 ' B' 1580 ' ' ILE . 1.6 mp -89.67 102.19 12.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.046 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 16.4 m 75.41 -148.54 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.59 0.756 . . . . 0.0 111.401 -176.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -117.81 151.73 36.75 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 177.174 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1583 ' ' MET . . . . . 0.757 ' HA ' ' CE1' ' A' 1076 ' ' TYR . 29.0 ttm -41.13 126.41 2.09 Favored Pre-proline 0 N--CA 1.472 0.663 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -165.367 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1584 ' ' PRO . . . . . 0.666 ' HD3' ' CZ ' ' A' 1076 ' ' TYR . 73.0 Cg_endo -80.46 -175.81 2.88 Favored 'Trans proline' 0 N--CA 1.445 -1.375 0 C-N-CA 123.174 2.582 . . . . 0.0 110.309 177.458 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 34.4 m -109.77 138.04 46.71 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -176.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1586 ' ' LYS . . . . . 0.414 ' C ' ' H ' ' B' 1588 ' ' SER . 22.8 ttmt -59.59 102.38 0.14 Allowed 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 174.056 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 23.4 t -70.04 5.7 1.52 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.948 -170.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B 1588 ' ' SER . . . . . 0.414 ' H ' ' C ' ' B' 1586 ' ' LYS . 22.6 t 67.83 140.63 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 122.069 0.938 . . . . 0.0 110.591 -177.223 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1589 ' ' ARG . . . . . 0.462 HH21 ' CD ' ' A' 1100 ' ' GLU . 44.7 ttt180 -87.53 107.12 18.43 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 115.161 -0.927 . . . . 0.0 108.766 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1590 ' ' LYS . . . . . 0.506 ' HD2' ' H ' ' B' 1590 ' ' LYS . 5.9 mptt -69.88 -9.65 55.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.239 -168.521 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.586 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.192 177.913 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 1070 ' ' ARG . . . . . 0.459 ' HD3' ' CZ3' ' A' 1105 ' ' TRP . 42.8 ttm180 . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.901 0.381 . . . . 0.0 110.225 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -137.26 144.74 42.88 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.596 -177.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1072 ' ' VAL . . . . . 0.562 HG12 ' HA ' ' A' 1126 ' ' ILE . 28.9 m -128.1 155.0 39.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.173 175.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1073 ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' 1074 ' ' THR . 0.6 OUTLIER -118.59 132.53 56.2 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 175.743 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1074 ' ' THR . . . . . 0.597 ' HA ' HG12 ' A' 1124 ' ' VAL . 65.4 p -71.93 118.52 14.88 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.165 0.507 . . . . 0.0 110.504 -177.226 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1075 ' ' ILE . . . . . 0.546 HG13 ' CD2' ' A' 1076 ' ' TYR . 19.6 pt -97.49 -9.14 9.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.145 -177.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1076 ' ' TYR . . . . . 0.803 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 96.8 m-85 -138.49 175.79 9.26 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.825 177.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1077 ' ' ASP . . . . . 0.507 ' HA ' ' HA ' ' A' 1089 ' ' ILE . 8.0 m-20 -103.75 119.44 38.91 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.922 -1.035 . . . . 0.0 108.564 173.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1078 ' ' CYS . . . . . 0.671 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 52.1 t -129.07 137.15 51.1 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.832 0.349 . . . . 0.0 110.671 -178.101 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1079 ' ' GLN . . . . . 0.608 ' HA ' HG23 ' A' 1087 ' ' THR . 50.7 tt0 -117.88 142.87 46.85 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.568 0.699 . . . . 0.0 111.101 176.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1080 ' ' ALA . . . . . 0.774 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -88.97 166.76 13.7 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.366 -1.288 . . . . 0.0 111.846 -174.656 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -104.73 -33.26 8.52 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.195 173.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -111.22 146.04 37.65 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.279 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 35.7 t70 -63.14 -19.18 64.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.192 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 19.0 t70 -74.07 -23.73 59.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.255 0.55 . . . . 0.0 110.532 177.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1085 ' ' GLU . . . . . 0.774 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 41.6 mt-10 -90.11 156.64 18.22 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.044 -177.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1086 ' ' LEU . . . . . 0.559 ' HB3' ' HB3' ' A' 1119 ' ' PHE . 11.7 tp -97.3 122.07 39.92 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.82 0.343 . . . . 0.0 111.836 -172.511 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1087 ' ' THR . . . . . 0.608 HG23 ' HA ' ' A' 1079 ' ' GLN . 98.5 m -94.66 119.46 33.33 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 171.277 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1088 ' ' PHE . . . . . 0.676 ' HE2' ' HD2' ' A' 1120 ' ' PRO . 17.0 p90 -136.69 158.89 43.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.82 -175.522 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1089 ' ' ILE . . . . . 0.664 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -122.97 157.32 28.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 176.928 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -55.71 123.69 14.97 Favored 'General case' 0 C--O 1.237 0.413 0 O-C-N 123.457 0.473 . . . . 0.0 110.324 -176.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 116.65 -6.3 18.37 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.457 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1092 ' ' GLU . . . . . 0.419 ' HG2' HD13 ' A' 1089 ' ' ILE . 18.9 mm-40 -84.21 154.32 23.11 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.297 0.57 . . . . 0.0 111.295 177.654 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 97.5 t -121.46 116.92 51.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.849 -177.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1094 ' ' ILE . . . . . 0.591 HG12 HD13 ' A' 1109 ' ' ILE . 9.6 mt -111.04 128.83 67.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.902 0.382 . . . . 0.0 110.822 -174.052 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 42.5 mm -88.2 120.35 37.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 172.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 43.4 t -80.66 116.8 25.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 120.971 0.415 . . . . 0.0 110.389 -176.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1097 ' ' THR . . . . . 0.503 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 21.5 p -103.33 -17.06 15.45 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.01 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -163.51 -171.82 30.22 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.785 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -157.29 137.53 12.75 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 -176.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1100 ' ' GLU . . . . . 0.402 ' CD ' HH21 ' B' 1589 ' ' ARG . 34.9 tt0 -125.81 -36.48 2.39 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.595 0.712 . . . . 0.0 109.627 -177.232 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1101 ' ' ASP . . . . . 0.715 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 20.7 t70 -123.88 168.32 12.93 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 173.361 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -71.01 -27.96 64.06 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 122.038 0.923 . . . . 0.0 108.635 177.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -113.83 9.25 17.57 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 113.882 -1.508 . . . . 0.0 110.969 -175.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1104 ' ' TRP . . . . . 0.715 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 71.3 m95 -140.12 106.64 5.32 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-O 121.289 0.566 . . . . 0.0 110.366 176.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1105 ' ' TRP . . . . . 0.459 ' CZ3' ' HD3' ' A' 1070 ' ' ARG . 45.8 m0 -108.16 164.64 12.13 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.906 -176.101 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1106 ' ' ILE . . . . . 0.636 HG12 HG22 ' A' 1118 ' ' VAL . 46.2 mt -116.27 137.65 49.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.052 -177.068 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1107 ' ' GLY . . . . . 0.503 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -177.06 -159.62 22.63 Favored Glycine 0 N--CA 1.435 -1.381 0 C-N-CA 120.287 -0.958 . . . . 0.0 112.157 177.139 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -148.08 150.71 34.38 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1109 ' ' ILE . . . . . 0.96 ' HB ' ' HB2' ' A' 1112 ' ' GLN . 32.5 mm -65.8 132.95 31.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.659 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -55.02 -51.19 67.06 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -169.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -90.37 2.06 80.36 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.415 -179.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1112 ' ' GLN . . . . . 0.96 ' HB2' ' HB ' ' A' 1109 ' ' ILE . 40.7 mt-30 -126.45 72.33 72.78 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -64.94 -26.84 58.68 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.841 2.36 . . . . 0.0 113.303 -169.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -79.05 -15.68 57.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.779 0.323 . . . . 0.0 110.995 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1115 ' ' ARG . . . . . 0.554 ' HD2' ' OE1' ' A' 1112 ' ' GLN . 99.5 mtt180 -93.69 89.66 6.29 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 177.667 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1116 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.52 170.25 9.86 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.491 176.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 154.73 -171.82 33.12 Favored Glycine 0 N--CA 1.441 -1.003 0 C-N-CA 120.646 -0.788 . . . . 0.0 111.948 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1118 ' ' VAL . . . . . 0.636 HG22 HG12 ' A' 1106 ' ' ILE . 12.9 t -100.9 117.27 45.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.063 0.459 . . . . 0.0 110.367 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1119 ' ' PHE . . . . . 0.559 ' HB3' ' HB3' ' A' 1086 ' ' LEU . 19.6 p90 -109.88 143.41 27.86 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.51 -176.493 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1120 ' ' PRO . . . . . 0.676 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 71.3 Cg_endo -77.57 127.14 8.69 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 122.603 2.202 . . . . 0.0 112.455 178.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1121 ' ' VAL . . . . . 0.597 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 61.6 t -66.12 -15.97 19.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.175 178.389 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1122 ' ' SER . . . . . 0.501 ' HB2' ' HD1' ' A' 1123 ' ' PHE . 3.0 m -61.8 -25.99 67.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.677 178.26 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1123 ' ' PHE . . . . . 0.671 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.8 OUTLIER -115.11 4.56 14.66 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.066 0.46 . . . . 0.0 110.869 -175.216 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.597 ' CG2' ' HA ' ' A' 1121 ' ' VAL . 20.5 m -131.2 160.72 42.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.764 -178.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 19.4 t60 -128.48 136.96 51.53 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1126 ' ' ILE . . . . . 0.562 ' HA ' HG12 ' A' 1072 ' ' VAL . 2.1 mp -75.2 124.47 33.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.021 -175.749 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 2.8 mp -89.22 -26.2 21.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.786 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 12.3 m -72.84 74.49 1.14 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.251 176.086 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 29.8 t70 . . . . . 0 C--O 1.247 0.923 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.892 -175.23 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 39.9 m . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 21.6 mt -68.34 126.38 28.08 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.405 0 CA-C-O 120.946 0.403 . . . . 0.0 110.14 176.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1580 ' ' ILE . . . . . 0.42 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.7 mp -78.23 114.03 18.28 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 174.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 75.7 m 55.62 -152.82 0.35 Allowed 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 170.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -91.3 158.32 16.63 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.848 173.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1583 ' ' MET . . . . . 0.627 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 2.1 ttm -59.84 137.83 90.36 Favored Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -174.219 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1584 ' ' PRO . . . . . 0.803 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 53.6 Cg_endo -88.69 -175.61 1.28 Allowed 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 123.592 2.861 . . . . 0.0 111.071 177.386 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 19.8 m -115.56 137.54 51.97 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -177.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1586 ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -55.05 103.53 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 172.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 24.4 t -77.75 24.9 0.21 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.931 -169.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1588 ' ' SER . . . . . . . . . . . . . 44.2 m 63.27 125.88 0.01 OUTLIER 'General case' 0 C--O 1.233 0.215 0 CA-C-O 122.072 0.939 . . . . 0.0 112.301 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B 1589 ' ' ARG . . . . . 0.605 HH11 ' HG2' ' A' 1085 ' ' GLU . 63.3 ttt180 -78.01 107.77 10.8 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 174.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1590 ' ' LYS . . . . . 0.409 ' HB2' ' OD1' ' A' 1101 ' ' ASP . 35.2 mttp -77.99 -12.56 60.0 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.999 -168.098 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.773 177.791 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 34.1 ttp180 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 121.253 0.549 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 1071 ' ' ARG . . . . . 0.605 ' HG2' HD13 ' A' 1095 ' ' ILE . 85.2 mtm180 -116.21 171.26 7.93 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.855 176.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1072 ' ' VAL . . . . . 0.633 HG12 ' HA ' ' A' 1126 ' ' ILE . 17.8 m -140.62 142.68 30.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 171.201 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1073 ' ' LYS . . . . . 0.756 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.2 OUTLIER -109.56 131.23 55.26 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.603 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1074 ' ' THR . . . . . 0.689 ' HA ' HG12 ' A' 1124 ' ' VAL . 64.8 p -73.32 111.74 8.73 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.638 0.732 . . . . 0.0 110.082 -178.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1075 ' ' ILE . . . . . 0.605 HG13 ' CD2' ' A' 1076 ' ' TYR . 13.6 pt -93.69 -6.72 10.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.444 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1076 ' ' TYR . . . . . 0.749 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 96.0 m-85 -138.06 174.13 10.89 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 113.918 -1.492 . . . . 0.0 110.126 176.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1077 ' ' ASP . . . . . 0.495 ' HB2' HG22 ' A' 1089 ' ' ILE . 6.9 p-10 -107.1 129.49 54.82 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.121 172.531 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1078 ' ' CYS . . . . . 0.795 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 45.6 t -138.98 140.16 38.13 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 121.054 0.454 . . . . 0.0 110.517 -178.176 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1079 ' ' GLN . . . . . 0.645 ' HA ' HG23 ' A' 1087 ' ' THR . 2.0 mp0 -108.43 175.92 5.3 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.339 178.244 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1080 ' ' ALA . . . . . 0.512 ' HA ' ' HG2' ' A' 1085 ' ' GLU . . . -44.25 142.79 1.39 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 113.938 -1.483 . . . . 0.0 114.634 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 26.2 t0 -110.03 -19.26 13.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.44 170.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1082 ' ' ASN . . . . . 0.404 ' O ' ' HG3' ' A' 1085 ' ' GLU . 3.5 t-20 -159.43 -166.84 1.88 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.418 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 18.4 t70 -69.22 -39.51 78.53 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.892 0.377 . . . . 0.0 111.551 -177.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 28.3 p-10 -103.63 77.4 1.48 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.645 0.736 . . . . 0.0 111.242 -174.199 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1085 ' ' GLU . . . . . 0.512 ' HG2' ' HA ' ' A' 1080 ' ' ALA . 0.0 OUTLIER -134.76 -173.92 3.44 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.43 0.633 . . . . 0.0 112.085 -178.202 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1086 ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' 1116 ' ' LYS . 5.9 tt -131.82 104.92 7.15 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.059 -0.973 . . . . 0.0 108.986 172.236 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1087 ' ' THR . . . . . 0.645 HG23 ' HA ' ' A' 1079 ' ' GLN . 29.9 m -79.91 133.99 36.26 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.846 178.08 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1088 ' ' PHE . . . . . 0.651 ' HE2' ' HB2' ' A' 1119 ' ' PHE . 7.4 p90 -145.82 164.01 33.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.381 0.61 . . . . 0.0 111.954 -174.183 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1089 ' ' ILE . . . . . 0.589 HD12 ' HG2' ' A' 1092 ' ' GLU . 1.8 pp -129.38 161.75 38.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.333 -0.848 . . . . 0.0 110.077 176.197 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -55.1 124.28 16.35 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.546 0.529 . . . . 0.0 110.567 -178.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 116.7 -13.67 14.95 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.209 178.046 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1092 ' ' GLU . . . . . 0.589 ' HG2' HD12 ' A' 1089 ' ' ILE . 62.9 mm-40 -73.75 152.06 40.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.364 0.602 . . . . 0.0 110.975 177.062 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1093 ' ' VAL . . . . . 0.529 HG22 ' HG2' ' A' 1073 ' ' LYS . 58.5 t -127.34 125.64 66.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.575 179.259 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1094 ' ' ILE . . . . . 0.664 HG12 HD13 ' A' 1109 ' ' ILE . 18.4 mt -119.08 136.34 56.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.151 0.5 . . . . 0.0 112.115 -171.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1095 ' ' ILE . . . . . 0.605 HD13 ' HG2' ' A' 1071 ' ' ARG . 16.6 mm -84.81 116.6 28.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 170.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 27.5 t -77.97 110.04 13.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1097 ' ' THR . . . . . 0.576 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 17.1 p -100.3 -16.27 17.75 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.312 -177.691 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -167.43 -175.37 37.32 Favored Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 120.362 -0.923 . . . . 0.0 112.872 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1099 ' ' GLU . . . . . 0.417 ' HG3' ' CD1' ' A' 1105 ' ' TRP . 16.7 tt0 -143.48 144.63 32.07 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -122.91 -50.61 1.93 Allowed 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 176.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1101 ' ' ASP . . . . . 0.776 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 23.7 t70 -117.5 168.69 10.15 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 176.185 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -59.34 -41.01 88.2 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 121.327 0.584 . . . . 0.0 109.967 177.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -111.06 16.04 21.34 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.649 -173.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1104 ' ' TRP . . . . . 0.776 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 75.9 m95 -140.36 104.5 4.8 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.284 0.564 . . . . 0.0 110.55 177.214 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1105 ' ' TRP . . . . . 0.417 ' CD1' ' HG3' ' A' 1099 ' ' GLU . 45.2 m0 -107.56 166.74 10.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.517 -177.178 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 53.9 mt -116.36 137.5 49.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.834 -174.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1107 ' ' GLY . . . . . 0.576 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -176.72 -166.62 34.08 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 119.418 -1.372 . . . . 0.0 113.494 177.642 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1108 ' ' HIS . . . . . 0.603 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 16.3 p-80 -143.02 149.49 38.34 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1109 ' ' ILE . . . . . 0.664 HD13 HG12 ' A' 1094 ' ' ILE . 50.9 mm -58.01 138.38 19.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 123.202 0.314 . . . . 0.0 110.305 -179.025 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1110 ' ' GLU . . . . . 0.508 ' HA ' HG12 ' A' 1095 ' ' ILE . 16.1 tt0 -48.2 -56.48 7.82 Favored 'General case' 0 N--CA 1.463 0.201 0 O-C-N 123.619 0.575 . . . . 0.0 111.695 -171.388 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -102.14 25.68 26.93 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.354 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1112 ' ' GLN . . . . . 0.471 ' HB3' ' HB ' ' A' 1109 ' ' ILE . 0.4 OUTLIER -147.72 81.59 8.39 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.096 0.474 . . . . 0.0 110.049 -178.828 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -70.62 -7.62 21.74 Favored 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 123.519 2.812 . . . . 0.0 112.967 -177.04 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -87.26 -19.06 28.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.355 0.598 . . . . 0.0 109.878 178.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1115 ' ' ARG . . . . . 0.426 ' O ' ' HA ' ' A' 1108 ' ' HIS . 97.2 mtt180 -93.06 95.15 9.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.024 174.529 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1116 ' ' LYS . . . . . 0.603 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 0.0 OUTLIER -141.86 145.46 34.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.129 0.49 . . . . 0.0 112.063 -179.338 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1117 ' ' GLY . . . . . 0.424 ' HA3' ' O ' ' A' 1085 ' ' GLU . . . 168.41 -161.99 35.74 Favored Glycine 0 N--CA 1.446 -0.641 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.483 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1118 ' ' VAL . . . . . 0.483 ' H ' ' HA ' ' A' 1085 ' ' GLU . 2.6 t -99.34 129.21 50.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1119 ' ' PHE . . . . . 0.651 ' HB2' ' HE2' ' A' 1088 ' ' PHE . 22.9 p90 -126.09 146.79 57.02 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.987 -177.608 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1120 ' ' PRO . . . . . 0.533 ' HG3' ' SG ' ' A' 1078 ' ' CYS . 72.3 Cg_endo -78.67 128.29 8.51 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.52 2.146 . . . . 0.0 112.342 -179.382 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1121 ' ' VAL . . . . . 0.588 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 57.7 t -66.5 -16.69 21.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.215 179.118 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1122 ' ' SER . . . . . 0.428 ' HB2' ' CD1' ' A' 1123 ' ' PHE . 0.0 OUTLIER -63.36 -27.37 69.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.757 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1123 ' ' PHE . . . . . 0.795 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.5 OUTLIER -109.77 3.9 21.27 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.289 0.566 . . . . 0.0 110.72 -174.717 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.689 HG12 ' HA ' ' A' 1074 ' ' THR . 12.4 m -129.12 169.41 20.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.505 -179.449 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 72.2 t60 -132.57 135.42 45.92 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1126 ' ' ILE . . . . . 0.633 ' HA ' HG12 ' A' 1072 ' ' VAL . 1.9 mp -76.66 134.57 28.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.427 0.632 . . . . 0.0 111.988 -173.033 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1127 ' ' LEU . . . . . 0.756 HD11 ' HB2' ' A' 1073 ' ' LYS . 33.9 mt -126.28 86.92 2.59 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.893 -1.049 . . . . 0.0 109.647 178.692 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 20.1 m -85.95 0.95 51.91 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.951 0.881 . . . . 0.0 109.657 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 C--O 1.249 1.03 0 CA-C-N 114.086 -1.415 . . . . 0.0 108.769 175.903 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 57.8 m . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 6.8 mt -67.18 125.94 25.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.128 0.489 . . . . 0.0 110.061 174.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1580 ' ' ILE . . . . . 0.439 HG22 ' OH ' ' A' 1076 ' ' TYR . 1.6 mp -76.68 132.76 32.33 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.198 175.409 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 6.2 t 44.55 -138.59 0.39 Allowed 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 121.497 0.665 . . . . 0.0 112.717 172.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -111.87 152.05 28.4 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.822 171.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1583 ' ' MET . . . . . 0.455 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 3.6 ttm -50.83 133.43 28.51 Favored Pre-proline 0 C--N 1.328 -0.339 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 -173.492 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1584 ' ' PRO . . . . . 0.749 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 95.2 Cg_endo -83.49 -176.04 2.58 Favored 'Trans proline' 0 N--CA 1.449 -1.134 0 C-N-CA 123.295 2.664 . . . . 0.0 110.413 175.232 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 7.5 m -105.71 128.25 53.56 Favored 'General case' 0 C--N 1.308 -1.198 0 C-N-CA 120.692 -0.403 . . . . 0.0 109.935 -177.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1586 ' ' LYS . . . . . 0.426 ' C ' ' H ' ' B' 1588 ' ' SER . 4.0 tmmt? -63.43 97.12 0.13 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 170.057 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 13.3 m -72.42 21.0 0.07 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.286 -0.87 . . . . 0.0 113.133 -166.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1588 ' ' SER . . . . . 0.426 ' H ' ' C ' ' B' 1586 ' ' LYS . 17.3 m 65.08 125.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 123.854 0.721 . . . . 0.0 111.046 -178.673 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1589 ' ' ARG . . . . . 0.416 ' HB2' ' CE2' ' A' 1104 ' ' TRP . 16.4 ttt180 -73.31 105.54 4.75 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.558 0.694 . . . . 0.0 109.442 176.343 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B 1590 ' ' LYS . . . . . . . . . . . . . 33.0 mttm -76.53 -6.96 54.11 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.327 -1.306 . . . . 0.0 111.665 -165.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.831 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.731 177.403 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 1070 ' ' ARG . . . . . 0.544 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 26.9 ttm180 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1071 ' ' ARG . . . . . 0.47 ' HG2' HD13 ' A' 1095 ' ' ILE . 65.8 mtt85 -113.29 150.0 33.11 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.935 0.398 . . . . 0.0 111.303 178.349 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1072 ' ' VAL . . . . . 0.6 HG12 ' HA ' ' A' 1126 ' ' ILE . 29.1 m -135.08 136.85 51.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.272 169.518 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1073 ' ' LYS . . . . . 0.752 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.1 OUTLIER -105.25 134.85 47.68 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 178.138 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1074 ' ' THR . . . . . 0.588 ' HA ' HG12 ' A' 1124 ' ' VAL . 70.5 p -75.51 118.5 18.44 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 121.231 0.539 . . . . 0.0 110.266 -177.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1075 ' ' ILE . . . . . 0.624 HG13 ' CD2' ' A' 1076 ' ' TYR . 21.4 pt -98.14 -7.73 9.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.967 0.889 . . . . 0.0 109.291 179.414 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1076 ' ' TYR . . . . . 0.772 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 96.6 m-85 -136.93 176.41 8.73 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 113.721 -1.581 . . . . 0.0 109.278 176.427 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -115.26 131.19 57.01 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 173.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1078 ' ' CYS . . . . . 0.756 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 36.7 t -139.12 147.92 42.57 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.794 -175.088 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1079 ' ' GLN . . . . . 0.553 ' HG2' HG23 ' A' 1087 ' ' THR . 83.6 mt-30 -119.74 155.75 31.87 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.469 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1080 ' ' ALA . . . . . . . . . . . . . . . -59.97 128.57 37.53 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 114.588 -1.187 . . . . 0.0 112.238 -173.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1081 ' ' ASP . . . . . 0.413 ' H ' ' HG3' ' A' 1085 ' ' GLU . 36.8 t70 -77.51 -23.59 50.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.013 177.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1082 ' ' ASN . . . . . 0.408 ' H ' ' HG2' ' A' 1085 ' ' GLU . 53.5 t30 -150.58 -174.96 4.92 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.777 -1.101 . . . . 0.0 108.976 -173.687 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -69.09 -38.98 79.28 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -175.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -94.32 17.23 13.21 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -171.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1085 ' ' GLU . . . . . 0.413 ' HG3' ' H ' ' A' 1081 ' ' ASP . 11.0 mm-40 -89.54 -173.7 4.06 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 176.646 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1086 ' ' LEU . . . . . 0.444 HD12 ' CA ' ' A' 1116 ' ' LYS . 8.0 tt -132.56 118.41 19.19 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.072 0.463 . . . . 0.0 110.702 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1087 ' ' THR . . . . . 0.553 HG23 ' HG2' ' A' 1079 ' ' GLN . 96.7 m -81.62 136.75 35.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.453 177.102 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1088 ' ' PHE . . . . . 0.616 ' HE2' ' HB2' ' A' 1119 ' ' PHE . 20.8 p90 -147.67 154.75 41.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.617 0.246 . . . . 0.0 110.953 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1089 ' ' ILE . . . . . 0.66 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -121.64 154.49 25.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 179.644 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1090 ' ' GLU . . . . . 0.515 ' HG3' HG12 ' B' 1579 ' ' ILE . 2.2 tm-20 -54.96 124.64 17.37 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.348 0.405 . . . . 0.0 110.816 -177.232 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 108.55 -1.06 32.46 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.727 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1092 ' ' GLU . . . . . 0.536 ' HG3' HD12 ' A' 1109 ' ' ILE . 5.5 tp10 -93.17 161.4 14.44 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.938 0.399 . . . . 0.0 110.07 -178.411 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1093 ' ' VAL . . . . . 0.429 HG22 ' HG2' ' A' 1073 ' ' LYS . 69.6 t -127.1 126.44 68.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.819 -175.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1094 ' ' ILE . . . . . 0.542 HG12 HD13 ' A' 1109 ' ' ILE . 13.8 mt -116.51 131.39 69.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.001 0.429 . . . . 0.0 110.831 -177.393 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1095 ' ' ILE . . . . . 0.47 HD13 ' HG2' ' A' 1071 ' ' ARG . 43.9 mm -89.4 113.11 25.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 174.077 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1096 ' ' VAL . . . . . 0.544 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 42.9 t -77.14 110.95 13.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.085 0.469 . . . . 0.0 110.612 -177.193 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1097 ' ' THR . . . . . 0.469 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 11.1 p -101.59 -13.28 17.91 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.124 -177.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -166.7 -176.25 37.59 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.529 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -146.05 148.74 32.99 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 -179.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -130.03 -45.16 1.15 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.458 0.647 . . . . 0.0 109.421 175.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1101 ' ' ASP . . . . . 0.591 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 13.4 t70 -114.59 177.18 4.74 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 176.288 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -74.53 -36.66 63.15 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 172.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1103 ' ' GLU . . . . . 0.587 ' OE1' ' HB2' ' B' 1587 ' ' SER . 21.9 tt0 -102.96 2.39 35.0 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 114.364 -1.289 . . . . 0.0 110.601 -174.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1104 ' ' TRP . . . . . 0.591 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 74.3 m95 -136.15 108.72 7.44 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.446 0.641 . . . . 0.0 110.9 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 46.9 m0 -109.7 167.99 9.74 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.364 -178.124 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1106 ' ' ILE . . . . . 0.63 HG12 HG22 ' A' 1118 ' ' VAL . 57.2 mt -116.09 136.16 53.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.608 -177.737 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1107 ' ' GLY . . . . . 0.469 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -172.64 -162.67 25.16 Favored Glycine 0 N--CA 1.436 -1.36 0 C-N-CA 119.776 -1.202 . . . . 0.0 112.426 178.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 26.8 p-80 -147.93 143.22 27.19 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -177.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1109 ' ' ILE . . . . . 0.542 HD13 HG12 ' A' 1094 ' ' ILE . 30.1 mm -58.62 136.67 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 177.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -71.14 -39.92 71.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.038 -175.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -71.15 -41.61 59.79 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.23 178.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1112 ' ' GLN . . . . . 0.515 ' HG2' HG21 ' A' 1109 ' ' ILE . 4.3 pt20 -125.37 80.55 65.19 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-O 122.219 1.009 . . . . 0.0 109.885 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1113 ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' 1112 ' ' GLN . 24.1 Cg_endo -61.37 -13.28 28.02 Favored 'Trans proline' 0 N--CA 1.472 0.234 0 C-N-CA 123.955 3.104 . . . . 0.0 114.115 -171.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -80.95 -11.02 59.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.98 0.419 . . . . 0.0 110.238 -178.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 65.2 mtt-85 -90.31 98.22 11.65 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 169.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1116 ' ' LYS . . . . . 0.65 ' HD3' ' H ' ' A' 1116 ' ' LYS . 0.0 OUTLIER -129.85 159.5 36.39 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.081 -179.472 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 156.61 -162.97 31.9 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1118 ' ' VAL . . . . . 0.63 HG22 HG12 ' A' 1106 ' ' ILE . 4.7 t -101.21 130.65 50.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.965 0.412 . . . . 0.0 110.613 -179.406 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1119 ' ' PHE . . . . . 0.616 ' HB2' ' HE2' ' A' 1088 ' ' PHE . 28.8 p90 -126.88 146.1 56.17 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.192 -176.705 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1120 ' ' PRO . . . . . 0.555 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 42.9 Cg_endo -75.06 120.36 6.02 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 122.668 2.245 . . . . 0.0 112.601 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1121 ' ' VAL . . . . . 0.555 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 81.3 t -61.79 -18.22 18.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.364 177.41 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 8.3 t -62.28 -25.17 67.7 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.572 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1123 ' ' PHE . . . . . 0.756 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.5 OUTLIER -109.09 1.3 20.36 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.209 0.528 . . . . 0.0 111.123 -174.758 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.588 HG12 ' HA ' ' A' 1074 ' ' THR . 16.2 m -128.17 171.51 16.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.044 -177.284 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 33.3 t60 -133.85 131.86 39.7 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.173 0.511 . . . . 0.0 110.345 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1126 ' ' ILE . . . . . 0.6 ' HA ' HG12 ' A' 1072 ' ' VAL . 1.8 mp -68.71 135.61 28.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.847 -177.183 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1127 ' ' LEU . . . . . 0.752 HD11 ' HB2' ' A' 1073 ' ' LYS . 32.1 mt -114.55 52.04 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.461 -177.073 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 32.5 p -92.01 5.62 49.46 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.736 0.779 . . . . 0.0 110.098 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 22.3 t70 . . . . . 0 C--O 1.25 1.111 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.361 -179.59 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 73.3 m . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B 1579 ' ' ILE . . . . . 0.515 HG12 ' HG3' ' A' 1090 ' ' GLU . 10.2 mt -66.67 122.59 17.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-O 121.013 0.435 . . . . 0.0 110.594 179.133 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1580 ' ' ILE . . . . . 0.417 HD13 ' HB ' ' A' 1075 ' ' ILE . 1.6 mp -76.06 126.36 36.69 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.16 174.535 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 49.5 m 51.07 -143.51 0.63 Allowed 'General case' 0 C--N 1.323 -0.575 0 O-C-N 123.589 0.555 . . . . 0.0 112.188 172.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -108.78 160.7 15.76 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 168.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1583 ' ' MET . . . . . 0.593 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 2.2 ttm -52.07 137.65 36.99 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -172.627 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1584 ' ' PRO . . . . . 0.772 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 60.4 Cg_endo -87.9 -176.55 1.7 Allowed 'Trans proline' 0 N--CA 1.451 -1.001 0 C-N-CA 123.481 2.787 . . . . 0.0 110.57 176.125 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 7.2 m -105.22 134.0 49.06 Favored 'General case' 0 C--N 1.312 -1.032 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.744 -175.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1586 ' ' LYS . . . . . 0.406 ' C ' ' H ' ' B' 1588 ' ' SER . 20.9 ttmt -68.37 93.05 0.45 Allowed 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 167.717 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1587 ' ' SER . . . . . 0.587 ' HB2' ' OE1' ' A' 1103 ' ' GLU . 2.9 m -77.19 24.89 0.17 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.978 -167.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1588 ' ' SER . . . . . 0.406 ' H ' ' C ' ' B' 1586 ' ' LYS . 46.0 m 65.2 134.36 0.02 OUTLIER 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.724 0.773 . . . . 0.0 111.355 -178.281 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1589 ' ' ARG . . . . . 0.498 ' HA ' ' CD1' ' A' 1104 ' ' TRP . 6.9 ttt180 -76.55 101.05 5.51 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.661 0.744 . . . . 0.0 109.189 176.508 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B 1590 ' ' LYS . . . . . . . . . . . . . 14.9 mtmm -71.79 -25.31 61.96 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.325 -1.307 . . . . 0.0 111.742 -169.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.563 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.706 179.027 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 1070 ' ' ARG . . . . . 0.517 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 44.1 ttm180 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1071 ' ' ARG . . . . . 0.56 ' HD2' HD23 ' A' 1127 ' ' LEU . 31.1 ttm180 -123.57 146.95 47.75 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 120.154 -0.618 . . . . 0.0 109.729 -178.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1072 ' ' VAL . . . . . 0.604 HG12 ' HA ' ' A' 1126 ' ' ILE . 27.0 m -132.64 145.47 34.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 173.593 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1073 ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' 1074 ' ' THR . 0.4 OUTLIER -111.93 131.62 55.26 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 177.402 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1074 ' ' THR . . . . . 0.593 ' HA ' HG12 ' A' 1124 ' ' VAL . 49.4 p -74.86 123.87 25.83 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.169 0.509 . . . . 0.0 110.584 -175.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1075 ' ' ILE . . . . . 0.657 HG13 ' CD2' ' A' 1076 ' ' TYR . 23.9 pt -102.02 -3.27 9.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.396 0.617 . . . . 0.0 110.776 -178.373 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1076 ' ' TYR . . . . . 0.785 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 95.5 m-85 -139.33 173.97 11.0 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.169 178.292 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1077 ' ' ASP . . . . . 0.4 ' HA ' ' HA ' ' A' 1089 ' ' ILE . 22.4 m-20 -106.27 105.1 14.97 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 177.295 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1078 ' ' CYS . . . . . 0.64 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 44.5 t -117.74 152.44 35.26 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.017 0.437 . . . . 0.0 110.644 -174.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1079 ' ' GLN . . . . . 0.585 ' HA ' HG23 ' A' 1087 ' ' THR . 29.6 tt0 -132.18 148.86 52.49 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.518 178.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1080 ' ' ALA . . . . . 0.423 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -68.01 136.15 53.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.795 -179.425 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.77 -42.87 11.66 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 177.22 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -109.46 -174.53 2.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.764 176.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 18.4 t70 -74.63 -39.37 62.15 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -172.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -87.05 14.26 7.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.986 0.422 . . . . 0.0 111.769 -170.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1085 ' ' GLU . . . . . 0.423 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 93.1 mt-10 -105.0 164.17 11.99 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.658 0.266 . . . . 0.0 110.489 -178.44 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1086 ' ' LEU . . . . . 0.572 ' HB3' ' HB3' ' A' 1119 ' ' PHE . 12.7 tp -101.26 130.62 47.43 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.016 0.436 . . . . 0.0 111.951 -172.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1087 ' ' THR . . . . . 0.585 HG23 ' HA ' ' A' 1079 ' ' GLN . 60.2 m -98.71 116.92 32.01 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 170.299 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1088 ' ' PHE . . . . . 0.528 ' HE1' ' HD2' ' A' 1120 ' ' PRO . 25.6 p90 -139.56 136.79 34.81 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.964 0.412 . . . . 0.0 110.609 -175.694 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1089 ' ' ILE . . . . . 0.545 HD12 ' HB2' ' A' 1092 ' ' GLU . 1.8 pp -101.43 160.53 3.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.35 -178.651 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1090 ' ' GLU . . . . . 0.41 ' HG3' ' HA ' ' B' 1579 ' ' ILE . 2.9 tm-20 -60.5 127.36 31.32 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -177.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 105.18 -1.52 40.62 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.613 -0.803 . . . . 0.0 111.9 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1092 ' ' GLU . . . . . 0.545 ' HB2' HD12 ' A' 1089 ' ' ILE . 3.9 tp10 -85.02 160.89 19.93 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.118 0.485 . . . . 0.0 110.174 179.029 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 96.6 t -128.02 120.25 53.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.326 -175.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1094 ' ' ILE . . . . . 0.542 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 10.0 mt -113.84 133.58 59.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.968 0.413 . . . . 0.0 110.956 -176.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 47.8 mm -92.5 116.62 34.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 173.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1096 ' ' VAL . . . . . 0.517 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 48.1 t -79.98 114.66 21.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.968 0.413 . . . . 0.0 110.508 -176.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1097 ' ' THR . . . . . 0.522 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 7.8 p -102.47 -19.77 14.78 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.275 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -158.76 -174.77 28.9 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.492 -0.861 . . . . 0.0 113.034 -178.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1099 ' ' GLU . . . . . 0.485 ' HG3' ' CD1' ' A' 1105 ' ' TRP . 15.2 tt0 -153.71 131.76 11.78 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 -177.549 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -117.81 -34.63 4.14 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.129 0.49 . . . . 0.0 109.927 -177.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1101 ' ' ASP . . . . . 0.604 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 23.8 t70 -134.3 171.47 14.22 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 174.508 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1102 ' ' GLN . . . . . 0.595 ' HG2' ' N ' ' A' 1103 ' ' GLU . 0.3 OUTLIER -65.8 -34.66 78.68 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.489 0.661 . . . . 0.0 109.726 -179.912 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1103 ' ' GLU . . . . . 0.595 ' N ' ' HG2' ' A' 1102 ' ' GLN . 31.3 tt0 -109.96 9.77 24.35 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.142 -175.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1104 ' ' TRP . . . . . 0.604 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 80.2 m95 -137.89 104.05 5.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.056 0.455 . . . . 0.0 110.713 179.208 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1105 ' ' TRP . . . . . 0.485 ' CD1' ' HG3' ' A' 1099 ' ' GLU . 44.8 m0 -108.13 164.13 12.57 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.491 -177.256 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1106 ' ' ILE . . . . . 0.72 HG12 HG22 ' A' 1118 ' ' VAL . 49.4 mt -116.45 136.02 54.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.042 -174.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1107 ' ' GLY . . . . . 0.522 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -177.34 -161.79 26.48 Favored Glycine 0 N--CA 1.437 -1.234 0 C-N-CA 119.961 -1.114 . . . . 0.0 112.901 177.037 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 12.4 p-80 -145.56 150.61 36.71 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -178.024 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1109 ' ' ILE . . . . . 0.824 ' HB ' ' HB2' ' A' 1112 ' ' GLN . 44.2 mm -66.69 134.06 30.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.681 -178.505 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -70.64 114.29 8.59 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 98.1 -9.37 63.38 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.431 -175.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1112 ' ' GLN . . . . . 0.824 ' HB2' ' HB ' ' A' 1109 ' ' ILE . 39.2 mt-30 -133.61 69.09 76.56 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 177.706 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -71.42 -12.83 30.04 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 123.24 2.627 . . . . 0.0 112.396 -173.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1114 ' ' GLU . . . . . 0.483 ' HG3' ' HG3' ' A' 1115 ' ' ARG . 13.3 pt-20 -81.54 -16.27 52.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.301 0.572 . . . . 0.0 110.199 177.364 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1115 ' ' ARG . . . . . 0.483 ' HG3' ' HG3' ' A' 1114 ' ' GLU . 94.7 mtt180 -105.51 90.62 3.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.053 -179.257 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1116 ' ' LYS . . . . . 0.506 ' HD3' ' H ' ' A' 1116 ' ' LYS . 0.0 OUTLIER -125.36 161.26 27.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.451 -178.805 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 161.36 -171.36 37.35 Favored Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 120.589 -0.815 . . . . 0.0 111.923 178.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1118 ' ' VAL . . . . . 0.72 HG22 HG12 ' A' 1106 ' ' ILE . 21.6 t -98.34 121.32 48.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.021 0.438 . . . . 0.0 110.311 178.548 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1119 ' ' PHE . . . . . 0.572 ' HB3' ' HB3' ' A' 1086 ' ' LEU . 19.2 p90 -114.86 143.22 29.65 Favored Pre-proline 0 C--N 1.319 -0.758 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.695 -176.129 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1120 ' ' PRO . . . . . 0.528 ' HD2' ' HE1' ' A' 1088 ' ' PHE . 56.3 Cg_endo -74.54 127.19 10.81 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.699 2.266 . . . . 0.0 112.264 176.631 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1121 ' ' VAL . . . . . 0.56 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 70.8 t -66.47 -16.32 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.119 178.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -25.64 67.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.166 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1123 ' ' PHE . . . . . 0.64 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.6 OUTLIER -110.25 1.72 18.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.052 0.453 . . . . 0.0 111.007 -174.776 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.593 HG12 ' HA ' ' A' 1074 ' ' THR . 16.1 m -125.57 174.97 8.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.365 179.415 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 20.2 t60 -137.6 135.54 36.71 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1126 ' ' ILE . . . . . 0.604 ' HA ' HG12 ' A' 1072 ' ' VAL . 1.8 mp -67.58 125.3 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.787 -175.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1127 ' ' LEU . . . . . 0.56 HD23 ' HD2' ' A' 1071 ' ' ARG . 6.2 tp -104.77 -62.31 1.35 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.452 -175.737 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 70.9 m 53.38 65.75 1.43 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.551 -178.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 1129 ' ' ASP . . . . . 0.473 ' OD2' ' HG ' ' A' 1127 ' ' LEU . 45.6 m-20 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.842 -0.599 . . . . 0.0 109.988 175.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 64.2 m . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B 1579 ' ' ILE . . . . . 0.41 ' HA ' ' HG3' ' A' 1090 ' ' GLU . 16.7 mt -66.16 122.01 16.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.045 0.45 . . . . 0.0 110.175 179.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1580 ' ' ILE . . . . . 0.504 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.7 mp -75.58 113.52 14.54 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 174.493 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 48.7 m 56.66 -154.31 0.34 Allowed 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 170.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -91.22 158.16 16.76 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 171.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1583 ' ' MET . . . . . 0.675 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 1.5 ttm -60.19 141.0 90.97 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -173.282 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1584 ' ' PRO . . . . . 0.785 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 89.1 Cg_endo -86.73 -175.94 1.82 Allowed 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 123.559 2.839 . . . . 0.0 110.955 175.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 23.2 m -111.71 132.47 54.6 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 -176.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1586 ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -61.39 102.03 0.21 Allowed 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 170.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 8.3 t -74.51 7.89 2.65 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.214 -171.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1588 ' ' SER . . . . . . . . . . . . . 51.0 m 65.77 150.11 0.05 OUTLIER 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 121.923 0.868 . . . . 0.0 110.941 -176.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1589 ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -91.93 112.93 25.06 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.82 -175.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B 1590 ' ' LYS . . . . . 0.647 ' HD2' ' H ' ' B' 1590 ' ' LYS . 0.1 OUTLIER -60.79 -35.82 77.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.305 -172.078 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.391 0 CA-C-O 121.3 0.571 . . . . 0.0 110.718 177.229 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 1070 ' ' ARG . . . . . 0.747 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 35.1 ttm-85 . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1071 ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' 1071 ' ' ARG . 17.8 ttt180 -117.91 128.91 55.27 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.043 0.449 . . . . 0.0 111.016 -176.077 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1072 ' ' VAL . . . . . 0.653 HG12 ' HA ' ' A' 1126 ' ' ILE . 15.1 m -130.17 157.99 42.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.725 177.637 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1073 ' ' LYS . . . . . 0.655 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.3 OUTLIER -123.13 136.12 54.64 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1074 ' ' THR . . . . . 0.63 ' HA ' HG12 ' A' 1124 ' ' VAL . 60.3 p -74.65 117.59 16.65 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 121.332 0.587 . . . . 0.0 110.243 -178.566 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1075 ' ' ILE . . . . . 0.614 HG13 ' CD2' ' A' 1076 ' ' TYR . 16.0 pt -98.46 0.43 10.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 121.595 0.712 . . . . 0.0 110.137 -178.156 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1076 ' ' TYR . . . . . 0.797 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 87.8 m-85 -143.15 172.89 12.12 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.424 -1.262 . . . . 0.0 110.916 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 5.3 t70 -104.61 127.57 52.39 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 174.306 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1078 ' ' CYS . . . . . 0.651 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 41.1 t -140.15 147.71 40.57 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-O 120.965 0.412 . . . . 0.0 110.636 -173.089 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1079 ' ' GLN . . . . . 0.501 ' HA ' HG23 ' A' 1087 ' ' THR . 29.8 tt0 -133.44 148.6 51.77 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.923 -179.107 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1080 ' ' ALA . . . . . 0.494 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -60.27 133.82 56.46 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.724 -1.125 . . . . 0.0 112.156 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1081 ' ' ASP . . . . . 0.847 ' HB2' ' HE3' ' B' 1586 ' ' LYS . 21.0 t70 -85.63 -48.65 8.68 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 173.425 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1082 ' ' ASN . . . . . 0.408 ' O ' ' HB1' ' A' 1080 ' ' ALA . 6.2 t-20 -102.88 -177.41 3.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.331 -0.849 . . . . 0.0 108.905 173.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 17.1 t70 -72.78 -36.25 67.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 118.018 0.372 . . . . 0.0 111.022 -175.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 37.9 t70 -92.99 53.29 1.96 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.61 0.719 . . . . 0.0 110.102 -176.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1085 ' ' GLU . . . . . 0.494 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 45.5 mt-10 -133.35 153.6 51.45 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.383 174.676 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1086 ' ' LEU . . . . . 0.446 HD23 ' HB3' ' A' 1119 ' ' PHE . 15.6 tp -91.39 124.07 35.3 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.813 0.339 . . . . 0.0 111.235 -176.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1087 ' ' THR . . . . . 0.501 HG23 ' HA ' ' A' 1079 ' ' GLN . 89.7 m -94.53 116.77 29.17 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 170.421 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1088 ' ' PHE . . . . . 0.718 ' HE1' ' HD2' ' A' 1120 ' ' PRO . 32.0 p90 -136.83 144.25 43.55 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.383 -175.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1089 ' ' ILE . . . . . 0.753 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -109.89 156.59 10.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.713 -175.478 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1090 ' ' GLU . . . . . 0.621 ' HG3' HG12 ' B' 1579 ' ' ILE . 2.9 tm-20 -59.85 124.57 20.59 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.39 -176.434 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 108.74 -1.34 32.08 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.665 -179.141 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1092 ' ' GLU . . . . . 0.449 ' HG3' HD12 ' A' 1109 ' ' ILE . 4.2 tp10 -91.55 161.51 14.92 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -179.015 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 41.9 t -126.8 139.5 51.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -177.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1094 ' ' ILE . . . . . 0.459 HG12 HD13 ' A' 1109 ' ' ILE . 18.0 mt -126.83 135.82 62.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.024 0.44 . . . . 0.0 110.972 -177.104 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1095 ' ' ILE . . . . . 0.503 HG12 ' HG2' ' A' 1110 ' ' GLU . 39.8 mm -94.37 111.99 26.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 172.225 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1096 ' ' VAL . . . . . 0.747 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 41.1 t -76.6 115.64 18.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.359 -178.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 17.8 p -99.69 -21.04 15.99 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.807 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -164.0 -176.3 35.73 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.581 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -136.11 138.18 41.78 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1100 ' ' GLU . . . . . 0.573 ' OE1' ' HD2' ' B' 1589 ' ' ARG . 34.0 tt0 -114.95 -30.32 6.43 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.749 0.785 . . . . 0.0 109.395 -178.126 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1101 ' ' ASP . . . . . 0.789 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 27.8 t70 -145.9 179.67 7.31 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.776 -1.102 . . . . 0.0 108.728 177.302 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -66.08 -47.37 74.48 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.183 0.516 . . . . 0.0 109.98 176.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -106.52 16.93 24.02 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.581 -174.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1104 ' ' TRP . . . . . 0.789 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 68.4 m95 -141.15 107.63 5.3 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.599 179.227 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 45.2 m0 -111.49 166.17 11.37 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.753 -176.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1106 ' ' ILE . . . . . 0.51 HD11 ' HB2' ' A' 1100 ' ' GLU . 23.1 mt -116.6 137.02 51.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.105 -175.177 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -178.43 -159.73 23.44 Favored Glycine 0 N--CA 1.439 -1.119 0 C-N-CA 119.876 -1.154 . . . . 0.0 112.928 176.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -145.55 150.68 36.86 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 -177.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1109 ' ' ILE . . . . . 0.65 ' HB ' ' HB3' ' A' 1112 ' ' GLN . 33.1 mm -61.98 137.69 23.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.23 -177.244 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1110 ' ' GLU . . . . . 0.503 ' HG2' HG12 ' A' 1095 ' ' ILE . 0.5 OUTLIER -62.87 104.25 0.53 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.536 179.531 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 100.24 -7.69 58.57 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.986 -0.626 . . . . 0.0 111.721 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1112 ' ' GLN . . . . . 0.65 ' HB3' ' HB ' ' A' 1109 ' ' ILE . 6.3 tp60 -134.9 78.8 53.41 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.22 -22.59 66.86 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.741 2.294 . . . . 0.0 112.013 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -63.99 -33.32 75.48 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.621 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -88.79 90.09 8.26 Favored 'General case' 0 N--CA 1.439 -0.987 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1116 ' ' LYS . . . . . 0.597 ' HD3' ' H ' ' A' 1116 ' ' LYS . 0.2 OUTLIER -131.35 155.96 46.34 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.109 -178.46 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 160.42 -160.85 32.15 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.903 -0.665 . . . . 0.0 111.723 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1118 ' ' VAL . . . . . . . . . . . . . 6.4 t -104.44 120.42 54.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.874 0.369 . . . . 0.0 110.178 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1119 ' ' PHE . . . . . 0.596 ' HZ ' HG22 ' A' 1096 ' ' VAL . 22.1 p90 -113.28 138.29 22.35 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 115.925 -0.579 . . . . 0.0 112.009 -177.229 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1120 ' ' PRO . . . . . 0.718 ' HD2' ' HE1' ' A' 1088 ' ' PHE . 46.6 Cg_endo -71.25 128.01 14.14 Favored 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 122.979 2.453 . . . . 0.0 112.34 175.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1121 ' ' VAL . . . . . 0.566 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 48.8 t -67.79 -15.14 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.122 178.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.01 -24.92 68.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.971 178.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1123 ' ' PHE . . . . . 0.651 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.6 OUTLIER -111.96 3.49 17.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.114 0.483 . . . . 0.0 110.879 -174.73 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.63 HG12 ' HA ' ' A' 1074 ' ' THR . 16.0 m -130.69 166.1 29.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.72 -179.078 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 54.9 t60 -133.02 134.69 44.77 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1126 ' ' ILE . . . . . 0.653 ' HA ' HG12 ' A' 1072 ' ' VAL . 2.5 mp -77.65 125.55 37.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.991 -175.696 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1127 ' ' LEU . . . . . 0.655 HD11 ' HB2' ' A' 1073 ' ' LYS . 54.7 mt -113.44 86.19 2.34 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.43 0.634 . . . . 0.0 110.74 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 21.2 t -104.42 13.35 32.08 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.176 175.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 11.5 p-10 . . . . . 0 C--O 1.243 0.734 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.768 -177.416 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 62.7 m . . . . . 0 N--CA 1.477 0.918 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B 1579 ' ' ILE . . . . . 0.621 HG12 ' HG3' ' A' 1090 ' ' GLU . 20.1 mt -67.29 127.53 29.01 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.351 0 CA-C-O 121.224 0.535 . . . . 0.0 110.19 175.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1580 ' ' ILE . . . . . 0.433 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.6 mp -75.7 122.03 28.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.686 176.763 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 49.0 m 54.95 -149.66 0.44 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.906 0.384 . . . . 0.0 111.624 173.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -94.55 163.34 13.43 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 168.178 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1583 ' ' MET . . . . . 0.602 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 4.9 ttm -63.57 138.58 97.41 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -175.088 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1584 ' ' PRO . . . . . 0.797 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 78.2 Cg_endo -84.28 -174.93 1.98 Allowed 'Trans proline' 0 N--CA 1.449 -1.123 0 C-N-CA 123.312 2.675 . . . . 0.0 110.713 175.308 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 25.9 m -120.9 137.54 54.54 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 -177.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1586 ' ' LYS . . . . . 0.847 ' HE3' ' HB2' ' A' 1081 ' ' ASP . 19.9 ttmm -59.08 103.9 0.2 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 174.235 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 25.7 m -72.62 16.29 0.15 Allowed 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -170.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B 1588 ' ' SER . . . . . 0.41 ' H ' ' C ' ' B' 1586 ' ' LYS . 13.4 m 64.4 115.23 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.742 0.782 . . . . 0.0 111.293 -178.16 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1589 ' ' ARG . . . . . 0.573 ' HD2' ' OE1' ' A' 1100 ' ' GLU . 13.0 ttp180 -64.62 113.65 3.88 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.163 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B 1590 ' ' LYS . . . . . 0.631 ' HD2' ' H ' ' B' 1590 ' ' LYS . 0.1 OUTLIER -68.15 -15.43 63.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.21 0.529 . . . . 0.0 110.4 -175.746 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.22 177.294 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 121.068 0.461 . . . . 0.0 109.795 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -103.96 137.74 41.51 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.199 -173.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1072 ' ' VAL . . . . . 0.757 HG12 ' HA ' ' A' 1126 ' ' ILE . 9.6 m -132.41 163.23 38.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.95 177.601 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1073 ' ' LYS . . . . . 0.545 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.4 OUTLIER -131.07 140.55 50.06 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 179.054 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1074 ' ' THR . . . . . 0.623 ' HA ' HG12 ' A' 1124 ' ' VAL . 46.2 p -78.72 121.3 24.55 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.267 0.556 . . . . 0.0 110.877 -177.042 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1075 ' ' ILE . . . . . 0.511 HG13 ' CD2' ' A' 1076 ' ' TYR . 14.2 pt -98.95 -8.19 9.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.588 0.709 . . . . 0.0 110.141 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1076 ' ' TYR . . . . . 0.815 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 96.7 m-85 -137.08 177.34 7.94 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.727 -1.124 . . . . 0.0 110.199 176.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -113.75 130.21 56.47 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.405 173.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1078 ' ' CYS . . . . . 0.666 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 48.6 t -134.99 151.66 51.03 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.181 -175.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1079 ' ' GLN . . . . . 0.559 ' HA ' HG23 ' A' 1087 ' ' THR . 52.8 tt0 -125.98 144.15 50.81 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.263 0.554 . . . . 0.0 110.86 177.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1080 ' ' ALA . . . . . 0.634 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -75.55 149.38 38.36 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.632 -1.167 . . . . 0.0 112.112 -177.63 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -96.79 -46.9 6.08 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 171.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 52.5 t30 -104.56 153.96 20.52 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 113.701 -1.591 . . . . 0.0 110.208 -175.065 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -57.94 -27.55 63.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.919 -1.037 . . . . 0.0 113.329 -167.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 1.1 p30 -100.12 12.15 37.64 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -175.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1085 ' ' GLU . . . . . 0.733 ' HG2' HH11 ' B' 1589 ' ' ARG . 42.8 mt-10 -96.18 163.53 13.06 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 176.555 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1086 ' ' LEU . . . . . 0.475 ' HB3' ' HB3' ' A' 1119 ' ' PHE . 12.3 tp -103.7 123.26 46.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.884 0.373 . . . . 0.0 111.683 -172.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1087 ' ' THR . . . . . 0.559 HG23 ' HA ' ' A' 1079 ' ' GLN . 91.3 m -94.6 116.62 28.98 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 170.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1088 ' ' PHE . . . . . 0.808 ' HE2' ' HD2' ' A' 1120 ' ' PRO . 39.8 p90 -136.58 152.4 50.42 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.529 -175.612 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1089 ' ' ILE . . . . . 0.636 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -117.1 159.16 17.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.169 177.2 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1090 ' ' GLU . . . . . 0.414 ' HG3' ' HA ' ' B' 1579 ' ' ILE . 4.6 tm-20 -55.89 124.3 17.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.939 -177.228 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 116.39 -11.03 16.75 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.336 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1092 ' ' GLU . . . . . 0.459 ' HA ' ' OE1' ' A' 1092 ' ' GLU . 3.6 mm-40 -78.54 153.37 31.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.344 0.592 . . . . 0.0 110.813 178.483 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 58.6 t -119.26 132.69 68.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.111 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1094 ' ' ILE . . . . . 0.621 HG12 HD13 ' A' 1109 ' ' ILE . 19.7 mt -124.54 133.97 67.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.074 0.464 . . . . 0.0 111.133 -174.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 50.7 mm -95.67 113.28 29.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 172.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1096 ' ' VAL . . . . . 0.451 HG22 ' HZ ' ' A' 1119 ' ' PHE . 30.0 t -76.53 115.44 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.595 -175.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1097 ' ' THR . . . . . 0.513 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 4.1 p -97.45 -26.01 14.99 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 179.214 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -153.35 -171.35 20.49 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.624 -177.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1099 ' ' GLU . . . . . 0.436 ' HA ' ' HA ' ' A' 1105 ' ' TRP . 0.4 OUTLIER -156.92 133.89 10.3 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 -178.172 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -116.59 -34.58 4.49 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.471 0.653 . . . . 0.0 109.538 -178.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1101 ' ' ASP . . . . . 0.774 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 12.1 t70 -130.72 172.71 11.67 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.858 -1.065 . . . . 0.0 108.693 -178.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -69.53 -36.73 76.69 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.609 0.719 . . . . 0.0 109.084 177.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -112.97 16.26 19.43 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.62 -175.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1104 ' ' TRP . . . . . 0.774 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 79.1 m95 -141.33 107.88 5.32 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.8 177.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1105 ' ' TRP . . . . . 0.436 ' HA ' ' HA ' ' A' 1099 ' ' GLU . 43.6 m0 -112.4 164.19 13.55 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.656 -176.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1106 ' ' ILE . . . . . 0.811 HG12 HG22 ' A' 1118 ' ' VAL . 52.1 mt -116.64 136.56 53.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.907 -174.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1107 ' ' GLY . . . . . 0.513 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -176.69 -163.61 29.28 Favored Glycine 0 N--CA 1.441 -1.027 0 C-N-CA 119.894 -1.146 . . . . 0.0 112.648 178.051 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -139.37 149.04 43.68 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -177.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1109 ' ' ILE . . . . . 0.692 ' HB ' ' HB2' ' A' 1112 ' ' GLN . 49.7 mm -62.89 135.23 27.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.39 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -48.84 -63.18 1.17 Allowed 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.52 0.512 . . . . 0.0 111.62 -172.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -91.74 12.76 68.53 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.642 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1112 ' ' GLN . . . . . 0.692 ' HB2' ' HB ' ' A' 1109 ' ' ILE . 22.2 mm-40 -137.21 74.11 49.57 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 121.161 0.505 . . . . 0.0 110.312 178.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -69.75 -4.26 13.67 Favored 'Trans proline' 0 C--N 1.339 0.036 0 C-N-CA 123.367 2.711 . . . . 0.0 111.493 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -81.67 -17.46 47.94 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.644 175.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -109.79 98.42 7.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.395 -178.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1116 ' ' LYS . . . . . 0.419 ' HD3' ' N ' ' A' 1116 ' ' LYS . 0.1 OUTLIER -128.11 157.59 40.33 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 177.149 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 163.94 -172.25 39.74 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.201 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1118 ' ' VAL . . . . . 0.811 HG22 HG12 ' A' 1106 ' ' ILE . 11.2 t -99.78 117.56 45.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.038 0.447 . . . . 0.0 110.342 179.017 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1119 ' ' PHE . . . . . 0.49 ' CE1' HG21 ' A' 1094 ' ' ILE . 14.7 p90 -110.82 142.95 27.25 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.348 -176.675 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1120 ' ' PRO . . . . . 0.808 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 59.8 Cg_endo -74.73 128.68 11.9 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.68 2.253 . . . . 0.0 111.831 176.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1121 ' ' VAL . . . . . 0.583 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 46.8 t -68.71 -16.45 20.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.229 -179.135 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.57 -21.38 66.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.864 179.162 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1123 ' ' PHE . . . . . 0.666 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.5 OUTLIER -112.94 0.89 15.24 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 121.428 0.632 . . . . 0.0 110.646 -175.6 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.623 HG12 ' HA ' ' A' 1074 ' ' THR . 16.2 m -129.18 176.11 8.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.239 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 68.0 t60 -142.72 132.02 23.44 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1126 ' ' ILE . . . . . 0.757 ' HA ' HG12 ' A' 1072 ' ' VAL . 2.8 mp -73.87 132.64 33.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.205 -178.213 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1127 ' ' LEU . . . . . 0.545 HD11 ' HB2' ' A' 1073 ' ' LYS . 77.0 mt -117.61 93.09 4.03 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.664 0.745 . . . . 0.0 110.839 -178.096 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 16.8 t -92.77 44.84 1.16 Allowed 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.085 -0.961 . . . . 0.0 108.714 176.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 6.2 m-20 . . . . . 0 C--O 1.248 1.017 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.362 -179.905 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 28.3 m . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B 1579 ' ' ILE . . . . . 0.414 ' HA ' ' HG3' ' A' 1090 ' ' GLU . 8.6 mt -65.86 127.39 26.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 121.056 0.455 . . . . 0.0 110.356 175.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1580 ' ' ILE . . . . . 0.421 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.6 mp -78.05 121.65 31.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.544 175.671 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 51.1 m 53.64 -152.75 0.29 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 171.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -94.59 160.64 14.54 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 171.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1583 ' ' MET . . . . . 0.574 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 2.4 ttm -59.46 137.17 89.18 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -174.43 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1584 ' ' PRO . . . . . 0.815 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 97.4 Cg_endo -84.78 -175.95 2.28 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 123.436 2.758 . . . . 0.0 110.446 174.141 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 12.5 m -110.85 125.92 54.12 Favored 'General case' 0 C--N 1.313 -0.996 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.542 -177.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1586 ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -60.16 100.83 0.1 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.954 -1.021 . . . . 0.0 108.871 174.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 13.2 p -66.32 -14.71 62.46 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.251 -0.886 . . . . 0.0 113.114 -170.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1588 ' ' SER . . . . . . . . . . . . . 23.3 t 67.61 138.39 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.668 0.605 . . . . 0.0 109.55 -172.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B 1589 ' ' ARG . . . . . 0.733 HH11 ' HG2' ' A' 1085 ' ' GLU . 1.1 mtm-85 -70.36 134.86 48.29 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.191 -0.604 . . . . 0.0 109.727 -175.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1590 ' ' LYS . . . . . 0.492 ' HD2' ' N ' ' B' 1590 ' ' LYS . 3.7 mptp? -81.84 -3.9 55.15 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.951 -175.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.423 174.202 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 1070 ' ' ARG . . . . . 0.576 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 39.9 ttm180 . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1071 ' ' ARG . . . . . 0.503 ' HG3' HD13 ' A' 1095 ' ' ILE . 39.9 ttt180 -135.42 134.57 39.81 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.095 -172.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1072 ' ' VAL . . . . . 0.568 HG12 ' HA ' ' A' 1126 ' ' ILE . 28.0 m -125.21 152.47 31.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 120.949 0.404 . . . . 0.0 111.04 178.47 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1073 ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' 1074 ' ' THR . 0.3 OUTLIER -119.53 134.01 55.41 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 177.231 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1074 ' ' THR . . . . . 0.563 ' HA ' HG12 ' A' 1124 ' ' VAL . 51.9 p -77.49 129.09 35.27 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-O 121.082 0.468 . . . . 0.0 110.937 -175.072 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1075 ' ' ILE . . . . . 0.563 HG13 ' CD2' ' A' 1076 ' ' TYR . 25.2 pt -101.18 -7.26 9.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-O 121.413 0.625 . . . . 0.0 110.078 179.218 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1076 ' ' TYR . . . . . 0.805 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 65.6 m-85 -137.42 176.89 8.3 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.589 -1.187 . . . . 0.0 111.095 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 2.9 t70 -107.41 132.95 52.62 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.348 -1.296 . . . . 0.0 108.573 173.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1078 ' ' CYS . . . . . 0.655 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 47.1 t -145.98 146.4 30.99 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.421 -174.609 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1079 ' ' GLN . . . . . 0.566 ' HA ' HG23 ' A' 1087 ' ' THR . 51.5 tt0 -127.74 144.35 51.09 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.821 -179.111 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1080 ' ' ALA . . . . . . . . . . . . . . . -57.81 128.8 38.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.03 -0.986 . . . . 0.0 112.549 -175.281 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 17.2 t70 -77.93 -34.07 51.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.11 178.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1082 ' ' ASN . . . . . 0.5 ' H ' ' CG ' ' A' 1085 ' ' GLU . 8.4 t-20 -133.99 -169.77 2.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.997 -1.001 . . . . 0.0 108.755 -177.714 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 34.6 t70 -69.33 -40.04 77.84 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -173.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 29.5 t70 -107.05 32.95 4.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.598 0.713 . . . . 0.0 111.651 -174.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1085 ' ' GLU . . . . . 0.513 ' CD ' HH21 ' B' 1589 ' ' ARG . 16.4 mm-40 -96.08 -171.4 2.31 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 170.188 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1086 ' ' LEU . . . . . 0.436 ' CD2' HD13 ' A' 1094 ' ' ILE . 14.1 tp -123.67 133.23 53.93 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 120.044 -0.662 . . . . 0.0 112.106 -178.228 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1087 ' ' THR . . . . . 0.566 HG23 ' HA ' ' A' 1079 ' ' GLN . 36.4 m -102.91 121.35 42.34 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 170.136 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1088 ' ' PHE . . . . . 0.54 ' HB2' HG21 ' A' 1074 ' ' THR . 12.5 p90 -143.57 138.19 28.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.034 0.445 . . . . 0.0 110.554 -176.265 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1089 ' ' ILE . . . . . 0.639 HD12 ' HB2' ' A' 1092 ' ' GLU . 1.8 pp -100.42 154.71 4.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.122 -177.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1090 ' ' GLU . . . . . 0.56 ' HG3' HG12 ' B' 1579 ' ' ILE . 3.7 tm-20 -56.9 126.58 27.71 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 -178.705 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 105.54 -2.95 39.51 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.912 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1092 ' ' GLU . . . . . 0.639 ' HB2' HD12 ' A' 1089 ' ' ILE . 6.3 tp10 -80.95 160.59 24.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.213 0.53 . . . . 0.0 110.51 -178.584 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1093 ' ' VAL . . . . . 0.509 ' O ' HG23 ' A' 1109 ' ' ILE . 59.1 t -126.87 123.88 63.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.16 -178.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1094 ' ' ILE . . . . . 0.811 HG12 HG12 ' A' 1109 ' ' ILE . 22.7 mt -118.52 137.42 52.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -176.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1095 ' ' ILE . . . . . 0.542 HG12 ' HB2' ' A' 1110 ' ' GLU . 38.7 mm -92.19 121.9 43.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 174.589 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1096 ' ' VAL . . . . . 0.576 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 38.9 t -83.45 117.17 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.817 0.341 . . . . 0.0 110.512 -176.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1097 ' ' THR . . . . . 0.612 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 17.9 p -104.21 -17.94 14.68 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.305 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -163.37 -172.88 31.4 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.325 -0.94 . . . . 0.0 113.109 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1099 ' ' GLU . . . . . 0.581 ' HG3' ' CD1' ' A' 1105 ' ' TRP . 21.6 tt0 -153.6 138.47 17.13 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -177.372 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -119.56 -40.11 2.81 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 177.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1101 ' ' ASP . . . . . 0.71 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 33.1 t70 -130.81 168.36 17.36 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.803 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -58.73 -38.42 78.32 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-O 121.44 0.638 . . . . 0.0 109.999 176.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1103 ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' 1120 ' ' PRO . 53.7 tt0 -109.77 9.44 24.79 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.845 -171.728 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1104 ' ' TRP . . . . . 0.71 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 79.0 m95 -140.67 107.22 5.31 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.486 -178.43 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1105 ' ' TRP . . . . . 0.581 ' CD1' ' HG3' ' A' 1099 ' ' GLU . 44.0 m0 -111.0 161.86 15.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.505 -178.683 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1106 ' ' ILE . . . . . 0.499 HG12 HG22 ' A' 1118 ' ' VAL . 45.7 mt -116.22 139.26 43.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.96 -174.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1107 ' ' GLY . . . . . 0.612 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -179.64 -165.87 34.39 Favored Glycine 0 N--CA 1.44 -1.056 0 C-N-CA 119.98 -1.105 . . . . 0.0 112.733 175.821 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1108 ' ' HIS . . . . . 0.625 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 14.6 p-80 -138.18 141.25 40.05 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.408 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1109 ' ' ILE . . . . . 0.811 HG12 HG12 ' A' 1094 ' ' ILE . 12.2 mt -66.93 132.65 32.17 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.122 -172.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1110 ' ' GLU . . . . . 0.542 ' HB2' HG12 ' A' 1095 ' ' ILE . 2.0 tm-20 -72.33 110.94 7.11 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.703 -1.135 . . . . 0.0 109.305 -174.716 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 112.16 -10.71 26.83 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.986 -0.626 . . . . 0.0 111.599 -177.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 49.2 tp60 -151.92 84.83 4.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -63.04 -20.85 72.43 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 123.368 2.712 . . . . 0.0 113.379 -173.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.06 -13.48 61.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.885 0.374 . . . . 0.0 111.401 178.341 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1115 ' ' ARG . . . . . 0.46 ' HB2' ' HB ' ' A' 1109 ' ' ILE . 86.0 mtt180 -96.53 88.63 4.74 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 176.325 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1116 ' ' LYS . . . . . 0.625 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 0.0 OUTLIER -131.47 150.47 52.14 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.224 177.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 166.35 -164.3 37.51 Favored Glycine 0 N--CA 1.44 -1.076 0 N-CA-C 110.681 -0.968 . . . . 0.0 110.681 -178.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1118 ' ' VAL . . . . . 0.499 HG22 HG12 ' A' 1106 ' ' ILE . 7.0 t -103.71 120.34 53.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 176.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1119 ' ' PHE . . . . . . . . . . . . . 11.6 p90 -110.21 135.18 20.59 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.743 -177.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1120 ' ' PRO . . . . . 0.433 ' HA ' ' O ' ' A' 1103 ' ' GLU . 31.1 Cg_endo -69.06 126.38 13.7 Favored 'Trans proline' 0 N--CA 1.459 -0.5 0 C-N-CA 122.62 2.213 . . . . 0.0 111.8 175.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1121 ' ' VAL . . . . . 0.58 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 59.2 t -64.45 -16.64 19.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.45 0.643 . . . . 0.0 109.698 177.32 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1122 ' ' SER . . . . . 0.607 ' HB2' ' HD1' ' A' 1123 ' ' PHE . 0.9 OUTLIER -58.65 -30.67 67.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.787 178.06 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1123 ' ' PHE . . . . . 0.655 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.4 OUTLIER -109.16 6.83 25.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.981 -173.595 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.58 ' CG2' ' HA ' ' A' 1121 ' ' VAL . 17.4 m -134.78 177.11 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 121.165 0.507 . . . . 0.0 112.076 -177.031 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1125 ' ' HIS . . . . . 0.4 ' CE1' HD13 ' A' 1075 ' ' ILE . 0.0 OUTLIER -139.56 147.7 41.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.26 177.584 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 1126 ' ' ILE . . . . . 0.568 ' HA ' HG12 ' A' 1072 ' ' VAL . 2.3 mp -86.76 124.62 40.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.112 0.482 . . . . 0.0 110.828 -177.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 10.6 mp -113.43 -57.29 2.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.761 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 15.2 m 53.92 44.18 29.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.803 0.811 . . . . 0.0 109.265 -172.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 26.4 t70 . . . . . 0 C--O 1.246 0.875 0 CA-C-N 114.641 -1.163 . . . . 0.0 109.488 -177.647 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 33.6 m . . . . . 0 N--CA 1.478 0.939 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B 1579 ' ' ILE . . . . . 0.56 HG12 ' HG3' ' A' 1090 ' ' GLU . 19.1 mt -61.71 131.1 26.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.103 0.477 . . . . 0.0 110.603 177.583 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1580 ' ' ILE . . . . . 0.494 HD13 ' HB ' ' A' 1075 ' ' ILE . 1.7 mp -87.51 120.46 36.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 173.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 24.7 m 54.16 -156.48 0.21 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 169.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -91.86 159.29 15.86 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.312 169.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1583 ' ' MET . . . . . 0.659 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 2.1 ttm -54.25 138.06 58.07 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -173.685 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1584 ' ' PRO . . . . . 0.805 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 68.2 Cg_endo -87.59 -175.53 1.51 Allowed 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 123.49 2.793 . . . . 0.0 110.049 177.719 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 85.2 m -110.59 136.88 49.02 Favored 'General case' 0 C--N 1.305 -1.339 0 C-N-CA 120.509 -0.477 . . . . 0.0 109.873 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1586 ' ' LYS . . . . . 0.449 ' C ' ' H ' ' B' 1588 ' ' SER . 16.3 ttmt -65.11 95.87 0.19 Allowed 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 169.463 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 5.1 m -74.54 25.98 0.08 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.283 -168.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B 1588 ' ' SER . . . . . 0.449 ' H ' ' C ' ' B' 1586 ' ' LYS . 27.4 m 62.16 141.16 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.855 0.836 . . . . 0.0 111.716 -178.036 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1589 ' ' ARG . . . . . 0.513 HH21 ' CD ' ' A' 1085 ' ' GLU . 7.2 ttp85 -85.01 103.4 14.01 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 173.663 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1590 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.34 25.66 0.06 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.154 0.502 . . . . 0.0 112.26 -172.723 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B 1591 ' ' ALA . . . . . 0.444 ' H ' ' C ' ' B' 1589 ' ' ARG . . . . . . . . 0 C--N 1.321 -0.653 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 172.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1070 ' ' ARG . . . . . 0.7 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 8.5 ttm180 . . . . . 0 C--O 1.221 -0.415 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 44.1 ttt180 -105.93 127.21 52.99 Favored 'General case' 0 C--N 1.313 -1.01 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.122 -169.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1072 ' ' VAL . . . . . 0.574 HG12 ' HA ' ' A' 1126 ' ' ILE . 25.2 m -125.41 155.9 34.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.689 0.281 . . . . 0.0 110.44 177.742 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1073 ' ' LYS . . . . . 0.46 ' HD2' ' N ' ' A' 1074 ' ' THR . 0.4 OUTLIER -123.54 133.34 54.01 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.027 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1074 ' ' THR . . . . . 0.634 ' HA ' HG12 ' A' 1124 ' ' VAL . 59.8 p -72.5 118.48 15.46 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.049 0.452 . . . . 0.0 110.569 -177.125 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1075 ' ' ILE . . . . . 0.655 HG13 ' CD2' ' A' 1076 ' ' TYR . 21.2 pt -98.71 -5.93 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.645 0.736 . . . . 0.0 109.835 -178.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1076 ' ' TYR . . . . . 0.807 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 98.7 m-85 -138.98 177.97 7.5 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.196 -1.365 . . . . 0.0 109.605 176.316 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1077 ' ' ASP . . . . . 0.427 ' O ' ' HE1' ' B' 1583 ' ' MET . 7.4 p-10 -113.51 130.56 56.32 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.173 172.714 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1078 ' ' CYS . . . . . 0.773 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 42.0 t -136.49 142.0 43.52 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.89 -177.738 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1079 ' ' GLN . . . . . 0.641 ' HA ' HG23 ' A' 1087 ' ' THR . 54.6 mt-30 -109.59 173.23 6.42 Favored 'General case' 0 C--N 1.311 -1.097 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.558 178.283 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1080 ' ' ALA . . . . . 0.474 ' HA ' ' HG2' ' A' 1085 ' ' GLU . . . -44.16 134.75 4.69 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.254 -1.339 . . . . 0.0 113.722 -179.437 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 12.0 t0 -99.35 -34.02 10.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.852 173.474 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -138.38 -169.21 2.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.55 -178.018 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -71.6 -20.53 61.98 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.639 0.733 . . . . 0.0 109.667 170.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 9.5 t70 -116.55 93.68 4.31 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.979 -1.009 . . . . 0.0 109.759 -178.471 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1085 ' ' GLU . . . . . 0.474 ' HG2' ' HA ' ' A' 1080 ' ' ALA . 0.0 OUTLIER -153.19 -166.81 2.53 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.247 0.546 . . . . 0.0 111.861 -179.173 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1086 ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' 1116 ' ' LYS . 6.8 tt -141.87 106.14 4.8 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.166 -0.925 . . . . 0.0 109.207 170.605 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1087 ' ' THR . . . . . 0.641 HG23 ' HA ' ' A' 1079 ' ' GLN . 54.4 m -77.49 135.17 38.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.332 177.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1088 ' ' PHE . . . . . 0.615 ' HZ ' ' HB2' ' A' 1123 ' ' PHE . 11.1 p90 -147.76 160.77 42.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.237 0.542 . . . . 0.0 111.734 -175.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1089 ' ' ILE . . . . . 0.473 HD12 ' HG2' ' A' 1092 ' ' GLU . 1.8 pp -126.22 158.92 35.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.129 177.749 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -57.14 124.82 20.12 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.598 0.561 . . . . 0.0 110.17 -178.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 114.17 -6.45 23.38 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.42 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1092 ' ' GLU . . . . . 0.473 ' HG2' HD12 ' A' 1089 ' ' ILE . 19.1 mm-40 -83.98 159.4 21.24 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.052 0.453 . . . . 0.0 111.549 176.207 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1093 ' ' VAL . . . . . 0.435 HG22 ' HG2' ' A' 1073 ' ' LYS . 58.1 t -125.68 127.06 71.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 179.095 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1094 ' ' ILE . . . . . 0.572 HG12 HD13 ' A' 1109 ' ' ILE . 24.8 mt -115.33 129.76 71.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-O 121.279 0.562 . . . . 0.0 110.951 -174.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 51.3 mm -89.58 101.99 12.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 173.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1096 ' ' VAL . . . . . 0.753 HG22 ' HZ ' ' A' 1119 ' ' PHE . 61.6 t -70.89 121.62 21.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.511 -178.415 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 7.8 p -104.33 -19.17 14.17 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.095 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -163.34 -176.71 35.61 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.872 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -139.87 148.39 42.0 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1100 ' ' GLU . . . . . 0.484 ' CD ' HH21 ' B' 1589 ' ' ARG . 31.2 tt0 -123.99 -38.46 2.47 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.365 -0.534 . . . . 0.0 109.697 176.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1101 ' ' ASP . . . . . . . . . . . . . 31.3 t70 -139.05 175.15 9.8 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 174.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -58.27 -48.29 80.93 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.27 0.557 . . . . 0.0 110.082 176.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1103 ' ' GLU . . . . . 0.573 ' O ' ' HA ' ' A' 1120 ' ' PRO . 30.4 tt0 -98.33 6.68 47.11 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.389 -171.625 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1104 ' ' TRP . . . . . 0.648 ' CD1' ' HA ' ' B' 1589 ' ' ARG . 87.4 m95 -139.79 105.19 5.06 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.45 0.643 . . . . 0.0 111.022 -178.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 44.8 m0 -107.03 167.95 9.54 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.502 -178.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 48.4 mt -119.03 135.15 60.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.194 -175.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -177.13 -161.36 25.61 Favored Glycine 0 N--CA 1.441 -1.009 0 C-N-CA 120.313 -0.946 . . . . 0.0 112.4 178.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1108 ' ' HIS . . . . . 0.503 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 8.5 p-80 -147.81 149.87 33.14 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.639 0.257 . . . . 0.0 110.572 -178.365 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1109 ' ' ILE . . . . . 0.572 HD13 HG12 ' A' 1094 ' ' ILE . 32.2 mm -60.62 136.19 24.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.461 178.501 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -62.02 -47.18 85.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.072 -177.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -90.64 8.86 79.16 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.581 -0.818 . . . . 0.0 112.752 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1112 ' ' GLN . . . . . 0.472 ' O ' ' HB ' ' A' 1109 ' ' ILE . 48.6 tp60 -161.63 78.94 2.12 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -178.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -66.69 -16.71 51.27 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 123.17 2.58 . . . . 0.0 112.884 -174.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -72.06 -26.69 62.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.088 0.47 . . . . 0.0 109.751 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 74.7 mtt-85 -82.36 93.84 7.26 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 170.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1116 ' ' LYS . . . . . 0.503 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 23.4 pttm -138.16 147.66 44.11 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.113 -176.11 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1117 ' ' GLY . . . . . 0.446 ' HA3' ' O ' ' A' 1085 ' ' GLU . . . 162.55 -147.38 13.31 Favored Glycine 0 N--CA 1.443 -0.894 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.067 -177.506 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1118 ' ' VAL . . . . . 0.485 HG21 ' CZ ' ' B' 1589 ' ' ARG . 2.1 t -112.52 129.14 68.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 110.541 -0.17 . . . . 0.0 110.541 -175.392 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1119 ' ' PHE . . . . . 0.753 ' HZ ' HG22 ' A' 1096 ' ' VAL . 23.6 p90 -128.14 146.5 59.64 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.614 -175.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1120 ' ' PRO . . . . . 0.573 ' HA ' ' O ' ' A' 1103 ' ' GLU . 73.7 Cg_endo -78.7 126.26 7.25 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.228 2.619 . . . . 0.0 112.565 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1121 ' ' VAL . . . . . 0.582 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 83.9 t -65.94 -19.56 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.8 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 45.4 m -61.57 -25.78 67.54 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 177.388 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1123 ' ' PHE . . . . . 0.773 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.6 OUTLIER -107.88 0.77 22.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.403 0.62 . . . . 0.0 110.753 -174.455 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.634 HG12 ' HA ' ' A' 1074 ' ' THR . 14.9 m -127.61 169.89 18.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.248 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 33.2 t60 -134.45 141.02 46.65 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1126 ' ' ILE . . . . . 0.574 ' HA ' HG12 ' A' 1072 ' ' VAL . 2.0 mp -82.29 124.74 39.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.105 0.478 . . . . 0.0 110.831 -176.206 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 9.1 mp -105.85 -53.34 2.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.814 176.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 49.1 m 53.68 47.67 23.26 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.78 0.8 . . . . 0.0 109.422 -173.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 30.9 t70 . . . . . 0 C--O 1.251 1.136 0 CA-C-N 114.729 -1.123 . . . . 0.0 109.759 -176.322 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 73.8 m . . . . . 0 N--CA 1.476 0.851 0 CA-C-O 120.684 0.278 . . . . 0.0 110.729 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 35.9 mt -71.77 120.5 20.13 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-O 121.189 0.519 . . . . 0.0 110.008 176.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1580 ' ' ILE . . . . . 0.474 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.6 mp -65.91 113.67 2.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.372 176.378 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 49.9 m 58.16 -151.87 0.41 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.789 0.328 . . . . 0.0 111.086 176.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -92.63 153.67 18.85 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 170.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1583 ' ' MET . . . . . 0.549 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 4.6 ttm -59.69 134.46 89.31 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -176.581 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1584 ' ' PRO . . . . . 0.807 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 95.2 Cg_endo -84.08 -175.53 2.25 Favored 'Trans proline' 0 N--CA 1.445 -1.35 0 C-N-CA 123.226 2.618 . . . . 0.0 109.598 176.052 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 14.8 t -113.6 139.71 48.79 Favored 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 119.432 -0.907 . . . . 0.0 109.39 -178.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1586 ' ' LYS . . . . . 0.488 ' HE3' ' HB3' ' B' 1586 ' ' LYS . 3.8 tmmt? -67.28 99.53 0.72 Allowed 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 174.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 5.4 m -71.39 14.89 0.15 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.723 -167.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B 1588 ' ' SER . . . . . 0.434 ' H ' ' C ' ' B' 1586 ' ' LYS . 51.1 m 67.72 127.76 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.744 0.783 . . . . 0.0 110.751 -176.209 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1589 ' ' ARG . . . . . 0.648 ' HA ' ' CD1' ' A' 1104 ' ' TRP . 37.5 ttt180 -60.68 122.06 13.8 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.649 177.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B 1590 ' ' LYS . . . . . 0.507 ' HD2' ' N ' ' B' 1590 ' ' LYS . 0.4 OUTLIER -71.51 -5.83 36.01 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.177 0.513 . . . . 0.0 111.205 -173.368 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.384 174.11 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 1070 ' ' ARG . . . . . 0.44 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 42.3 ttm180 . . . . . 0 C--O 1.22 -0.469 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1071 ' ' ARG . . . . . 0.49 ' HG3' HD13 ' A' 1095 ' ' ILE . 3.1 ttm180 -84.98 135.56 33.98 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.526 -0.469 . . . . 0.0 110.747 -178.264 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1072 ' ' VAL . . . . . 0.576 HG12 ' HA ' ' A' 1126 ' ' ILE . 33.8 m -129.98 153.82 39.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.108 176.164 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1073 ' ' LYS . . . . . 0.526 ' HG2' HG22 ' A' 1093 ' ' VAL . 0.1 OUTLIER -120.67 135.95 54.98 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 -179.283 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1074 ' ' THR . . . . . 0.561 ' HA ' HG12 ' A' 1124 ' ' VAL . 72.5 p -78.38 126.56 30.95 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.321 0.581 . . . . 0.0 111.113 -175.662 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1075 ' ' ILE . . . . . 0.694 HD12 ' HB ' ' B' 1580 ' ' ILE . 15.8 pt -103.36 -3.7 9.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.997 179.156 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1076 ' ' TYR . . . . . 0.69 ' HB2' ' HB3' ' A' 1123 ' ' PHE . 31.2 m-85 -144.92 172.52 12.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.84 -179.381 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1077 ' ' ASP . . . . . 0.544 ' HA ' ' HA ' ' A' 1089 ' ' ILE . 10.1 p-10 -110.05 111.24 22.49 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 114.806 -1.088 . . . . 0.0 108.805 175.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1078 ' ' CYS . . . . . 0.695 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 51.5 t -119.89 143.29 48.03 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.512 -177.404 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1079 ' ' GLN . . . . . 0.563 ' HA ' HG23 ' A' 1087 ' ' THR . 49.3 mt-30 -121.47 142.11 50.36 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-O 121.329 0.585 . . . . 0.0 111.283 -178.283 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1080 ' ' ALA . . . . . 0.659 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -87.54 149.24 24.48 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.849 -173.458 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -95.58 -36.07 11.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.553 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -108.34 153.01 23.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.163 177.328 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 34.5 t70 -63.31 -25.39 68.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.296 -0.866 . . . . 0.0 112.297 -174.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -87.82 -2.53 58.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.861 0.363 . . . . 0.0 111.689 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1085 ' ' GLU . . . . . 0.659 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 59.1 mt-10 -97.85 159.14 15.12 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1086 ' ' LEU . . . . . 0.687 ' HB3' ' HB3' ' A' 1119 ' ' PHE . 9.3 tp -96.96 129.75 44.37 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.102 0.477 . . . . 0.0 112.205 -171.165 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1087 ' ' THR . . . . . 0.563 HG23 ' HA ' ' A' 1079 ' ' GLN . 96.2 m -100.98 128.11 47.16 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 169.744 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1088 ' ' PHE . . . . . 0.727 ' HE2' ' HD2' ' A' 1120 ' ' PRO . 34.4 p90 -146.45 158.57 43.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.895 0.379 . . . . 0.0 111.082 -175.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1089 ' ' ILE . . . . . 0.544 ' HA ' ' HA ' ' A' 1077 ' ' ASP . 1.8 pp -125.43 155.84 34.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.713 -179.286 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1090 ' ' GLU . . . . . 0.423 ' HG2' ' C ' ' A' 1075 ' ' ILE . 6.6 tm-20 -55.78 128.45 34.96 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 123.515 0.509 . . . . 0.0 110.585 -178.351 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 105.13 -5.65 42.2 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.571 -0.823 . . . . 0.0 111.661 -178.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1092 ' ' GLU . . . . . 0.505 ' HB2' HD12 ' A' 1089 ' ' ILE . 4.0 tp10 -84.96 160.56 20.05 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.641 -0.504 . . . . 0.0 109.641 177.444 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1093 ' ' VAL . . . . . 0.526 HG22 ' HG2' ' A' 1073 ' ' LYS . 59.8 t -129.43 131.4 67.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -178.482 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1094 ' ' ILE . . . . . 0.431 HG21 ' CE1' ' A' 1119 ' ' PHE . 14.9 mt -120.51 135.78 59.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.997 0.427 . . . . 0.0 110.961 -175.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1095 ' ' ILE . . . . . 0.515 HG12 ' HG2' ' A' 1110 ' ' GLU . 32.4 mm -93.03 109.61 21.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.307 172.777 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1096 ' ' VAL . . . . . 0.739 HG22 ' HZ ' ' A' 1119 ' ' PHE . 93.7 t -73.88 113.09 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.063 0.459 . . . . 0.0 110.334 178.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 21.3 p -100.5 -12.13 19.56 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.774 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -172.45 178.51 44.53 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.236 179.249 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -133.46 144.81 49.71 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1100 ' ' GLU . . . . . 0.547 ' OE1' ' HD2' ' B' 1589 ' ' ARG . 42.0 tt0 -121.51 -47.75 2.21 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.482 0.658 . . . . 0.0 109.356 178.359 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1101 ' ' ASP . . . . . 0.825 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 26.5 t70 -116.12 179.41 4.0 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 174.221 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -73.4 -35.47 65.87 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 175.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -113.53 12.5 18.6 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.446 -175.073 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1104 ' ' TRP . . . . . 0.825 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 70.7 m95 -137.84 107.45 6.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.37 176.705 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 45.3 m0 -111.08 169.27 8.88 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.712 -175.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1106 ' ' ILE . . . . . 0.457 HG12 HG22 ' A' 1118 ' ' VAL . 33.3 mt -118.01 136.08 56.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.108 -174.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -179.0 -161.36 26.49 Favored Glycine 0 N--CA 1.441 -1.031 0 C-N-CA 119.817 -1.182 . . . . 0.0 112.799 177.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1108 ' ' HIS . . . . . 0.543 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 17.8 p-80 -148.19 151.27 35.24 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.564 -0.318 . . . . 0.0 110.167 -177.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1109 ' ' ILE . . . . . 0.471 HD12 ' HG3' ' A' 1092 ' ' GLU . 39.5 mm -62.92 134.3 28.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.089 -177.575 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1110 ' ' GLU . . . . . 0.515 ' HG2' HG12 ' A' 1095 ' ' ILE . 0.0 OUTLIER -66.03 103.15 0.9 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.371 -178.682 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 106.37 -5.88 38.66 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.338 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -140.38 79.4 20.97 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-O 121.036 0.446 . . . . 0.0 109.904 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -70.31 3.52 2.99 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.55 2.833 . . . . 0.0 113.28 -175.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -83.81 -27.17 28.98 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.265 0.555 . . . . 0.0 109.749 174.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -94.08 89.62 6.09 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.405 178.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1116 ' ' LYS . . . . . 0.543 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 0.0 OUTLIER -131.32 157.66 42.74 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.984 176.835 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 154.38 -162.67 30.76 Favored Glycine 0 N--CA 1.444 -0.812 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.88 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1118 ' ' VAL . . . . . 0.457 HG22 HG12 ' A' 1106 ' ' ILE . 8.3 t -101.18 122.72 53.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.908 0.385 . . . . 0.0 110.548 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1119 ' ' PHE . . . . . 0.739 ' HZ ' HG22 ' A' 1096 ' ' VAL . 23.9 p90 -117.84 145.65 37.12 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.988 -176.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1120 ' ' PRO . . . . . 0.727 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 62.3 Cg_endo -76.6 124.65 7.74 Favored 'Trans proline' 0 C--O 1.237 0.467 0 C-N-CA 122.965 2.443 . . . . 0.0 112.968 178.381 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1121 ' ' VAL . . . . . 0.606 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 57.3 t -64.56 -16.16 18.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.429 178.603 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1122 ' ' SER . . . . . 0.633 ' HB2' ' CD1' ' A' 1123 ' ' PHE . 0.7 OUTLIER -59.71 -34.15 72.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.106 -179.409 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1123 ' ' PHE . . . . . 0.695 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.1 OUTLIER -107.27 5.84 27.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.046 0.451 . . . . 0.0 110.219 -173.316 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.606 ' CG2' ' HA ' ' A' 1121 ' ' VAL . 16.3 m -127.48 167.47 22.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.906 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 3.1 t60 -131.71 138.18 48.56 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 -178.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1126 ' ' ILE . . . . . 0.576 ' HA ' HG12 ' A' 1072 ' ' VAL . 1.9 mp -83.77 128.5 38.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.044 0.45 . . . . 0.0 111.907 -173.304 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 9.4 mp -109.03 -47.19 3.47 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 173.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 1128 ' ' SER . . . . . 0.426 ' CB ' ' HG3' ' A' 1070 ' ' ARG . 5.4 t 58.43 57.17 3.98 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.311 176.065 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 38.9 t70 . . . . . 0 C--O 1.248 1.015 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.598 174.94 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 72.6 m . . . . . 0 N--CA 1.477 0.898 0 CA-C-O 120.831 0.348 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 34.4 mt -90.58 122.81 42.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.49 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1580 ' ' ILE . . . . . 0.694 ' HB ' HD12 ' A' 1075 ' ' ILE . 1.6 mp -94.49 102.41 13.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.029 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1581 ' ' SER . . . . . 0.446 ' HB2' ' O ' ' B' 1580 ' ' ILE . 44.5 m 75.23 -139.55 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.542 -176.193 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -119.48 164.38 15.86 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 171.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1583 ' ' MET . . . . . 0.533 ' HA ' ' CE1' ' A' 1076 ' ' TYR . 18.7 ttm -41.17 119.77 1.82 Allowed Pre-proline 0 N--CA 1.467 0.393 0 O-C-N 123.919 0.762 . . . . 0.0 112.312 -171.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1584 ' ' PRO . . . . . 0.474 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 2.9 Cg_exo -73.64 -176.87 2.75 Favored 'Trans proline' 0 N--CA 1.448 -1.159 0 C-N-CA 122.667 2.245 . . . . 0.0 110.606 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 32.0 m -109.77 134.34 52.12 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1586 ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -59.94 108.59 0.79 Allowed 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 172.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 3.7 p -66.03 -1.46 3.12 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.43 -0.805 . . . . 0.0 113.055 -169.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1588 ' ' SER . . . . . . . . . . . . . 20.3 m 61.6 99.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.475 0.655 . . . . 0.0 110.194 -176.253 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B 1589 ' ' ARG . . . . . 0.547 ' HD2' ' OE1' ' A' 1100 ' ' GLU . 17.3 ttp85 -50.12 124.01 9.41 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.891 -1.049 . . . . 0.0 111.206 -177.33 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1590 ' ' LYS . . . . . 0.572 ' HD2' ' N ' ' B' 1590 ' ' LYS . 3.4 mptp? -76.77 -2.97 35.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.581 0.705 . . . . 0.0 110.335 -175.733 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.737 171.025 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 . . . . . 0 N--CA 1.45 -0.446 0 CA-C-O 121.587 0.708 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 1071 ' ' ARG . . . . . 0.427 ' HG3' HD13 ' A' 1095 ' ' ILE . 22.3 ttm180 -129.3 149.23 51.18 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.751 -177.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1072 ' ' VAL . . . . . 0.61 HG12 ' HA ' ' A' 1126 ' ' ILE . 34.3 m -124.88 147.0 29.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.131 0.491 . . . . 0.0 110.339 175.578 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1073 ' ' LYS . . . . . 0.742 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.2 OUTLIER -111.62 131.14 55.48 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 175.738 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1074 ' ' THR . . . . . 0.57 ' HA ' HG12 ' A' 1124 ' ' VAL . 58.9 p -72.97 114.44 11.12 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.353 0.597 . . . . 0.0 110.25 -177.649 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1075 ' ' ILE . . . . . 0.548 HD12 ' HB ' ' B' 1580 ' ' ILE . 8.4 pt -93.86 -0.8 10.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-O 121.665 0.745 . . . . 0.0 109.567 179.267 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1076 ' ' TYR . . . . . 0.705 ' HB2' ' HB3' ' A' 1123 ' ' PHE . 31.4 m-85 -145.09 177.94 8.41 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.129 -1.396 . . . . 0.0 111.186 178.38 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -118.9 124.83 48.06 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 176.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1078 ' ' CYS . . . . . 0.505 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 42.0 t -131.8 144.79 51.18 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.772 -173.102 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1079 ' ' GLN . . . . . 0.538 ' HA ' HG23 ' A' 1087 ' ' THR . 25.9 tm0? -126.23 138.31 53.61 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.713 0.768 . . . . 0.0 111.418 -176.163 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1080 ' ' ALA . . . . . 0.461 ' HA ' ' HB3' ' A' 1085 ' ' GLU . . . -56.73 139.62 50.08 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 113.653 -1.612 . . . . 0.0 114.436 -173.672 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -76.49 -55.33 5.64 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.011 169.084 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -119.66 -170.79 2.01 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.04 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -67.0 -26.28 66.72 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.92 0.39 . . . . 0.0 111.821 -175.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -92.33 4.51 53.22 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -172.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1085 ' ' GLU . . . . . 0.461 ' HB3' ' HA ' ' A' 1080 ' ' ALA . 4.8 mp0 -91.45 151.96 20.58 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 172.357 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1086 ' ' LEU . . . . . 0.702 ' HB3' ' HB3' ' A' 1119 ' ' PHE . 11.4 tp -96.96 118.12 32.66 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.181 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1087 ' ' THR . . . . . 0.538 HG23 ' HA ' ' A' 1079 ' ' GLN . 56.5 m -88.31 116.18 26.33 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 172.039 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1088 ' ' PHE . . . . . 0.645 ' HE2' ' HB2' ' A' 1119 ' ' PHE . 15.8 p90 -130.96 158.73 39.47 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.126 -178.441 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1089 ' ' ILE . . . . . 0.6 HD12 ' HB2' ' A' 1092 ' ' GLU . 1.6 pp -123.2 150.32 27.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.843 -179.304 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -56.95 119.18 5.83 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.969 -175.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 116.02 -6.89 19.44 Favored Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 111.374 -0.69 . . . . 0.0 111.374 -177.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1092 ' ' GLU . . . . . 0.6 ' HB2' HD12 ' A' 1089 ' ' ILE . 5.2 tp10 -82.73 161.73 21.98 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.368 0.604 . . . . 0.0 111.029 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 71.3 t -126.79 118.3 50.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.123 -175.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1094 ' ' ILE . . . . . 0.549 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 19.7 mt -113.92 131.42 65.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.69 -176.677 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1095 ' ' ILE . . . . . 0.427 HD13 ' HG3' ' A' 1071 ' ' ARG . 43.8 mm -92.09 122.13 43.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 174.348 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 29.3 t -81.89 114.87 23.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.918 0.39 . . . . 0.0 110.829 -174.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1097 ' ' THR . . . . . 0.505 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 19.0 p -103.06 -15.04 16.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.664 -177.719 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -167.97 -172.36 34.89 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.52 -0.848 . . . . 0.0 112.747 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -144.31 138.33 27.82 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 -179.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1100 ' ' GLU . . . . . 0.762 ' HG2' ' HE ' ' B' 1589 ' ' ARG . 5.9 tp10 -114.39 -39.17 3.89 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.779 0.799 . . . . 0.0 109.141 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1101 ' ' ASP . . . . . 0.688 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 6.8 t70 -138.69 173.6 11.41 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.889 -1.05 . . . . 0.0 108.353 -177.701 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -65.61 -35.07 79.73 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.878 0.847 . . . . 0.0 109.145 177.072 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -112.86 12.06 19.37 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 114.22 -1.354 . . . . 0.0 110.44 -174.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1104 ' ' TRP . . . . . 0.688 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 83.5 m95 -139.85 104.16 4.82 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.407 -178.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 44.8 m0 -108.44 165.56 11.43 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.072 0.463 . . . . 0.0 110.311 -177.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1106 ' ' ILE . . . . . 0.663 HG12 HG22 ' A' 1118 ' ' VAL . 63.9 mt -115.41 134.12 59.56 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.005 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.319 -175.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1107 ' ' GLY . . . . . 0.505 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -171.68 -163.18 25.19 Favored Glycine 0 N--CA 1.437 -1.291 0 C-N-CA 119.956 -1.116 . . . . 0.0 112.5 178.668 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1108 ' ' HIS . . . . . 0.533 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 30.3 p80 -149.16 150.82 33.29 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -178.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1109 ' ' ILE . . . . . 0.5 HG22 ' H ' ' A' 1111 ' ' GLY . 28.8 mm -63.31 137.58 24.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.748 178.691 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -67.66 -33.35 74.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.731 -178.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1111 ' ' GLY . . . . . 0.5 ' H ' HG22 ' A' 1109 ' ' ILE . . . -80.85 -38.11 17.18 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.59 -0.814 . . . . 0.0 111.981 177.094 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -117.67 85.95 22.74 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 178.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -62.9 -26.68 74.46 Favored 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 123.091 2.528 . . . . 0.0 114.017 -172.245 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1114 ' ' GLU . . . . . 0.42 ' H ' ' HG3' ' A' 1114 ' ' GLU . 0.0 OUTLIER -89.54 -2.54 58.38 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.172 0.51 . . . . 0.0 111.024 -178.7 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1115 ' ' ARG . . . . . 0.445 HH11 ' HD3' ' A' 1115 ' ' ARG . 57.6 mtt-85 -90.12 92.98 9.19 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 170.057 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1116 ' ' LYS . . . . . 0.533 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 7.4 ptmm? -137.69 160.98 37.72 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.166 -1.379 . . . . 0.0 110.956 -167.582 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 155.9 -161.88 30.95 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 121.045 -0.598 . . . . 0.0 111.9 -177.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1118 ' ' VAL . . . . . 0.663 HG22 HG12 ' A' 1106 ' ' ILE . 10.6 t -104.48 123.13 58.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.129 0.49 . . . . 0.0 110.464 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1119 ' ' PHE . . . . . 0.702 ' HB3' ' HB3' ' A' 1086 ' ' LEU . 24.1 p90 -117.2 146.94 39.33 Favored Pre-proline 0 C--N 1.318 -0.775 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.289 -177.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1120 ' ' PRO . . . . . 0.418 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 54.5 Cg_endo -77.21 126.63 8.65 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.38 2.053 . . . . 0.0 112.515 177.665 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1121 ' ' VAL . . . . . 0.545 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 91.2 t -64.01 -18.51 22.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.174 -178.747 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 16.3 m -64.15 -28.8 70.01 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -178.393 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1123 ' ' PHE . . . . . 0.705 ' HB3' ' HB2' ' A' 1076 ' ' TYR . 0.1 OUTLIER -104.54 -0.14 28.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.26 0.552 . . . . 0.0 109.851 -174.337 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.57 HG12 ' HA ' ' A' 1074 ' ' THR . 19.3 m -124.92 172.08 12.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.102 178.445 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1125 ' ' HIS . . . . . 0.443 ' HB2' HD13 ' A' 1075 ' ' ILE . 69.8 t60 -139.26 132.74 30.27 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.54 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1126 ' ' ILE . . . . . 0.61 ' HA ' HG12 ' A' 1072 ' ' VAL . 2.9 mp -73.86 131.91 34.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.847 -178.5 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1127 ' ' LEU . . . . . 0.742 HD11 ' HB2' ' A' 1073 ' ' LYS . 14.7 mt -103.48 67.65 0.92 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.302 -176.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 22.6 t -112.5 23.7 13.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.528 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 30.7 t70 . . . . . 0 C--O 1.246 0.912 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.339 179.124 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 66.9 m . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.826 0.346 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 58.7 mt -82.33 132.95 30.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.502 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1580 ' ' ILE . . . . . 0.548 ' HB ' HD12 ' A' 1075 ' ' ILE . 1.6 mp -98.17 101.24 11.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.951 0.405 . . . . 0.0 109.91 178.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 12.8 t 74.74 -140.99 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.794 -176.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -120.38 157.37 29.43 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 173.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1583 ' ' MET . . . . . 0.688 ' HA ' ' CE1' ' A' 1076 ' ' TYR . 30.1 ttm -41.1 118.58 1.67 Allowed Pre-proline 0 N--CA 1.469 0.479 0 O-C-N 123.857 0.723 . . . . 0.0 112.631 -168.403 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1584 ' ' PRO . . . . . 0.588 ' HD3' ' CZ ' ' A' 1076 ' ' TYR . 69.7 Cg_endo -73.08 -177.09 2.73 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 122.796 2.33 . . . . 0.0 110.228 179.496 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 1.4 m -110.26 122.29 47.29 Favored 'General case' 0 C--N 1.304 -1.39 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.004 -177.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1586 ' ' LYS . . . . . 0.47 ' HB3' ' HE2' ' B' 1586 ' ' LYS . 3.0 tmmm? -63.9 94.46 0.1 Allowed 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 171.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 16.2 m -72.65 21.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.293 -1.321 . . . . 0.0 112.963 -165.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B 1588 ' ' SER . . . . . 0.429 ' H ' ' C ' ' B' 1586 ' ' LYS . 27.0 m 65.2 156.31 0.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.797 0.808 . . . . 0.0 111.019 -175.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1589 ' ' ARG . . . . . 0.762 ' HE ' ' HG2' ' A' 1100 ' ' GLU . 18.8 ttt180 -105.42 117.74 34.79 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.76 -176.608 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B 1590 ' ' LYS . . . . . 0.668 ' H ' ' HE3' ' B' 1590 ' ' LYS . 0.0 OUTLIER -69.87 -35.69 74.87 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.416 0.627 . . . . 0.0 109.564 -176.697 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B 1591 ' ' ALA . . . . . 0.516 ' HB3' ' HG3' ' A' 1100 ' ' GLU . . . . . . . . 0 C--N 1.322 -0.612 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.354 174.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1070 ' ' ARG . . . . . 0.634 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 14.1 ttm180 . . . . . 0 C--O 1.222 -0.373 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1071 ' ' ARG . . . . . 0.401 ' HE ' HG11 ' A' 1093 ' ' VAL . 78.8 ttt180 -117.12 135.5 53.71 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 178.725 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1072 ' ' VAL . . . . . 0.716 HG12 ' HA ' ' A' 1126 ' ' ILE . 19.4 m -134.05 157.57 41.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.757 0.313 . . . . 0.0 110.446 178.3 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1073 ' ' LYS . . . . . 0.695 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.5 OUTLIER -126.11 137.28 53.59 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 177.9 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1074 ' ' THR . . . . . 0.553 ' HA ' HG12 ' A' 1124 ' ' VAL . 63.9 p -74.46 119.49 18.73 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.174 0.512 . . . . 0.0 110.875 -176.37 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1075 ' ' ILE . . . . . 0.538 HD12 ' HB ' ' B' 1580 ' ' ILE . 10.5 pt -97.35 -0.94 10.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.789 0.804 . . . . 0.0 109.511 177.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1076 ' ' TYR . . . . . 0.722 ' HB2' ' HB3' ' A' 1123 ' ' PHE . 33.8 m-85 -146.33 173.96 11.79 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.258 -1.337 . . . . 0.0 110.878 178.553 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1077 ' ' ASP . . . . . 0.527 ' HB2' HG22 ' A' 1089 ' ' ILE . 7.2 p-10 -111.35 127.96 55.82 Favored 'General case' 0 N--CA 1.441 -0.925 0 CA-C-N 115.274 -0.875 . . . . 0.0 108.976 173.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1078 ' ' CYS . . . . . 0.723 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 43.6 t -135.26 145.94 48.09 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.904 -178.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1079 ' ' GLN . . . . . 0.594 ' HA ' HG23 ' A' 1087 ' ' THR . 60.9 tt0 -120.02 159.65 24.33 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.874 178.535 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1080 ' ' ALA . . . . . 0.55 ' CB ' ' HG2' ' A' 1085 ' ' GLU . . . -25.28 138.27 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 115.684 1.735 . . . . 0.0 115.684 178.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1081 ' ' ASP . . . . . 0.547 ' HB2' ' HD3' ' B' 1586 ' ' LYS . 32.2 t0 -112.02 -19.12 12.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.479 -1.237 . . . . 0.0 109.558 173.276 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1082 ' ' ASN . . . . . 0.613 ' HB3' HH21 ' B' 1589 ' ' ARG . 10.1 t-20 -161.02 -168.92 2.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.212 -174.479 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 19.2 t70 -69.08 -41.0 78.11 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 118.073 0.397 . . . . 0.0 111.61 -175.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -107.11 89.17 2.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.627 0.727 . . . . 0.0 110.556 -178.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1085 ' ' GLU . . . . . 0.55 ' HG2' ' CB ' ' A' 1080 ' ' ALA . 0.0 OUTLIER -133.76 -166.53 1.8 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.393 -179.563 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1086 ' ' LEU . . . . . 0.471 HD12 ' CA ' ' A' 1116 ' ' LYS . 7.2 tt -144.58 106.27 4.28 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.227 171.088 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1087 ' ' THR . . . . . 0.594 HG23 ' HA ' ' A' 1079 ' ' GLN . 69.9 m -79.81 131.71 35.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.144 178.647 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1088 ' ' PHE . . . . . 0.634 ' HE2' ' HB2' ' A' 1119 ' ' PHE . 10.9 p90 -141.28 162.14 36.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.995 0.426 . . . . 0.0 111.242 -176.515 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1089 ' ' ILE . . . . . 0.667 HD12 ' HG2' ' A' 1092 ' ' GLU . 1.8 pp -127.16 154.72 37.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.894 176.354 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -55.38 122.63 11.61 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 123.555 0.534 . . . . 0.0 111.03 -176.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 117.0 -10.54 15.29 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.642 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1092 ' ' GLU . . . . . 0.667 ' HG2' HD12 ' A' 1089 ' ' ILE . 44.0 mm-40 -81.18 157.86 25.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.042 0.449 . . . . 0.0 111.365 177.097 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1093 ' ' VAL . . . . . 0.401 HG11 ' HE ' ' A' 1071 ' ' ARG . 87.4 t -122.42 126.54 74.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.497 178.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1094 ' ' ILE . . . . . 0.643 HG12 HD13 ' A' 1109 ' ' ILE . 12.8 mt -116.76 130.67 71.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-O 120.929 0.395 . . . . 0.0 110.829 -175.354 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 50.0 mm -90.38 105.28 16.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.407 175.075 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1096 ' ' VAL . . . . . 0.634 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 50.7 t -69.83 113.94 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.208 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 11.5 p -103.93 -19.02 14.37 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.737 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -159.83 -170.3 24.23 Favored Glycine 0 N--CA 1.442 -0.951 0 C-N-CA 120.419 -0.896 . . . . 0.0 112.624 -177.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1099 ' ' GLU . . . . . 0.435 ' HA ' ' HA ' ' A' 1105 ' ' TRP . 25.9 tt0 -152.6 131.83 12.77 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -177.092 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1100 ' ' GLU . . . . . 0.412 ' HG2' ' CB ' ' B' 1591 ' ' ALA . 18.9 tt0 -106.93 -40.62 5.42 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.106 -0.638 . . . . 0.0 109.51 -175.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1101 ' ' ASP . . . . . 0.406 ' OD2' ' HB2' ' A' 1104 ' ' TRP . 2.0 p30 -146.4 179.95 7.17 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 168.607 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -54.2 -42.6 69.92 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -173.498 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1103 ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' 1120 ' ' PRO . 32.3 tt0 -112.73 11.79 19.51 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.361 0.601 . . . . 0.0 110.286 -170.67 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1104 ' ' TRP . . . . . 0.566 ' CD1' ' HA ' ' B' 1589 ' ' ARG . 73.9 m95 -139.02 106.63 5.59 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.78 179.136 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1105 ' ' TRP . . . . . 0.435 ' HA ' ' HA ' ' A' 1099 ' ' GLU . 46.3 m0 -108.11 167.38 10.04 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.907 -175.702 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 54.0 mt -115.94 134.54 58.94 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.936 -176.366 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1107 ' ' GLY . . . . . 0.418 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -174.1 -169.02 35.79 Favored Glycine 0 N--CA 1.438 -1.193 0 C-N-CA 120.129 -1.034 . . . . 0.0 112.249 178.41 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 17.4 p-80 -139.77 144.74 37.55 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.732 0.301 . . . . 0.0 110.441 -178.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1109 ' ' ILE . . . . . 0.694 HG22 ' H ' ' A' 1111 ' ' GLY . 40.1 mm -60.86 131.22 25.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.248 178.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -64.12 -25.15 67.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.646 -177.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1111 ' ' GLY . . . . . 0.694 ' H ' HG22 ' A' 1109 ' ' ILE . . . -101.65 5.6 54.42 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.865 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -156.22 92.16 2.58 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.564 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1113 ' ' PRO . . . . . 0.466 ' O ' ' HE3' ' A' 1116 ' ' LYS . 48.3 Cg_endo -66.87 -17.55 51.87 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 123.013 2.475 . . . . 0.0 113.475 -173.334 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1114 ' ' GLU . . . . . 0.552 ' HA ' ' HE3' ' A' 1116 ' ' LYS . 17.4 mt-10 -89.5 -17.47 28.57 Favored 'General case' 0 CA--C 1.509 -0.596 0 CA-C-O 120.998 0.427 . . . . 0.0 110.732 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -83.91 89.66 7.26 Favored 'General case' 0 N--CA 1.439 -1.009 0 C-N-CA 120.254 -0.578 . . . . 0.0 109.579 175.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1116 ' ' LYS . . . . . 0.552 ' HE3' ' HA ' ' A' 1114 ' ' GLU . 0.1 OUTLIER -126.81 172.38 10.43 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.745 176.723 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1117 ' ' GLY . . . . . 0.526 ' HA3' ' O ' ' A' 1085 ' ' GLU . . . 144.42 -159.49 27.75 Favored Glycine 0 N--CA 1.442 -0.963 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.732 179.494 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1118 ' ' VAL . . . . . 0.597 HG21 ' NH1' ' B' 1589 ' ' ARG . 2.1 t -103.51 127.07 57.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 120.851 0.358 . . . . 0.0 110.513 -177.512 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1119 ' ' PHE . . . . . 0.634 ' HB2' ' HE2' ' A' 1088 ' ' PHE . 23.4 p90 -124.33 142.83 41.21 Favored Pre-proline 0 C--N 1.319 -0.744 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.992 -177.504 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1120 ' ' PRO . . . . . 0.527 ' HG3' ' SG ' ' A' 1078 ' ' CYS . 55.7 Cg_endo -74.78 125.43 9.44 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.744 2.296 . . . . 0.0 112.594 -178.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1121 ' ' VAL . . . . . 0.552 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 75.9 t -64.28 -19.68 25.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.782 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1122 ' ' SER . . . . . 0.599 ' HB2' ' CD1' ' A' 1123 ' ' PHE . 1.2 m -59.83 -33.38 71.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.978 -179.458 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1123 ' ' PHE . . . . . 0.723 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.1 OUTLIER -104.69 4.57 32.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.839 0.352 . . . . 0.0 110.313 -172.408 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.553 HG12 ' HA ' ' A' 1074 ' ' THR . 16.4 m -128.54 157.3 41.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.885 0.374 . . . . 0.0 111.36 -178.066 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 52.7 t60 -117.48 129.75 56.01 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.158 0.504 . . . . 0.0 110.102 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1126 ' ' ILE . . . . . 0.716 ' HA ' HG12 ' A' 1072 ' ' VAL . 2.1 mp -75.02 128.29 36.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.485 -178.544 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1127 ' ' LEU . . . . . 0.695 HD11 ' HB2' ' A' 1073 ' ' LYS . 65.2 mt -110.92 62.89 0.61 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.739 -178.189 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 12.6 p -99.4 33.67 2.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.128 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 41.1 m-20 . . . . . 0 C--O 1.248 1.002 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.976 -179.47 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 74.7 m . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 120.985 0.422 . . . . 0.0 110.69 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B 1579 ' ' ILE . . . . . 0.471 HG23 ' CE1' ' A' 1076 ' ' TYR . 44.0 mm -84.05 113.96 23.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.481 178.145 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1580 ' ' ILE . . . . . 0.538 ' HB ' HD12 ' A' 1075 ' ' ILE . 1.6 mp -86.29 102.32 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.304 -179.084 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1581 ' ' SER . . . . . 0.45 ' HB2' ' O ' ' B' 1580 ' ' ILE . 49.6 m 75.03 -136.97 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.692 -174.592 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -124.42 156.94 36.29 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 172.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1583 ' ' MET . . . . . 0.648 ' HA ' ' CE1' ' A' 1076 ' ' TYR . 30.3 ttm -41.39 119.69 1.91 Allowed Pre-proline 0 CA--C 1.517 -0.305 0 O-C-N 124.044 0.84 . . . . 0.0 112.667 -168.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1584 ' ' PRO . . . . . 0.471 ' HD3' ' CZ ' ' A' 1076 ' ' TYR . 57.2 Cg_endo -71.91 171.92 15.63 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 122.522 2.148 . . . . 0.0 109.671 175.482 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 19.1 m -103.82 134.2 47.51 Favored 'General case' 0 C--N 1.306 -1.293 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.375 -175.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1586 ' ' LYS . . . . . 0.547 ' HD3' ' HB2' ' A' 1081 ' ' ASP . 35.6 ttmt -61.42 101.07 0.15 Allowed 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 172.638 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 16.3 p -73.65 6.32 3.22 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.858 -165.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1588 ' ' SER . . . . . . . . . . . . . 33.8 t 67.15 111.96 0.04 OUTLIER 'General case' 0 CA--C 1.516 -0.331 0 O-C-N 123.76 0.662 . . . . 0.0 109.488 -173.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B 1589 ' ' ARG . . . . . 0.613 HH21 ' HB3' ' A' 1082 ' ' ASN . 14.7 ttp180 -58.14 124.52 19.68 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.729 -178.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1590 ' ' LYS . . . . . 0.543 ' HD2' ' H ' ' B' 1590 ' ' LYS . 3.5 mptp? -71.31 -23.72 62.0 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.855 -173.686 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B 1591 ' ' ALA . . . . . 0.412 ' CB ' ' HG2' ' A' 1100 ' ' GLU . . . . . . . . 0 C--N 1.321 -0.643 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.149 178.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1070 ' ' ARG . . . . . 0.463 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 21.0 ttp180 . . . . . 0 N--CA 1.445 -0.694 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1071 ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' 1071 ' ' ARG . 46.2 ttt-85 -120.99 136.84 54.89 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.518 -172.79 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1072 ' ' VAL . . . . . 0.583 HG12 ' HA ' ' A' 1126 ' ' ILE . 34.9 m -130.78 152.65 37.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.903 0.382 . . . . 0.0 110.795 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1073 ' ' LYS . . . . . 0.983 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.1 OUTLIER -115.57 135.31 54.2 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 177.01 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1074 ' ' THR . . . . . 0.609 ' HA ' HG12 ' A' 1124 ' ' VAL . 51.2 p -74.66 111.51 9.93 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.491 0.662 . . . . 0.0 109.771 179.44 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1075 ' ' ILE . . . . . 0.685 HG13 ' CD2' ' A' 1076 ' ' TYR . 19.8 pt -96.21 -3.44 10.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.812 0.815 . . . . 0.0 109.943 -178.408 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1076 ' ' TYR . . . . . 0.703 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 98.6 m-85 -139.48 -179.13 5.72 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.123 -1.399 . . . . 0.0 109.848 176.39 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1077 ' ' ASP . . . . . 0.42 ' O ' ' HE1' ' B' 1583 ' ' MET . 4.5 p30 -116.27 135.3 54.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.829 174.435 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1078 ' ' CYS . . . . . 0.72 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 38.7 t -140.32 148.69 41.74 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.031 -176.76 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1079 ' ' GLN . . . . . 0.595 ' HA ' HG23 ' A' 1087 ' ' THR . 39.9 tt0 -127.25 143.37 51.26 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.745 0.783 . . . . 0.0 112.05 -178.465 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1080 ' ' ALA . . . . . 0.576 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -72.63 142.94 48.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.24 -1.345 . . . . 0.0 112.54 -174.721 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -91.2 -44.24 9.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.244 172.317 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 5.7 m120 -118.07 174.67 6.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.175 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.69 -30.12 68.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.788 0.328 . . . . 0.0 111.724 -176.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 33.7 t70 -75.84 -10.79 59.73 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.481 -173.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1085 ' ' GLU . . . . . 0.576 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 4.9 mm-40 -79.65 -175.54 4.88 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 178.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1086 ' ' LEU . . . . . 0.531 HD12 ' C ' ' A' 1116 ' ' LYS . 5.4 tt -136.61 111.55 8.89 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.978 0.418 . . . . 0.0 110.835 178.283 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1087 ' ' THR . . . . . 0.595 HG23 ' HA ' ' A' 1079 ' ' GLN . 63.8 m -80.4 122.36 26.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.062 174.661 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1088 ' ' PHE . . . . . 0.756 ' HZ ' ' HB2' ' A' 1123 ' ' PHE . 5.7 p90 -135.46 153.14 51.86 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.32 178.555 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1089 ' ' ILE . . . . . 0.654 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -117.37 158.63 17.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 174.769 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -55.64 123.38 13.88 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 123.559 0.537 . . . . 0.0 110.491 -177.384 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 117.35 -9.42 15.15 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.687 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -81.89 153.23 26.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.117 0.484 . . . . 0.0 110.91 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1093 ' ' VAL . . . . . 0.526 HG22 ' HG2' ' A' 1073 ' ' LYS . 63.2 t -119.42 127.17 75.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.551 176.399 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1094 ' ' ILE . . . . . 0.666 HG12 HD13 ' A' 1109 ' ' ILE . 20.9 mt -114.49 134.83 56.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.972 0.415 . . . . 0.0 111.093 -175.62 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 49.9 mm -93.17 117.85 37.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 173.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1096 ' ' VAL . . . . . 0.463 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 50.9 t -78.59 115.59 21.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.976 0.417 . . . . 0.0 110.483 -176.485 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1097 ' ' THR . . . . . 0.569 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 9.6 p -104.39 -12.04 16.78 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.955 -179.46 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -165.97 -178.28 38.72 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.242 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1099 ' ' GLU . . . . . 0.474 ' HG3' ' CD1' ' A' 1105 ' ' TRP . 47.7 tt0 -147.63 129.68 15.43 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -178.005 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1100 ' ' GLU . . . . . 0.773 ' HG2' ' HE ' ' B' 1589 ' ' ARG . 7.0 tp10 -103.72 -51.65 3.14 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.659 -177.121 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1101 ' ' ASP . . . . . 0.439 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 21.2 t70 -138.61 175.81 9.24 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -179.582 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -60.97 -38.62 86.58 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.119 0.485 . . . . 0.0 109.744 177.345 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1103 ' ' GLU . . . . . 0.662 ' HA ' ' HB ' ' A' 1121 ' ' VAL . 5.0 mm-40 -100.86 8.14 43.32 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.548 -177.575 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1104 ' ' TRP . . . . . 0.44 ' CD1' ' HA ' ' B' 1589 ' ' ARG . 92.7 m95 -141.59 101.89 4.07 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.048 0.451 . . . . 0.0 111.708 -176.192 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1105 ' ' TRP . . . . . 0.474 ' CD1' ' HG3' ' A' 1099 ' ' GLU . 45.5 m0 -106.34 164.08 12.31 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.787 178.717 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1106 ' ' ILE . . . . . 0.866 HG12 HG22 ' A' 1118 ' ' VAL . 54.6 mt -115.75 135.96 54.17 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.772 -175.625 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1107 ' ' GLY . . . . . 0.569 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -177.55 -158.54 20.82 Favored Glycine 0 N--CA 1.439 -1.159 0 C-N-CA 119.523 -1.322 . . . . 0.0 113.043 177.637 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 13.0 p-80 -151.11 151.47 32.0 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -178.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1109 ' ' ILE . . . . . 0.666 HD13 HG12 ' A' 1094 ' ' ILE . 47.8 mm -61.06 133.1 26.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 O-C-N 123.293 0.371 . . . . 0.0 110.395 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -50.65 -59.59 3.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 123.296 0.372 . . . . 0.0 111.86 -172.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -89.11 5.45 84.36 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.726 -0.75 . . . . 0.0 113.258 -177.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1112 ' ' GLN . . . . . 0.434 ' O ' ' HB ' ' A' 1109 ' ' ILE . 53.6 tt0 -147.56 78.97 9.77 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 121.513 0.673 . . . . 0.0 110.009 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -61.06 -26.89 83.64 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 123.841 3.027 . . . . 0.0 114.994 -172.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -73.15 -14.92 61.46 Favored 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 120.122 -0.631 . . . . 0.0 112.024 -178.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -81.91 90.28 6.44 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 166.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1116 ' ' LYS . . . . . 0.531 ' C ' HD12 ' A' 1086 ' ' LEU . 50.8 pttt -137.74 155.34 49.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.167 -171.344 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 149.07 -166.62 29.43 Favored Glycine 0 N--CA 1.44 -1.063 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.218 -178.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1118 ' ' VAL . . . . . 0.866 HG22 HG12 ' A' 1106 ' ' ILE . 16.8 t -96.54 126.29 49.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 121.105 0.478 . . . . 0.0 110.417 178.689 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1119 ' ' PHE . . . . . 0.642 ' HB2' ' HE2' ' A' 1088 ' ' PHE . 25.3 p90 -121.1 149.24 50.97 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.807 -174.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1120 ' ' PRO . . . . . 0.651 ' HA ' ' O ' ' A' 1103 ' ' GLU . 64.4 Cg_endo -79.18 122.85 5.37 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 122.406 2.07 . . . . 0.0 112.909 -178.254 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1121 ' ' VAL . . . . . 0.662 ' HB ' ' HA ' ' A' 1103 ' ' GLU . 8.3 t -58.48 -25.65 28.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 114.548 -1.205 . . . . 0.0 110.445 176.356 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1122 ' ' SER . . . . . 0.578 ' HB2' ' HD1' ' A' 1123 ' ' PHE . 0.7 OUTLIER -58.48 -29.19 66.02 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.344 178.625 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1123 ' ' PHE . . . . . 0.756 ' HB2' ' HZ ' ' A' 1088 ' ' PHE . 0.8 OUTLIER -107.35 3.27 25.16 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.959 0.409 . . . . 0.0 111.413 -173.303 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.609 HG12 ' HA ' ' A' 1074 ' ' THR . 10.8 m -129.63 162.56 36.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.757 0.313 . . . . 0.0 111.014 -177.652 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1125 ' ' HIS . . . . . 0.568 ' HB2' HD13 ' A' 1075 ' ' ILE . 80.3 t60 -126.87 132.45 50.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.866 0.365 . . . . 0.0 110.104 -178.507 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1126 ' ' ILE . . . . . 0.583 ' HA ' HG12 ' A' 1072 ' ' VAL . 1.9 mp -72.65 123.33 27.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.432 -177.538 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1127 ' ' LEU . . . . . 0.983 HD11 ' HB2' ' A' 1073 ' ' LYS . 89.2 mt -102.02 15.81 27.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.015 -177.261 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 49.0 m -89.33 19.72 4.24 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.592 0.71 . . . . 0.0 109.822 174.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 6.0 t70 . . . . . 0 C--O 1.245 0.841 0 CA-C-N 114.875 -1.057 . . . . 0.0 108.92 177.424 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 36.9 t . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 15.3 mt -66.55 121.19 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-O 121.054 0.454 . . . . 0.0 109.821 172.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1580 ' ' ILE . . . . . 0.538 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.5 mp -72.88 111.81 7.91 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.815 177.143 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 49.2 m 58.84 -154.86 0.36 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.87 0.367 . . . . 0.0 111.382 174.042 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -87.99 149.43 24.03 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 171.48 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1583 ' ' MET . . . . . 0.567 ' HA ' ' CE1' ' A' 1076 ' ' TYR . 9.3 ttm -63.59 136.22 96.61 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.061 -174.703 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1584 ' ' PRO . . . . . 0.703 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 77.2 Cg_endo -78.52 -176.12 3.1 Favored 'Trans proline' 0 N--CA 1.451 -1.023 0 C-N-CA 123.132 2.555 . . . . 0.0 110.036 175.057 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 60.8 m -116.54 141.97 47.48 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1586 ' ' LYS . . . . . . . . . . . . . 4.3 tttt -55.8 107.18 0.32 Allowed 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.472 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 6.2 m -75.13 77.06 2.29 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.331 -0.849 . . . . 0.0 109.46 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1588 ' ' SER . . . . . . . . . . . . . 49.6 m -27.9 116.62 0.09 Allowed 'General case' 0 N--CA 1.469 0.481 0 O-C-N 124.542 1.151 . . . . 0.0 113.339 -170.157 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B 1589 ' ' ARG . . . . . 0.773 ' HE ' ' HG2' ' A' 1100 ' ' GLU . 45.5 ttt180 -46.73 110.14 0.26 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.45 -1.25 . . . . 0.0 111.625 -176.344 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B 1590 ' ' LYS . . . . . 0.406 ' HD2' ' N ' ' B' 1590 ' ' LYS . 0.5 OUTLIER -69.33 -25.54 64.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.937 -170.388 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.706 -177.607 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 1070 ' ' ARG . . . . . 0.687 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 10.0 ttm180 . . . . . 0 C--O 1.221 -0.412 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -120.78 130.48 54.02 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 121.79 -0.568 . . . . 0.0 111.265 -179.251 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1072 ' ' VAL . . . . . 0.552 HG12 ' HA ' ' A' 1126 ' ' ILE . 33.9 m -129.83 143.69 40.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.034 175.201 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1073 ' ' LYS . . . . . 0.738 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.4 OUTLIER -111.77 131.44 55.32 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 177.817 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1074 ' ' THR . . . . . 0.609 ' HA ' HG12 ' A' 1124 ' ' VAL . 67.9 p -71.56 124.5 24.82 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.323 -177.211 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1075 ' ' ILE . . . . . 0.629 ' HA ' ' OE1' ' A' 1090 ' ' GLU . 12.0 pt -106.47 9.74 9.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.855 0.836 . . . . 0.0 110.256 -179.047 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1076 ' ' TYR . . . . . 0.805 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 87.3 m-85 -157.55 166.29 33.3 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 113.942 -1.481 . . . . 0.0 110.599 -175.723 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1077 ' ' ASP . . . . . 0.439 ' HA ' ' HA ' ' A' 1089 ' ' ILE . 1.0 OUTLIER -101.11 120.9 40.89 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.239 174.257 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1078 ' ' CYS . . . . . 0.591 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 50.9 t -129.54 146.52 51.35 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 110.259 -0.275 . . . . 0.0 110.259 -176.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1079 ' ' GLN . . . . . 0.578 ' HA ' HG23 ' A' 1087 ' ' THR . 51.3 tt0 -124.37 141.65 51.91 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.929 0.871 . . . . 0.0 112.142 -179.518 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1080 ' ' ALA . . . . . 0.508 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -70.66 146.0 50.25 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 113.968 -1.469 . . . . 0.0 112.528 -176.423 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 25.0 t70 -96.91 -45.44 6.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.149 171.2 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1082 ' ' ASN . . . . . 0.444 ' O ' ' HB1' ' A' 1080 ' ' ALA . 13.8 m120 -92.68 156.79 16.83 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.992 170.529 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.27 -18.62 64.58 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.463 177.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 30.1 t70 -88.37 -7.64 56.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.899 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1085 ' ' GLU . . . . . 0.508 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 42.6 mt-10 -82.18 162.37 22.45 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 175.13 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1086 ' ' LEU . . . . . 0.613 ' HB3' ' HB3' ' A' 1119 ' ' PHE . 13.4 tp -103.95 121.8 43.89 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 120.735 0.302 . . . . 0.0 111.537 -176.075 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1087 ' ' THR . . . . . 0.578 HG23 ' HA ' ' A' 1079 ' ' GLN . 61.2 m -92.68 116.71 29.26 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 170.259 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1088 ' ' PHE . . . . . 0.666 ' HE2' ' HD2' ' A' 1120 ' ' PRO . 21.7 p90 -134.4 159.12 42.04 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.777 -176.365 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1089 ' ' ILE . . . . . 0.706 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -122.73 147.55 26.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 -177.659 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1090 ' ' GLU . . . . . 0.629 ' OE1' ' HA ' ' A' 1075 ' ' ILE . 0.8 OUTLIER -60.13 129.02 39.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.124 0.487 . . . . 0.0 111.018 -175.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 109.11 -5.11 31.89 Favored Glycine 0 N--CA 1.45 -0.38 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 -175.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1092 ' ' GLU . . . . . 0.43 ' HG3' HD12 ' A' 1109 ' ' ILE . 7.0 tp10 -89.75 161.43 16.05 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.618 -0.791 . . . . 0.0 109.924 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 60.9 t -128.64 130.38 68.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.948 -176.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1094 ' ' ILE . . . . . 0.47 HG21 ' CE1' ' A' 1119 ' ' PHE . 11.0 mt -116.8 129.66 72.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.954 0.407 . . . . 0.0 110.889 -177.453 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 46.8 mm -89.4 105.72 16.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 172.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1096 ' ' VAL . . . . . 0.687 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 58.8 t -69.52 117.57 12.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.125 -179.432 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1097 ' ' THR . . . . . 0.514 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 3.6 p -100.57 -22.09 15.08 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.585 178.691 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -161.02 -175.61 32.24 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.491 -178.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -141.89 141.17 33.02 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 -178.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1100 ' ' GLU . . . . . 0.526 ' HB2' HD11 ' A' 1106 ' ' ILE . 44.5 tt0 -120.6 -41.65 2.58 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.762 0.791 . . . . 0.0 108.956 178.604 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1101 ' ' ASP . . . . . 0.693 ' OD2' ' HG2' ' B' 1590 ' ' LYS . 5.9 t70 -121.9 174.85 6.62 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.556 -1.202 . . . . 0.0 108.266 -178.746 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -72.01 -37.47 69.78 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 170.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -108.22 10.65 27.81 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.892 -174.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1104 ' ' TRP . . . . . 0.672 ' HB2' ' CB ' ' A' 1101 ' ' ASP . 73.4 m95 -141.44 109.66 5.88 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.425 0.631 . . . . 0.0 110.921 179.68 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1105 ' ' TRP . . . . . 0.584 ' CH2' HD13 ' A' 1126 ' ' ILE . 44.8 m0 -110.72 165.33 11.92 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.341 -177.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1106 ' ' ILE . . . . . 0.526 HD11 ' HB2' ' A' 1100 ' ' GLU . 42.8 mt -116.87 136.68 53.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.69 -174.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1107 ' ' GLY . . . . . 0.514 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . 179.33 -164.6 32.83 Favored Glycine 0 N--CA 1.441 -1.03 0 C-N-CA 119.887 -1.149 . . . . 0.0 112.741 178.154 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -139.25 151.12 46.25 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -176.395 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1109 ' ' ILE . . . . . 0.642 ' HB ' ' HB2' ' A' 1112 ' ' GLN . 34.2 mm -65.33 138.34 23.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.142 0.496 . . . . 0.0 110.661 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.59 -41.57 94.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.7 -178.531 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1111 ' ' GLY . . . . . 0.456 ' H ' HG22 ' A' 1109 ' ' ILE . . . -96.48 -0.87 60.82 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.504 179.1 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1112 ' ' GLN . . . . . 0.642 ' HB2' ' HB ' ' A' 1109 ' ' ILE . 78.9 mm-40 -141.15 79.64 17.7 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-O 121.075 0.464 . . . . 0.0 110.18 -178.471 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.63 -20.43 53.25 Favored 'Trans proline' 0 C--O 1.23 0.111 0 C-N-CA 123.482 2.788 . . . . 0.0 113.122 -174.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -88.95 -2.86 58.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.562 0.696 . . . . 0.0 110.269 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -104.27 90.22 3.49 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.602 174.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1116 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.25 173.28 7.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.931 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 150.2 -169.52 30.21 Favored Glycine 0 N--CA 1.443 -0.838 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.03 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1118 ' ' VAL . . . . . 0.507 HG22 HG12 ' A' 1106 ' ' ILE . 8.7 t -99.93 119.67 48.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.994 0.426 . . . . 0.0 110.156 179.007 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1119 ' ' PHE . . . . . 0.625 ' HZ ' HG22 ' A' 1096 ' ' VAL . 14.8 p90 -111.87 141.95 25.78 Favored Pre-proline 0 C--N 1.316 -0.862 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.368 -176.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1120 ' ' PRO . . . . . 0.666 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 59.3 Cg_endo -74.27 125.46 9.73 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 122.863 2.375 . . . . 0.0 111.891 177.516 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1121 ' ' VAL . . . . . 0.598 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 48.1 t -64.52 -15.87 18.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.604 0.716 . . . . 0.0 109.679 176.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1122 ' ' SER . . . . . 0.601 ' HB2' ' HD1' ' A' 1123 ' ' PHE . 1.0 OUTLIER -59.28 -31.36 69.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.8 178.683 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1123 ' ' PHE . . . . . 0.601 ' HD1' ' HB2' ' A' 1122 ' ' SER . 0.9 OUTLIER -110.41 6.56 22.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.941 0.401 . . . . 0.0 111.148 -173.939 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.609 HG12 ' HA ' ' A' 1074 ' ' THR . 18.2 m -129.57 159.3 41.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.931 -178.031 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 81.2 t60 -119.71 129.21 54.41 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1126 ' ' ILE . . . . . 0.584 HD13 ' CH2' ' A' 1105 ' ' TRP . 62.3 mt -85.87 137.77 20.26 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.705 -171.169 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1127 ' ' LEU . . . . . 0.738 HD11 ' HB2' ' A' 1073 ' ' LYS . 27.6 mt -122.45 85.77 2.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.47 0.653 . . . . 0.0 110.771 -174.43 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 8.6 t -87.9 10.96 16.98 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.008 177.293 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 35.3 t70 . . . . . 0 C--O 1.248 1.02 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.76 179.728 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 68.9 m . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 22.2 mt -56.65 123.36 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.258 0.552 . . . . 0.0 110.796 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1580 ' ' ILE . . . . . 0.541 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.5 mp -72.99 120.04 20.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.734 176.154 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 37.2 m 55.78 -147.71 0.51 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.671 0.272 . . . . 0.0 111.079 174.465 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -97.06 148.33 23.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.892 0.377 . . . . 0.0 110.038 171.064 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1583 ' ' MET . . . . . 0.482 ' HA ' ' CE1' ' A' 1076 ' ' TYR . 5.5 ttm -57.81 133.17 83.04 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.389 -176.579 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1584 ' ' PRO . . . . . 0.805 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 1.2 Cg_endo -82.46 -174.13 1.97 Allowed 'Trans proline' 0 N--CA 1.445 -1.343 0 C-N-CA 123.247 2.631 . . . . 0.0 111.268 176.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 24.0 m -125.3 139.3 53.82 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 179.449 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1586 ' ' LYS . . . . . 0.43 ' C ' ' H ' ' B' 1588 ' ' SER . 40.9 ttmt -48.89 111.22 0.44 Allowed 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.581 0.551 . . . . 0.0 110.592 179.02 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 6.3 m -74.63 17.8 0.19 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.773 -175.043 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B 1588 ' ' SER . . . . . 0.43 ' H ' ' C ' ' B' 1586 ' ' LYS . 16.0 m 66.31 143.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.957 0.884 . . . . 0.0 111.594 -177.109 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1589 ' ' ARG . . . . . 0.512 ' HD2' ' OE1' ' A' 1100 ' ' GLU . 7.3 ttp180 -90.74 120.59 31.91 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 173.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1590 ' ' LYS . . . . . 0.693 ' HG2' ' OD2' ' A' 1101 ' ' ASP . 2.9 mmtt -76.24 -21.63 56.13 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -175.198 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.396 172.197 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 1070 ' ' ARG . . . . . 0.577 ' HG3' ' HB2' ' A' 1128 ' ' SER . 54.0 ttp180 . . . . . 0 C--O 1.224 -0.257 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1071 ' ' ARG . . . . . 0.418 ' HG2' HD13 ' A' 1095 ' ' ILE . 70.3 mtt180 -105.98 143.98 33.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.169 0.509 . . . . 0.0 112.057 -177.152 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1072 ' ' VAL . . . . . 0.512 HG12 ' HA ' ' A' 1126 ' ' ILE . 30.7 m -130.14 143.98 39.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.215 -0.902 . . . . 0.0 108.86 169.562 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1073 ' ' LYS . . . . . 0.561 ' HG2' HG22 ' A' 1093 ' ' VAL . 0.1 OUTLIER -113.2 132.72 55.38 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.108 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1074 ' ' THR . . . . . 0.609 ' HA ' HG12 ' A' 1124 ' ' VAL . 44.4 p -73.71 120.5 19.39 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.247 0.546 . . . . 0.0 110.813 -176.273 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1075 ' ' ILE . . . . . 0.569 HG13 ' CD2' ' A' 1076 ' ' TYR . 17.1 pt -100.82 -3.49 9.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.458 -178.735 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1076 ' ' TYR . . . . . 0.766 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 94.5 m-85 -142.15 170.7 15.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.808 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1077 ' ' ASP . . . . . 0.442 ' HA ' ' HA ' ' A' 1089 ' ' ILE . 21.3 m-20 -99.51 109.45 21.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.354 174.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1078 ' ' CYS . . . . . 0.549 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 40.9 t -115.51 137.9 51.59 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.485 -177.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1079 ' ' GLN . . . . . 0.607 ' HA ' HG23 ' A' 1087 ' ' THR . 45.8 tt0 -124.59 145.68 49.47 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.91 0.862 . . . . 0.0 111.827 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1080 ' ' ALA . . . . . 0.643 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -88.44 144.14 26.55 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.41 -1.268 . . . . 0.0 111.508 -176.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 38.1 t70 -103.53 -27.31 12.44 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 173.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 14.6 m120 -110.83 151.3 27.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.05 175.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -65.37 -20.93 66.61 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.765 -175.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 30.5 t70 -85.13 -12.82 51.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1085 ' ' GLU . . . . . 0.643 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 72.7 mt-10 -87.66 153.47 21.35 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.256 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1086 ' ' LEU . . . . . 0.468 HD23 ' HB3' ' A' 1119 ' ' PHE . 16.0 tp -97.51 132.66 42.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.427 -178.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1087 ' ' THR . . . . . 0.607 HG23 ' HA ' ' A' 1079 ' ' GLN . 84.9 m -100.86 120.89 40.8 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 171.267 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1088 ' ' PHE . . . . . 0.545 ' CE1' ' HD2' ' A' 1120 ' ' PRO . 20.2 p90 -142.74 134.18 26.35 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.334 -177.25 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1089 ' ' ILE . . . . . 0.461 ' O ' HD12 ' A' 1089 ' ' ILE . 2.0 pp -97.72 159.14 3.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.002 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -58.68 122.94 14.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.155 -178.327 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 116.59 -7.22 17.99 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.519 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1092 ' ' GLU . . . . . 0.416 ' HA ' ' OE1' ' A' 1092 ' ' GLU . 3.9 mm-40 -85.9 156.03 20.69 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.278 0.561 . . . . 0.0 111.727 177.719 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1093 ' ' VAL . . . . . 0.561 HG22 ' HG2' ' A' 1073 ' ' LYS . 60.4 t -119.41 130.35 74.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.055 175.446 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1094 ' ' ILE . . . . . 0.797 HG12 HG12 ' A' 1109 ' ' ILE . 29.7 mt -116.7 134.42 60.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.333 -177.727 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1095 ' ' ILE . . . . . 0.418 HD13 ' HG2' ' A' 1071 ' ' ARG . 47.5 mm -88.53 110.15 20.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 175.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1096 ' ' VAL . . . . . 0.539 HG22 ' HZ ' ' A' 1119 ' ' PHE . 22.7 t -78.69 114.6 19.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.781 -176.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1097 ' ' THR . . . . . 0.593 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 3.3 p -98.73 -21.85 16.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.209 179.007 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -161.02 -169.08 23.79 Favored Glycine 0 N--CA 1.443 -0.857 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1099 ' ' GLU . . . . . 0.602 ' HA ' ' HA ' ' A' 1105 ' ' TRP . 0.2 OUTLIER -157.25 150.53 23.85 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.478 0.656 . . . . 0.0 109.78 175.378 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1100 ' ' GLU . . . . . 0.85 ' HG2' ' HE ' ' B' 1589 ' ' ARG . 7.6 tp10 -107.72 -50.48 3.06 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.053 -175.635 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1101 ' ' ASP . . . . . 0.518 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 29.4 t70 -125.76 172.94 9.4 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.373 -1.285 . . . . 0.0 107.604 176.553 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -63.0 -32.71 74.12 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.706 0.765 . . . . 0.0 109.116 175.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -102.72 1.57 34.59 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.318 -1.31 . . . . 0.0 111.34 -175.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1104 ' ' TRP . . . . . 0.518 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 77.9 m95 -135.91 99.52 4.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.134 -0.354 . . . . 0.0 111.234 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1105 ' ' TRP . . . . . 0.602 ' HA ' ' HA ' ' A' 1099 ' ' GLU . 39.7 m0 -100.98 162.61 12.77 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.505 -178.483 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 28.5 mt -119.79 140.35 44.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.83 -176.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1107 ' ' GLY . . . . . 0.593 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -178.4 -162.21 27.7 Favored Glycine 0 N--CA 1.44 -1.099 0 C-N-CA 119.299 -1.429 . . . . 0.0 113.245 175.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -138.09 137.25 37.57 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1109 ' ' ILE . . . . . 0.797 HG12 HG12 ' A' 1094 ' ' ILE . 6.7 mt -65.43 141.04 18.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-O 121.396 0.617 . . . . 0.0 112.243 -173.699 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -71.28 125.7 27.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.79 -175.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1111 ' ' GLY . . . . . 0.418 ' O ' ' HD3' ' A' 1113 ' ' PRO . . . 95.55 -40.93 2.55 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.791 -0.718 . . . . 0.0 111.508 -177.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1112 ' ' GLN . . . . . 0.457 ' HB3' ' HD3' ' A' 1115 ' ' ARG . 1.5 mp0 -115.89 81.77 10.07 Favored Pre-proline 0 C--N 1.327 -0.399 0 N-CA-C 110.508 -0.182 . . . . 0.0 110.508 177.724 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1113 ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' 1111 ' ' GLY . 18.6 Cg_exo -67.73 -3.22 9.94 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.904 2.403 . . . . 0.0 112.069 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -76.03 -27.56 57.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.114 175.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1115 ' ' ARG . . . . . 0.457 ' HD3' ' HB3' ' A' 1112 ' ' GLN . 3.8 mpt_? -90.4 90.46 8.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.217 178.398 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1116 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.38 156.58 28.71 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 174.547 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 163.21 -168.38 37.92 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.195 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1118 ' ' VAL . . . . . 0.448 HG12 ' HE3' ' A' 1104 ' ' TRP . 13.8 t -105.84 117.33 51.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.259 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1119 ' ' PHE . . . . . 0.539 ' HZ ' HG22 ' A' 1096 ' ' VAL . 12.6 p90 -110.14 138.85 20.93 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.894 -0.593 . . . . 0.0 112.162 -176.496 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1120 ' ' PRO . . . . . 0.545 ' HD2' ' CE1' ' A' 1088 ' ' PHE . 53.9 Cg_endo -72.3 127.7 12.95 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 123.143 2.562 . . . . 0.0 112.211 175.044 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1121 ' ' VAL . . . . . 0.616 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 73.0 t -66.3 -13.48 16.09 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 121.594 0.711 . . . . 0.0 109.704 176.461 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1122 ' ' SER . . . . . 0.507 ' HB2' ' CD1' ' A' 1123 ' ' PHE . 0.9 OUTLIER -61.02 -25.84 67.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.703 178.916 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1123 ' ' PHE . . . . . 0.549 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 1.0 OUTLIER -115.39 5.79 14.66 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.854 0.359 . . . . 0.0 111.137 -175.394 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.616 ' CG2' ' HA ' ' A' 1121 ' ' VAL . 16.4 m -131.13 154.61 40.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 121.092 0.472 . . . . 0.0 111.646 -178.583 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -118.38 133.05 56.2 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 178.657 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1126 ' ' ILE . . . . . 0.512 ' HA ' HG12 ' A' 1072 ' ' VAL . 67.5 mt -83.12 129.37 37.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.094 0.474 . . . . 0.0 111.795 -171.641 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 8.0 mp -94.67 -41.64 9.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.653 -175.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 1128 ' ' SER . . . . . 0.577 ' HB2' ' HG3' ' A' 1070 ' ' ARG . 23.8 m -78.75 62.93 3.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.364 0.602 . . . . 0.0 110.515 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 12.8 t70 . . . . . 0 C--O 1.245 0.864 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.486 179.637 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 39.5 m . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 10.6 mt -71.75 123.68 26.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.279 0.561 . . . . 0.0 110.277 177.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1580 ' ' ILE . . . . . 0.422 ' O ' ' CE1' ' A' 1076 ' ' TYR . 1.6 mp -71.19 127.65 33.4 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.615 175.478 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 35.4 m 48.84 -143.72 0.47 Allowed 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 173.24 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -104.8 143.85 32.56 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 173.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1583 ' ' MET . . . . . 0.582 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 3.2 ttm -50.1 136.64 21.46 Favored Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -174.006 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1584 ' ' PRO . . . . . 0.766 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 87.3 Cg_endo -88.18 -174.84 1.22 Allowed 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 123.738 2.959 . . . . 0.0 110.999 177.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 28.0 m -126.05 135.18 51.46 Favored 'General case' 0 C--N 1.307 -1.282 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -178.417 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1586 ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -54.44 107.59 0.3 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 176.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 5.1 m -70.91 3.78 3.07 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.485 -174.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1588 ' ' SER . . . . . . . . . . . . . 26.1 t 71.93 149.38 0.09 Allowed 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.477 -178.207 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B 1589 ' ' ARG . . . . . 0.85 ' HE ' ' HG2' ' A' 1100 ' ' GLU . 38.9 ttt180 -93.05 119.29 32.13 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.796 -176.03 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1590 ' ' LYS . . . . . 0.474 ' HD2' ' H ' ' B' 1590 ' ' LYS . 7.7 mptt -65.48 -11.1 40.15 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.352 -174.403 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.59 179.397 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 1070 ' ' ARG . . . . . 0.726 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 21.8 ttm180 . . . . . 0 C--O 1.222 -0.394 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 55.0 ttt-85 -98.24 127.7 44.31 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 120.25 -0.58 . . . . 0.0 111.122 -172.328 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1072 ' ' VAL . . . . . 0.61 HG12 ' HA ' ' A' 1126 ' ' ILE . 18.7 m -128.53 152.59 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.92 176.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1073 ' ' LYS . . . . . 0.638 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.3 OUTLIER -120.36 134.27 55.3 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 177.654 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1074 ' ' THR . . . . . 0.654 ' HA ' HG12 ' A' 1124 ' ' VAL . 65.4 p -71.43 115.83 11.05 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.455 0.645 . . . . 0.0 110.275 -177.749 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1075 ' ' ILE . . . . . 0.592 HD12 ' HB ' ' B' 1580 ' ' ILE . 11.1 pt -98.27 1.2 10.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-O 121.514 0.673 . . . . 0.0 109.714 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1076 ' ' TYR . . . . . 0.691 ' HB2' ' HB3' ' A' 1123 ' ' PHE . 32.5 m-85 -146.82 172.52 13.52 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.541 -1.209 . . . . 0.0 112.005 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -107.99 114.76 28.92 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.531 -1.213 . . . . 0.0 108.398 178.186 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1078 ' ' CYS . . . . . 0.602 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 47.0 t -126.32 145.43 50.44 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.999 0.428 . . . . 0.0 110.369 -177.052 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1079 ' ' GLN . . . . . 0.579 ' HA ' HG23 ' A' 1087 ' ' THR . 65.0 tt0 -126.78 145.63 50.55 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.224 -177.707 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1080 ' ' ALA . . . . . 0.608 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -66.13 143.42 57.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.384 -1.28 . . . . 0.0 112.365 -177.509 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -86.94 -35.5 18.87 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.688 173.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -134.99 178.47 7.0 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.813 -176.393 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 22.7 t70 -61.15 -40.3 93.32 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -172.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -94.83 51.98 1.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.232 0.539 . . . . 0.0 111.619 -173.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1085 ' ' GLU . . . . . 0.608 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 9.2 mm-40 -129.35 -173.69 3.07 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 174.149 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1086 ' ' LEU . . . . . 0.772 HD23 ' HB3' ' A' 1119 ' ' PHE . 15.8 tp -124.2 123.8 41.06 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.805 0.336 . . . . 0.0 111.34 176.525 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1087 ' ' THR . . . . . 0.579 HG23 ' HA ' ' A' 1079 ' ' GLN . 88.6 m -97.13 120.66 37.9 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 170.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1088 ' ' PHE . . . . . 0.783 ' HE2' ' HD2' ' A' 1120 ' ' PRO . 19.6 p90 -133.6 152.08 51.82 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 -178.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1089 ' ' ILE . . . . . 0.667 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -118.8 157.43 20.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.974 0.416 . . . . 0.0 110.87 178.547 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -61.21 125.19 22.87 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.817 -172.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 116.08 -10.49 17.78 Favored Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.008 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -84.95 158.26 20.58 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.123 0.487 . . . . 0.0 111.377 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1093 ' ' VAL . . . . . 0.543 HG22 ' HG2' ' A' 1073 ' ' LYS . 63.3 t -121.94 125.89 73.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.073 178.212 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1094 ' ' ILE . . . . . 0.658 HG12 HG12 ' A' 1109 ' ' ILE . 44.7 mt -114.45 134.69 56.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.404 -176.13 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 51.2 mm -94.58 108.53 20.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 176.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1096 ' ' VAL . . . . . 0.726 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 99.2 t -70.19 124.53 26.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.316 -178.618 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 14.8 p -111.95 -25.78 9.23 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.119 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -148.29 -176.09 21.46 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.507 -176.338 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1099 ' ' GLU . . . . . 0.438 ' HA ' ' HA ' ' A' 1105 ' ' TRP . 18.8 tt0 -153.96 129.53 9.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.839 0.352 . . . . 0.0 110.658 -175.663 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1100 ' ' GLU . . . . . 0.477 ' HG2' HD11 ' A' 1106 ' ' ILE . 23.3 mm-40 -106.56 -50.77 3.06 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.485 0.66 . . . . 0.0 109.958 178.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1101 ' ' ASP . . . . . 0.77 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 19.6 t70 -133.55 174.37 10.5 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.738 -174.47 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -60.15 -38.86 84.41 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.328 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1103 ' ' GLU . . . . . 0.659 ' O ' ' HA ' ' A' 1120 ' ' PRO . 13.0 mt-10 -112.45 21.19 15.95 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.166 -179.359 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1104 ' ' TRP . . . . . 0.77 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 94.5 m95 -141.92 100.57 3.77 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.182 0.515 . . . . 0.0 111.395 -179.089 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1105 ' ' TRP . . . . . 0.456 ' CZ3' ' HD2' ' A' 1070 ' ' ARG . 44.9 m0 -111.35 163.89 13.51 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.992 -179.021 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1106 ' ' ILE . . . . . 0.642 HG12 HG22 ' A' 1118 ' ' VAL . 56.0 mt -115.59 137.57 48.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -177.463 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1107 ' ' GLY . . . . . 0.402 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -175.47 -168.39 35.85 Favored Glycine 0 N--CA 1.436 -1.358 0 C-N-CA 119.573 -1.298 . . . . 0.0 112.429 177.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1108 ' ' HIS . . . . . 0.466 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 20.7 p-80 -139.78 144.42 37.38 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -178.703 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1109 ' ' ILE . . . . . 0.658 HG12 HG12 ' A' 1094 ' ' ILE . 5.6 mt -70.03 141.42 17.14 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.402 -174.088 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -52.91 -62.08 1.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.78 -168.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -79.0 -25.4 59.96 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.56 -176.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -113.18 83.03 6.0 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 177.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -66.93 -22.86 47.9 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.199 2.599 . . . . 0.0 114.009 -169.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -89.09 -8.12 54.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.199 0.523 . . . . 0.0 110.656 -177.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -86.56 89.68 7.99 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 171.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1116 ' ' LYS . . . . . 0.466 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 16.3 pttp -130.13 158.58 39.28 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.787 -174.424 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 168.36 -163.23 36.99 Favored Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 -177.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1118 ' ' VAL . . . . . 0.642 HG22 HG12 ' A' 1106 ' ' ILE . 14.7 t -106.99 116.59 51.05 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 CA-C-O 121.11 0.481 . . . . 0.0 109.946 176.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1119 ' ' PHE . . . . . 0.772 ' HB3' HD23 ' A' 1086 ' ' LEU . 14.9 p90 -109.23 142.87 26.54 Favored Pre-proline 0 C--N 1.319 -0.744 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.701 -176.471 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1120 ' ' PRO . . . . . 0.783 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 62.4 Cg_endo -76.46 125.13 8.15 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.545 2.163 . . . . 0.0 112.432 176.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1121 ' ' VAL . . . . . 0.605 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 96.0 t -62.85 -19.28 22.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.746 179.12 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1122 ' ' SER . . . . . 0.53 ' HB2' ' CD1' ' A' 1123 ' ' PHE . 1.3 m -61.17 -31.32 71.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.925 -179.185 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1123 ' ' PHE . . . . . 0.691 ' HB3' ' HB2' ' A' 1076 ' ' TYR . 0.1 OUTLIER -107.0 2.84 25.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.105 0.479 . . . . 0.0 110.413 -174.073 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.654 HG12 ' HA ' ' A' 1074 ' ' THR . 16.0 m -125.43 158.33 33.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.391 179.443 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1125 ' ' HIS . . . . . 0.555 ' HB2' HD13 ' A' 1075 ' ' ILE . 82.8 t60 -120.69 131.93 54.82 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1126 ' ' ILE . . . . . 0.61 ' HA ' HG12 ' A' 1072 ' ' VAL . 2.1 mp -76.58 131.37 34.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.219 -177.485 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1127 ' ' LEU . . . . . 0.638 HD11 ' HB2' ' A' 1073 ' ' LYS . 43.3 mt -115.31 80.86 1.49 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.028 -179.458 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 32.6 m -89.47 20.41 3.92 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.543 -179.126 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 10.4 m-20 . . . . . 0 C--O 1.248 1.008 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.156 175.463 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 21.1 m . . . . . 0 N--CA 1.477 0.892 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 35.0 mt -94.18 133.94 33.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.991 0.424 . . . . 0.0 111.051 -177.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1580 ' ' ILE . . . . . 0.592 ' HB ' HD12 ' A' 1075 ' ' ILE . 1.6 mp -99.06 101.37 12.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.314 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1581 ' ' SER . . . . . 0.422 ' HB2' ' O ' ' B' 1580 ' ' ILE . 47.1 m 74.58 -140.89 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.19 -177.309 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -119.15 157.37 28.05 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 173.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1583 ' ' MET . . . . . 0.639 ' HA ' ' CE1' ' A' 1076 ' ' TYR . 31.9 ttm -42.01 119.52 2.17 Favored Pre-proline 0 C--O 1.236 0.391 0 O-C-N 123.925 0.765 . . . . 0.0 112.635 -170.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1584 ' ' PRO . . . . . 0.492 ' HD3' ' CZ ' ' A' 1076 ' ' TYR . 60.0 Cg_endo -71.75 -176.59 2.1 Favored 'Trans proline' 0 N--CA 1.454 -0.844 0 C-N-CA 123.062 2.508 . . . . 0.0 110.26 176.538 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 5.8 m -109.11 129.87 55.48 Favored 'General case' 0 N--CA 1.434 -1.23 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1586 ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -63.63 98.14 0.17 Allowed 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 174.36 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 19.9 m -71.67 77.87 0.83 Allowed 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.209 -178.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1588 ' ' SER . . . . . 0.639 ' O ' ' HD3' ' B' 1590 ' ' LYS . 4.5 m -29.48 128.03 0.1 Allowed 'General case' 0 N--CA 1.468 0.45 0 O-C-N 124.564 1.165 . . . . 0.0 113.39 -168.576 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B 1589 ' ' ARG . . . . . . . . . . . . . 15.0 ttp85 -53.02 106.1 0.15 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.293 -0.867 . . . . 0.0 112.106 -172.005 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B 1590 ' ' LYS . . . . . 0.639 ' HD3' ' O ' ' B' 1588 ' ' SER . 0.0 OUTLIER -63.4 -15.7 58.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 114.828 -1.078 . . . . 0.0 111.374 -177.582 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.679 -177.213 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 1070 ' ' ARG . . . . . 0.735 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 14.3 ttm180 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 45.1 ttt-85 -117.79 140.7 49.32 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 -177.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1072 ' ' VAL . . . . . 0.632 HG12 ' HA ' ' A' 1126 ' ' ILE . 18.4 m -133.99 154.8 38.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.772 0.32 . . . . 0.0 110.463 178.691 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1073 ' ' LYS . . . . . 0.575 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.4 OUTLIER -122.71 136.23 54.81 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 176.263 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1074 ' ' THR . . . . . 0.588 ' HA ' HG12 ' A' 1124 ' ' VAL . 48.6 p -74.82 124.26 26.51 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.799 -175.364 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1075 ' ' ILE . . . . . 0.598 HG13 ' CD2' ' A' 1076 ' ' TYR . 16.1 pt -102.23 -2.93 9.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-O 121.556 0.693 . . . . 0.0 110.114 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1076 ' ' TYR . . . . . 0.779 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 95.0 m-85 -139.8 173.74 11.22 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.927 178.353 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.61 131.13 54.13 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.662 175.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1078 ' ' CYS . . . . . 0.682 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 42.7 t -142.42 145.73 34.11 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.027 -176.657 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1079 ' ' GLN . . . . . 0.503 ' HA ' HG23 ' A' 1087 ' ' THR . 27.6 tt0 -129.01 149.44 50.83 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 121.328 0.585 . . . . 0.0 111.356 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1080 ' ' ALA . . . . . 0.489 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -60.2 131.18 50.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.781 -1.1 . . . . 0.0 112.485 -176.285 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 13.6 t70 -92.83 -24.75 18.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.009 176.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1082 ' ' ASN . . . . . 0.488 ' H ' ' HG3' ' A' 1085 ' ' GLU . 7.8 t-20 -145.67 -172.12 3.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.324 -172.161 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 20.0 t70 -61.61 -41.36 97.34 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -171.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 37.3 t70 -113.14 48.47 1.03 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.889 0.852 . . . . 0.0 110.624 -176.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1085 ' ' GLU . . . . . 0.59 ' HG2' HH21 ' B' 1589 ' ' ARG . 2.0 mm-40 -108.98 157.1 18.98 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.532 175.476 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1086 ' ' LEU . . . . . 0.564 HD23 ' HB3' ' A' 1119 ' ' PHE . 16.1 tp -105.29 129.27 53.68 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.762 0.315 . . . . 0.0 111.313 -177.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1087 ' ' THR . . . . . 0.503 HG23 ' HA ' ' A' 1079 ' ' GLN . 60.4 m -100.91 119.67 39.04 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 171.768 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1088 ' ' PHE . . . . . 0.555 ' CZ ' ' HD2' ' A' 1120 ' ' PRO . 19.4 p90 -143.06 140.45 30.94 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.271 -176.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1089 ' ' ILE . . . . . 0.492 HD12 ' HB2' ' A' 1092 ' ' GLU . 1.8 pp -104.16 158.32 5.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.0 -178.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1090 ' ' GLU . . . . . 0.472 ' HG3' ' HA ' ' B' 1579 ' ' ILE . 2.9 tm-20 -59.19 123.35 16.37 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 110.84 -1.71 28.79 Favored Glycine 0 N--CA 1.454 -0.154 0 C-N-CA 120.852 -0.689 . . . . 0.0 111.79 -177.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1092 ' ' GLU . . . . . 0.492 ' HB2' HD12 ' A' 1089 ' ' ILE . 5.4 tp10 -84.83 160.79 20.13 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.649 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 62.1 t -129.51 131.68 66.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1094 ' ' ILE . . . . . 0.481 HG21 ' CE1' ' A' 1119 ' ' PHE . 10.4 mt -122.78 133.26 69.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.06 0.457 . . . . 0.0 110.85 -176.056 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 44.9 mm -90.33 115.6 30.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 174.168 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1096 ' ' VAL . . . . . 0.735 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 46.9 t -75.61 111.66 12.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.15 0.5 . . . . 0.0 110.645 -177.279 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1097 ' ' THR . . . . . 0.545 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 64.3 p -98.08 -17.63 18.99 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.793 -178.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -169.06 -176.83 39.4 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.333 -0.937 . . . . 0.0 112.684 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -135.9 143.82 45.19 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1100 ' ' GLU . . . . . 0.491 ' HB2' HD11 ' A' 1106 ' ' ILE . 36.1 tt0 -122.54 -40.74 2.43 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.699 0.761 . . . . 0.0 109.285 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1101 ' ' ASP . . . . . 0.604 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 10.1 t70 -126.4 -167.17 1.68 Allowed 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.827 -1.079 . . . . 0.0 108.357 -179.393 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -86.98 -39.85 15.31 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 170.003 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1103 ' ' GLU . . . . . 0.435 ' O ' ' HA ' ' A' 1120 ' ' PRO . 22.6 tt0 -101.0 10.79 40.69 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 114.64 -1.163 . . . . 0.0 110.418 -177.446 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1104 ' ' TRP . . . . . 0.604 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 79.8 m95 -141.56 113.37 7.83 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.104 0.478 . . . . 0.0 111.474 -178.801 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 44.5 m0 -115.0 164.1 14.64 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.762 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1106 ' ' ILE . . . . . 0.599 HG12 HG22 ' A' 1118 ' ' VAL . 18.7 mt -115.98 143.35 26.19 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.645 -174.212 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1107 ' ' GLY . . . . . 0.545 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . 177.6 -158.14 23.17 Favored Glycine 0 N--CA 1.436 -1.361 0 C-N-CA 119.918 -1.134 . . . . 0.0 112.178 176.64 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1108 ' ' HIS . . . . . 0.4 ' HA ' ' HA ' ' A' 1116 ' ' LYS . 15.5 p80 -143.22 151.56 40.74 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 -179.132 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1109 ' ' ILE . . . . . 0.461 HD12 ' HG3' ' A' 1092 ' ' GLU . 36.9 mm -62.22 130.7 26.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.279 179.004 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -52.57 -57.16 10.86 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -170.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -82.87 0.94 89.3 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.877 -0.678 . . . . 0.0 113.182 -176.504 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -143.93 86.0 8.78 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-O 121.08 0.467 . . . . 0.0 109.893 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -60.99 -29.05 87.23 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 123.352 2.701 . . . . 0.0 113.793 -171.351 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -78.57 -9.09 59.23 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.39 -177.113 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -87.66 89.43 7.99 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 171.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1116 ' ' LYS . . . . . 0.613 ' HD3' ' H ' ' A' 1116 ' ' LYS . 0.2 OUTLIER -125.29 165.17 18.81 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.53 -176.855 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 154.82 -167.22 32.63 Favored Glycine 0 N--CA 1.441 -1.01 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1118 ' ' VAL . . . . . 0.599 HG22 HG12 ' A' 1106 ' ' ILE . 15.5 t -104.29 122.18 56.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 120.964 0.411 . . . . 0.0 110.041 178.558 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1119 ' ' PHE . . . . . 0.564 ' HB3' HD23 ' A' 1086 ' ' LEU . 12.2 p90 -110.4 140.35 22.4 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.903 -178.199 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1120 ' ' PRO . . . . . 0.555 ' HD2' ' CZ ' ' A' 1088 ' ' PHE . 58.4 Cg_endo -73.42 123.17 8.48 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.741 2.294 . . . . 0.0 111.944 176.537 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1121 ' ' VAL . . . . . 0.559 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 57.4 t -62.48 -19.35 22.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.999 178.106 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.96 -22.82 67.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.886 177.726 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1123 ' ' PHE . . . . . 0.682 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.7 OUTLIER -111.48 2.02 17.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.88 0.371 . . . . 0.0 111.136 -176.274 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.588 HG12 ' HA ' ' A' 1074 ' ' THR . 17.0 m -129.53 165.5 29.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.035 0.445 . . . . 0.0 111.27 -178.114 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 64.4 t60 -126.12 130.55 51.27 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.929 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1126 ' ' ILE . . . . . 0.632 ' HA ' HG12 ' A' 1072 ' ' VAL . 2.0 mp -73.87 132.56 33.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.472 -176.695 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1127 ' ' LEU . . . . . 0.575 HD11 ' HB2' ' A' 1073 ' ' LYS . 71.1 mt -124.05 59.93 1.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.045 0.45 . . . . 0.0 110.976 -177.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 6.0 p -87.36 8.25 25.3 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 122.026 0.917 . . . . 0.0 109.473 173.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 35.2 t70 . . . . . 0 C--O 1.247 0.965 0 CA-C-N 114.224 -1.353 . . . . 0.0 109.853 -179.486 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 62.8 m . . . . . 0 N--CA 1.477 0.886 0 CA-C-O 120.513 0.197 . . . . 0.0 110.691 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B 1579 ' ' ILE . . . . . 0.472 ' HA ' ' HG3' ' A' 1090 ' ' GLU . 37.6 mt -68.14 122.95 20.39 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 C-N-CA 120.309 -0.556 . . . . 0.0 109.827 175.749 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1580 ' ' ILE . . . . . 0.47 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.7 mp -70.4 119.6 16.81 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 175.28 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 74.1 m 54.62 -161.28 0.15 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 171.253 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -85.41 155.68 21.17 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.339 168.529 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1583 ' ' MET . . . . . 0.448 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 2.9 ttm -60.7 135.61 92.45 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -175.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1584 ' ' PRO . . . . . 0.779 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 86.5 Cg_endo -80.17 -175.59 2.78 Favored 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 123.301 2.667 . . . . 0.0 110.413 173.776 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 9.5 m -110.09 134.85 51.75 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 -177.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1586 ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -65.97 101.47 0.68 Allowed 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 173.437 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 16.3 t -76.49 4.17 9.74 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.767 -169.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1588 ' ' SER . . . . . . . . . . . . . 21.8 m 67.12 155.5 0.1 Allowed 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.363 0.601 . . . . 0.0 110.445 -174.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1589 ' ' ARG . . . . . 0.59 HH21 ' HG2' ' A' 1085 ' ' GLU . 2.5 mtt180 -86.77 131.68 34.06 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 176.423 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B 1590 ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -76.94 -14.55 59.85 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 -175.309 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.26 0 CA-C-N 114.922 -1.035 . . . . 0.0 111.238 176.231 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 1070 ' ' ARG . . . . . 0.529 ' HD3' ' CZ3' ' A' 1105 ' ' TRP . 33.2 ttm180 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 121.472 0.653 . . . . 0.0 110.377 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1071 ' ' ARG . . . . . 0.455 ' HG3' HD13 ' A' 1095 ' ' ILE . 43.5 ttt180 -127.79 149.99 50.02 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.03 -0.987 . . . . 0.0 108.644 -175.471 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1072 ' ' VAL . . . . . 0.586 HG12 ' HA ' ' A' 1126 ' ' ILE . 29.9 m -137.04 151.51 27.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.137 0.494 . . . . 0.0 110.806 177.254 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1073 ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -116.36 137.8 51.86 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 177.134 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1074 ' ' THR . . . . . 0.561 ' HA ' HG12 ' A' 1124 ' ' VAL . 43.3 p -82.21 124.9 30.33 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.146 0.498 . . . . 0.0 110.572 -176.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1075 ' ' ILE . . . . . 0.662 HG13 ' CD2' ' A' 1076 ' ' TYR . 22.4 pt -106.55 0.68 10.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.588 -177.382 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1076 ' ' TYR . . . . . 0.766 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 90.1 m-85 -141.79 171.51 13.96 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.858 -1.064 . . . . 0.0 111.199 179.354 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1077 ' ' ASP . . . . . 0.402 ' HA ' ' HA ' ' A' 1089 ' ' ILE . 19.3 m-20 -103.79 105.1 15.21 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 115.485 -0.78 . . . . 0.0 108.924 177.589 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1078 ' ' CYS . . . . . 0.611 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 50.8 t -118.69 143.21 47.0 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-O 121.212 0.53 . . . . 0.0 110.598 -175.736 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1079 ' ' GLN . . . . . 0.543 ' HA ' HG23 ' A' 1087 ' ' THR . 50.7 tt0 -129.44 143.28 50.77 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.891 178.497 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1080 ' ' ALA . . . . . . . . . . . . . . . -55.86 127.06 28.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.993 -174.439 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1081 ' ' ASP . . . . . 0.55 ' HB2' ' HE2' ' B' 1586 ' ' LYS . 28.1 t70 -76.84 -49.03 16.71 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.364 177.52 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -109.69 -171.22 1.8 Allowed 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 172.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 20.9 t70 -74.27 -32.38 62.9 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.905 0.383 . . . . 0.0 111.371 -178.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 36.9 t70 -80.24 -13.77 58.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.689 -171.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -79.54 166.52 21.85 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.892 0.377 . . . . 0.0 110.862 177.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 17.6 tp -104.74 140.51 37.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.216 -178.174 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1087 ' ' THR . . . . . 0.543 HG23 ' HA ' ' A' 1079 ' ' GLN . 89.8 m -102.77 116.62 32.93 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 172.663 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1088 ' ' PHE . . . . . 0.66 ' CE1' ' HD2' ' A' 1120 ' ' PRO . 25.1 p90 -140.18 135.48 32.47 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.128 -176.607 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1089 ' ' ILE . . . . . 0.717 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -103.48 159.49 4.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.189 -175.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1090 ' ' GLU . . . . . 0.43 ' HG3' ' HA ' ' B' 1579 ' ' ILE . 3.0 tm-20 -59.4 126.45 27.7 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 -177.121 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 106.01 -0.21 38.57 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.879 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -89.68 161.92 15.86 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.098 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 60.8 t -128.84 131.59 68.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -178.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1094 ' ' ILE . . . . . 0.52 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 18.3 mt -118.79 136.11 57.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 121.073 0.463 . . . . 0.0 110.949 -177.277 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1095 ' ' ILE . . . . . 0.455 HD13 ' HG3' ' A' 1071 ' ' ARG . 48.0 mm -93.81 115.28 32.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 173.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 21.4 t -76.9 118.63 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.015 0.436 . . . . 0.0 110.48 -176.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 33.6 p -97.09 -22.04 17.01 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.839 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -170.33 -178.54 41.24 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.699 178.079 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 21.6 mp0 -133.64 139.5 46.53 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1100 ' ' GLU . . . . . 0.702 ' HB2' HD11 ' A' 1106 ' ' ILE . 36.7 tt0 -120.94 -44.05 2.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.559 0.695 . . . . 0.0 109.507 -178.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1101 ' ' ASP . . . . . 0.698 ' OD2' ' HG2' ' B' 1590 ' ' LYS . 8.9 t70 -113.85 -171.29 1.87 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.575 -1.193 . . . . 0.0 107.84 177.542 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1102 ' ' GLN . . . . . 0.572 ' HG3' ' HG3' ' A' 1103 ' ' GLU . 28.9 pt20 -91.99 -31.11 15.73 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 173.075 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1103 ' ' GLU . . . . . 0.572 ' HG3' ' HG3' ' A' 1102 ' ' GLN . 36.5 mt-10 -104.35 9.78 35.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.638 178.137 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1104 ' ' TRP . . . . . 0.655 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 83.6 m95 -141.78 111.19 6.45 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 121.53 0.681 . . . . 0.0 111.615 -177.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1105 ' ' TRP . . . . . 0.529 ' CZ3' ' HD3' ' A' 1070 ' ' ARG . 40.9 m0 -115.26 163.26 15.93 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.211 -179.548 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1106 ' ' ILE . . . . . 0.702 HD11 ' HB2' ' A' 1100 ' ' GLU . 3.4 mp -114.49 140.76 33.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 -175.375 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -177.89 -159.03 22.02 Favored Glycine 0 N--CA 1.433 -1.512 0 C-N-CA 119.735 -1.222 . . . . 0.0 111.856 175.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1108 ' ' HIS . . . . . 0.488 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 24.0 p80 -144.79 152.95 41.11 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1109 ' ' ILE . . . . . 0.407 ' CD1' HG12 ' A' 1094 ' ' ILE . 26.1 mm -61.4 140.06 19.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 179.417 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -60.22 -57.63 11.96 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.243 -176.083 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -73.23 -26.04 71.6 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 121.083 -0.579 . . . . 0.0 112.913 -179.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -120.2 84.36 33.96 Favored Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 178.185 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -66.47 -20.0 54.6 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.235 2.624 . . . . 0.0 113.201 -173.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -79.27 -14.55 58.96 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.941 0.4 . . . . 0.0 110.572 -178.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -93.85 93.65 8.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.096 0.475 . . . . 0.0 109.884 177.479 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1116 ' ' LYS . . . . . 0.488 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 0.0 OUTLIER -121.52 166.83 13.59 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.431 -177.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 158.8 -172.35 35.6 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.434 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1118 ' ' VAL . . . . . . . . . . . . . 17.8 t -101.93 116.27 45.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.233 0.539 . . . . 0.0 110.151 178.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1119 ' ' PHE . . . . . 0.438 ' CE1' HG21 ' A' 1094 ' ' ILE . 16.2 p90 -106.08 139.78 20.61 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.587 -176.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1120 ' ' PRO . . . . . 0.66 ' HD2' ' CE1' ' A' 1088 ' ' PHE . 41.4 Cg_endo -72.74 123.4 8.96 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 122.508 2.139 . . . . 0.0 112.699 176.603 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1121 ' ' VAL . . . . . 0.601 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 68.5 t -60.32 -19.99 19.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 114.812 -1.085 . . . . 0.0 110.568 176.308 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1122 ' ' SER . . . . . 0.536 ' HB2' ' HD1' ' A' 1123 ' ' PHE . 4.6 m -60.19 -27.3 67.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.766 178.172 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1123 ' ' PHE . . . . . 0.611 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.5 OUTLIER -110.6 3.48 19.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.793 0.33 . . . . 0.0 111.047 -173.613 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 1124 ' ' VAL . . . . . 0.601 ' CG2' ' HA ' ' A' 1121 ' ' VAL . 13.2 m -129.05 168.56 22.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.09 0.471 . . . . 0.0 111.62 -177.72 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 24.7 t60 -129.4 138.15 51.33 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.548 -0.751 . . . . 0.0 108.988 -178.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1126 ' ' ILE . . . . . 0.586 ' HA ' HG12 ' A' 1072 ' ' VAL . 1.8 mp -82.06 123.22 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.509 0.671 . . . . 0.0 111.722 -172.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 9.7 mp -112.64 88.71 2.89 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.984 0.897 . . . . 0.0 110.858 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 61.8 m -152.4 22.4 0.63 Allowed 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 114.387 -1.279 . . . . 0.0 108.368 177.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 19.9 t70 . . . . . 0 C--O 1.243 0.753 0 CA-C-N 114.237 -1.347 . . . . 0.0 109.409 -174.94 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 28.4 m . . . . . 0 N--CA 1.479 0.985 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B 1579 ' ' ILE . . . . . 0.43 ' HA ' ' HG3' ' A' 1090 ' ' GLU . 33.0 mt -64.68 127.53 25.64 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.371 0 CA-C-O 121.256 0.55 . . . . 0.0 110.324 178.352 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1580 ' ' ILE . . . . . 0.535 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.7 mp -80.74 108.39 14.05 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.639 175.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 39.1 m 61.02 -154.52 0.36 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.333 0.587 . . . . 0.0 112.067 171.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -88.98 161.37 16.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.344 171.24 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1583 ' ' MET . . . . . 0.598 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 4.5 ttm -68.36 138.95 91.81 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -173.428 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1584 ' ' PRO . . . . . 0.766 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 78.6 Cg_endo -84.8 -175.72 2.19 Favored 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 123.492 2.795 . . . . 0.0 111.326 175.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 27.3 m -111.9 132.27 54.84 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 -179.176 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1586 ' ' LYS . . . . . 0.55 ' HE2' ' HB2' ' A' 1081 ' ' ASP . 2.5 tmmt? -59.79 103.05 0.18 Allowed 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 175.515 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 15.6 t -74.26 4.14 6.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.785 -1.098 . . . . 0.0 113.723 -164.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1588 ' ' SER . . . . . . . . . . . . . 25.1 m 68.35 141.43 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.05 0.452 . . . . 0.0 111.617 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B 1589 ' ' ARG . . . . . 0.497 ' HG2' ' CE2' ' A' 1104 ' ' TRP . 2.7 mtm180 -85.31 133.76 34.14 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 173.731 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1590 ' ' LYS . . . . . 0.698 ' HG2' ' OD2' ' A' 1101 ' ' ASP . 27.2 mmtt -78.6 -13.15 59.97 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 -176.844 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.327 177.637 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 45.6 t . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 120.679 0.276 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 1070 ' ' ARG . . . . . 0.643 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 29.2 ttm180 -96.49 137.1 36.08 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1071 ' ' ARG . . . . . 0.533 ' HB3' ' HB2' ' A' 1127 ' ' LEU . 37.9 ttt180 -127.83 142.53 51.26 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -174.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1072 ' ' VAL . . . . . 0.574 HG12 ' HA ' ' A' 1126 ' ' ILE . 29.3 m -136.46 144.66 32.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.028 0.442 . . . . 0.0 110.454 175.048 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1073 ' ' LYS . . . . . 0.672 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.1 OUTLIER -111.6 128.17 55.96 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 177.546 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1074 ' ' THR . . . . . 0.576 ' HA ' HG12 ' A' 1124 ' ' VAL . 42.4 p -70.85 118.29 13.44 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.479 0.657 . . . . 0.0 110.283 -177.065 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1075 ' ' ILE . . . . . 0.65 HG13 ' CD2' ' A' 1076 ' ' TYR . 14.8 pt -101.48 -4.19 9.31 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.375 -177.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1076 ' ' TYR . . . . . 0.778 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 97.5 m-85 -139.61 175.38 9.62 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.05 177.658 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1077 ' ' ASP . . . . . 0.52 ' HA ' ' HA ' ' A' 1089 ' ' ILE . 7.0 m-20 -108.92 109.38 20.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.51 177.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1078 ' ' CYS . . . . . 0.655 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 32.6 t -121.34 147.86 45.12 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.873 0.368 . . . . 0.0 110.522 -177.182 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1079 ' ' GLN . . . . . 0.657 ' HA ' HG23 ' A' 1087 ' ' THR . 19.4 tt0 -124.37 141.78 51.81 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.777 0.798 . . . . 0.0 111.75 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1080 ' ' ALA . . . . . 0.489 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -76.01 139.11 41.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.339 -1.301 . . . . 0.0 111.481 -177.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -84.27 -41.47 16.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.689 176.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 15.6 m120 -119.55 -174.96 2.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.664 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -70.48 -17.92 62.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.106 0.479 . . . . 0.0 110.743 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1084 ' ' ASP . . . . . 0.516 ' HB2' ' OE2' ' A' 1085 ' ' GLU . 10.1 m-20 -72.1 -36.71 69.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.081 -174.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1085 ' ' GLU . . . . . 0.516 ' OE2' ' HB2' ' A' 1084 ' ' ASP . 5.8 mp0 -86.5 159.62 19.24 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.608 -172.358 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1086 ' ' LEU . . . . . 0.444 HD12 ' CA ' ' A' 1116 ' ' LYS . 8.8 tt -108.81 116.36 31.84 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.275 -178.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1087 ' ' THR . . . . . 0.657 HG23 ' HA ' ' A' 1079 ' ' GLN . 57.6 m -78.36 125.08 28.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.237 176.399 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1088 ' ' PHE . . . . . 0.739 ' HE2' ' HD2' ' A' 1120 ' ' PRO . 48.6 p90 -140.17 139.9 35.8 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.268 -178.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1089 ' ' ILE . . . . . 0.69 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -109.55 159.92 8.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 176.511 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -56.92 125.59 23.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 123.626 0.579 . . . . 0.0 110.407 -174.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 116.6 -13.74 15.19 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.277 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -76.44 154.21 34.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.119 0.485 . . . . 0.0 110.809 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1093 ' ' VAL . . . . . 0.544 HG22 ' HG2' ' A' 1073 ' ' LYS . 61.1 t -123.6 124.5 69.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 177.034 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1094 ' ' ILE . . . . . 0.749 HG12 HD13 ' A' 1109 ' ' ILE . 20.2 mt -115.56 132.89 63.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 120.958 0.409 . . . . 0.0 110.83 -174.421 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1095 ' ' ILE . . . . . 0.433 HD13 ' HG3' ' A' 1071 ' ' ARG . 48.0 mm -89.98 111.13 22.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 172.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1096 ' ' VAL . . . . . 0.643 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 48.9 t -74.47 113.74 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.671 -177.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 17.4 p -105.91 -8.34 17.71 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -177.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -164.61 -178.84 38.32 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.387 -0.911 . . . . 0.0 112.879 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -143.78 140.42 29.9 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1100 ' ' GLU . . . . . 0.58 ' HG2' HD11 ' A' 1106 ' ' ILE . 58.2 mm-40 -116.58 -52.47 2.56 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.603 0.716 . . . . 0.0 109.565 177.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1101 ' ' ASP . . . . . 0.728 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 19.6 t70 -122.26 174.74 6.79 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 114.523 -1.217 . . . . 0.0 108.265 178.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -66.2 -39.1 89.42 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-O 121.414 0.625 . . . . 0.0 109.505 175.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -105.89 12.17 30.98 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.41 -0.813 . . . . 0.0 111.169 -175.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1104 ' ' TRP . . . . . 0.728 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 71.9 m95 -141.55 107.39 5.13 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.488 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 47.1 m0 -111.58 171.13 7.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.723 0.297 . . . . 0.0 110.881 -176.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1106 ' ' ILE . . . . . 0.705 HG12 HG22 ' A' 1118 ' ' VAL . 55.4 mt -115.93 138.38 46.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.962 -178.438 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -173.47 -169.69 36.13 Favored Glycine 0 N--CA 1.441 -0.987 0 C-N-CA 119.924 -1.132 . . . . 0.0 112.593 176.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1108 ' ' HIS . . . . . 0.546 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 19.7 p-80 -142.55 148.73 38.06 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.749 HD13 HG12 ' A' 1094 ' ' ILE . 41.2 mm -62.88 137.21 24.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.063 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -53.04 -62.5 1.62 Allowed 'General case' 0 C--N 1.322 -0.616 0 O-C-N 123.252 0.345 . . . . 0.0 111.666 -173.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -84.11 -0.01 89.5 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.49 -178.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -132.12 79.2 67.25 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-O 120.86 0.362 . . . . 0.0 110.303 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.91 -6.41 18.04 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 123.24 2.627 . . . . 0.0 112.79 -177.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -83.7 -21.62 32.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.148 0.499 . . . . 0.0 109.756 178.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -92.04 92.65 8.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.983 177.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1116 ' ' LYS . . . . . 0.546 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 0.0 OUTLIER -133.29 153.54 51.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.719 0.295 . . . . 0.0 110.732 178.356 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 160.42 -164.96 34.76 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1118 ' ' VAL . . . . . 0.705 HG22 HG12 ' A' 1106 ' ' ILE . 11.8 t -100.45 129.51 51.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.907 0.384 . . . . 0.0 110.624 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1119 ' ' PHE . . . . . 0.542 ' HB2' ' CE2' ' A' 1088 ' ' PHE . 27.3 p90 -127.38 147.35 61.83 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.323 -175.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1120 ' ' PRO . . . . . 0.739 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 57.7 Cg_endo -76.18 128.64 10.71 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.595 2.197 . . . . 0.0 112.62 179.371 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1121 ' ' VAL . . . . . 0.563 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 87.4 t -66.66 -18.23 23.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.513 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -25.29 68.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.875 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1123 ' ' PHE . . . . . 0.655 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.5 OUTLIER -109.35 2.49 20.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.0 0.428 . . . . 0.0 110.97 -174.566 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.576 HG12 ' HA ' ' A' 1074 ' ' THR . 10.6 m -126.85 164.41 27.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.973 0.415 . . . . 0.0 111.097 -179.346 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1125 ' ' HIS . . . . . 0.4 ' HB2' HD13 ' A' 1075 ' ' ILE . 62.1 t60 -123.11 128.47 50.14 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.937 -178.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1126 ' ' ILE . . . . . 0.574 ' HA ' HG12 ' A' 1072 ' ' VAL . 1.8 mp -70.07 123.97 25.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.4 -177.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1127 ' ' LEU . . . . . 0.672 HD11 ' HB2' ' A' 1073 ' ' LYS . 66.5 mt -98.41 54.29 1.07 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.447 -177.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 14.8 t -118.13 20.01 13.36 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 172.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 20.6 t70 . . . . . 0 C--O 1.25 1.101 0 CA-C-N 114.519 -1.219 . . . . 0.0 109.973 -175.899 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 39.5 m . . . . . 0 N--CA 1.476 0.842 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 16.9 mt -68.44 130.37 33.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.106 0.479 . . . . 0.0 110.242 176.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1580 ' ' ILE . . . . . 0.489 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.6 mp -81.92 131.54 33.58 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.479 175.163 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 6.3 t 46.59 -142.67 0.36 Allowed 'General case' 0 C--O 1.239 0.511 0 O-C-N 123.782 0.676 . . . . 0.0 112.103 174.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -106.78 152.14 24.24 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.064 -0.971 . . . . 0.0 108.764 169.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1583 ' ' MET . . . . . 0.444 ' HA ' ' CE1' ' A' 1076 ' ' TYR . 3.1 ttm -54.17 132.41 60.26 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -175.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1584 ' ' PRO . . . . . 0.778 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 88.9 Cg_endo -83.21 -176.12 2.68 Favored 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 123.189 2.593 . . . . 0.0 111.055 177.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 6.0 m -109.13 132.56 54.0 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.03 -176.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1586 ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -59.97 107.96 0.7 Allowed 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 172.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 9.2 p -67.6 -4.81 12.9 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.814 -171.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1588 ' ' SER . . . . . . . . . . . . . 68.2 m 66.8 116.88 0.03 OUTLIER 'General case' 0 CA--C 1.52 -0.206 0 O-C-N 123.848 0.718 . . . . 0.0 110.038 -173.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1589 ' ' ARG . . . . . 0.55 ' HB3' ' HG2' ' B' 1592 ' ' LYS . 39.4 ttp85 -66.87 104.59 1.38 Allowed 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.164 -174.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1590 ' ' LYS . . . . . 0.872 ' HD2' ' H ' ' B' 1590 ' ' LYS . 0.0 OUTLIER -59.49 -31.69 69.58 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.74 -176.867 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -60.4 -40.17 90.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.548 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1592 ' ' LYS . . . . . 0.55 ' HG2' ' HB3' ' B' 1589 ' ' ARG . 17.7 ptmt -96.5 144.7 26.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.108 0.48 . . . . 0.0 110.765 -174.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1593 ' ' LYS . . . . . 0.422 ' HA ' ' HD3' ' B' 1594 ' ' PRO . 13.5 mptt -109.45 136.73 20.2 Favored Pre-proline 0 C--N 1.319 -0.739 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 176.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1594 ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' B' 1593 ' ' LYS . 25.3 Cg_exo -63.56 93.29 0.17 Allowed 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.749 2.299 . . . . 0.0 111.641 178.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . -58.43 114.68 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.05 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 16.1 mm100 . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.484 -0.77 . . . . 0.0 109.686 179.768 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 34.7 m . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 1070 ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' 1070 ' ' ARG . 14.2 ttm180 -93.54 124.22 37.38 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 174.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1071 ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' 1071 ' ' ARG . 32.4 ttt180 -113.87 136.07 53.28 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.998 -172.421 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1072 ' ' VAL . . . . . 0.614 HG12 ' HA ' ' A' 1126 ' ' ILE . 33.1 m -127.52 152.36 35.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.056 0.455 . . . . 0.0 110.672 178.322 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1073 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.58 132.98 55.42 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.542 -0.911 . . . . 0.0 108.542 179.475 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1074 ' ' THR . . . . . 0.542 ' HA ' HG12 ' A' 1124 ' ' VAL . 61.8 p -76.08 124.89 28.13 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.174 0.512 . . . . 0.0 110.629 -176.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1075 ' ' ILE . . . . . 0.575 HG13 ' CD2' ' A' 1076 ' ' TYR . 17.4 pt -104.04 -3.49 9.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.363 0.601 . . . . 0.0 110.468 -177.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1076 ' ' TYR . . . . . 0.859 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 90.3 m-85 -139.21 172.82 12.27 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.936 178.512 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1077 ' ' ASP . . . . . 0.406 ' OD1' ' HB ' ' A' 1089 ' ' ILE . 23.2 m-20 -104.24 110.48 22.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.327 -0.852 . . . . 0.0 109.435 176.101 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1078 ' ' CYS . . . . . 0.548 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 25.1 t -122.02 152.06 40.16 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.888 0.375 . . . . 0.0 110.634 -176.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1079 ' ' GLN . . . . . 0.563 ' HA ' HG23 ' A' 1087 ' ' THR . 42.0 tt0 -134.6 144.52 47.95 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.008 178.44 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1080 ' ' ALA . . . . . . . . . . . . . . . -60.61 132.96 55.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.725 -1.125 . . . . 0.0 112.373 -175.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 18.9 t70 -79.17 -46.52 17.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.615 176.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -112.51 -170.28 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.175 -0.921 . . . . 0.0 108.822 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 17.0 t70 -74.45 -26.06 59.82 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.123 0.487 . . . . 0.0 110.73 177.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 32.1 t70 -82.3 -22.33 35.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.992 -172.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -76.43 160.54 29.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.981 0.419 . . . . 0.0 110.866 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1086 ' ' LEU . . . . . 0.49 ' HB3' ' HB3' ' A' 1119 ' ' PHE . 17.0 tp -98.14 142.44 29.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.13 -179.014 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1087 ' ' THR . . . . . 0.563 HG23 ' HA ' ' A' 1079 ' ' GLN . 91.1 m -107.49 119.07 38.39 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 172.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1088 ' ' PHE . . . . . 0.582 ' CE1' ' HD2' ' A' 1120 ' ' PRO . 21.6 p90 -141.31 137.59 32.54 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.503 -175.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1089 ' ' ILE . . . . . 0.701 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -106.65 157.97 6.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.416 -176.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1090 ' ' GLU . . . . . 0.657 ' HG3' HG12 ' B' 1579 ' ' ILE . 2.1 tm-20 -57.48 128.02 34.96 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 123.357 0.411 . . . . 0.0 110.241 -176.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 104.6 -1.46 42.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.771 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -89.92 161.23 16.02 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 64.4 t -126.8 128.54 71.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.945 -177.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1094 ' ' ILE . . . . . 0.537 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 19.2 mt -116.87 132.02 67.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.986 0.422 . . . . 0.0 110.486 -176.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 49.7 mm -90.53 114.68 28.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 172.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 39.2 t -75.68 116.93 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.864 0.364 . . . . 0.0 110.419 -176.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1097 ' ' THR . . . . . 0.466 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 21.0 p -103.45 -19.34 14.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.975 -179.172 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -162.85 -171.62 29.29 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.62 -179.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1099 ' ' GLU . . . . . 0.428 ' HA ' ' HA ' ' A' 1105 ' ' TRP . 2.3 tm-20 -156.51 135.77 12.12 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -177.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -120.83 -33.18 3.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.367 0.603 . . . . 0.0 109.949 -177.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1101 ' ' ASP . . . . . 0.822 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 10.1 t70 -127.74 168.57 14.91 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 177.406 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -64.24 -39.22 93.52 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 121.512 0.672 . . . . 0.0 109.455 176.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -113.24 18.95 17.5 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.757 -174.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1104 ' ' TRP . . . . . 0.822 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 59.8 m95 -142.24 109.15 5.45 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.785 177.153 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1105 ' ' TRP . . . . . 0.428 ' HA ' ' HA ' ' A' 1099 ' ' GLU . 45.8 m0 -112.01 165.94 11.67 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.011 0.434 . . . . 0.0 110.997 -175.413 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1106 ' ' ILE . . . . . 0.637 HG12 HG22 ' A' 1118 ' ' VAL . 55.4 mt -115.86 135.4 56.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.706 -176.026 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1107 ' ' GLY . . . . . 0.466 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -177.17 -164.51 30.99 Favored Glycine 0 N--CA 1.439 -1.117 0 C-N-CA 120.118 -1.039 . . . . 0.0 112.176 178.277 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1108 ' ' HIS . . . . . 0.492 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 14.1 p-80 -142.94 151.44 40.94 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 -178.188 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.836 ' HB ' ' HB2' ' A' 1112 ' ' GLN . 30.0 mm -65.12 135.43 28.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.245 0.545 . . . . 0.0 109.578 178.071 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -61.27 -38.5 86.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.939 -1.028 . . . . 0.0 112.047 -174.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -98.4 -0.12 58.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.938 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1112 ' ' GLN . . . . . 0.836 ' HB2' ' HB ' ' A' 1109 ' ' ILE . 35.0 mt-30 -134.74 73.44 67.1 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -178.237 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -60.97 -32.04 92.02 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 123.056 2.504 . . . . 0.0 113.3 -170.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -80.47 -8.01 59.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.131 0.491 . . . . 0.0 110.687 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1115 ' ' ARG . . . . . 0.45 ' HD2' ' OE1' ' A' 1112 ' ' GLN . 89.6 mtt180 -94.73 90.02 5.93 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 174.262 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1116 ' ' LYS . . . . . 0.492 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 0.0 OUTLIER -126.33 156.3 40.66 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.861 179.195 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 167.56 -167.01 39.7 Favored Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1118 ' ' VAL . . . . . 0.637 HG22 HG12 ' A' 1106 ' ' ILE . 11.7 t -100.98 117.69 46.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.135 0.493 . . . . 0.0 110.454 179.475 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1119 ' ' PHE . . . . . 0.49 ' HB3' ' HB3' ' A' 1086 ' ' LEU . 22.2 p90 -110.34 142.0 25.1 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.403 -177.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1120 ' ' PRO . . . . . 0.582 ' HD2' ' CE1' ' A' 1088 ' ' PHE . 55.5 Cg_endo -74.03 129.32 13.13 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.566 2.177 . . . . 0.0 112.213 176.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1121 ' ' VAL . . . . . 0.56 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 61.1 t -66.42 -14.73 18.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.681 0.753 . . . . 0.0 109.84 177.326 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1122 ' ' SER . . . . . 0.596 ' OG ' ' HB2' ' B' 1587 ' ' SER . 1.1 m -61.22 -27.43 68.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.986 178.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1123 ' ' PHE . . . . . 0.561 ' HD1' ' HB2' ' A' 1122 ' ' SER . 0.9 OUTLIER -111.4 3.02 17.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.101 0.477 . . . . 0.0 110.931 -174.464 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.56 ' CG2' ' HA ' ' A' 1121 ' ' VAL . 17.5 m -129.09 171.97 16.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.08 0.467 . . . . 0.0 111.092 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 19.8 t60 -136.0 138.84 42.65 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1126 ' ' ILE . . . . . 0.614 ' HA ' HG12 ' A' 1072 ' ' VAL . 2.6 mp -84.26 127.65 39.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.047 0.451 . . . . 0.0 111.144 -175.066 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 9.8 mp -102.1 100.19 10.4 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.641 0.734 . . . . 0.0 110.214 177.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 12.8 p -109.87 32.1 5.34 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.289 176.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 29.7 t70 . . . . . 0 C--O 1.246 0.921 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.224 -174.879 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 75.5 m . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B 1579 ' ' ILE . . . . . 0.657 HG12 ' HG3' ' A' 1090 ' ' GLU . 12.4 mt -78.47 127.4 38.78 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.394 0 CA-C-O 121.057 0.456 . . . . 0.0 110.085 176.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1580 ' ' ILE . . . . . 0.4 ' O ' ' CE1' ' A' 1076 ' ' TYR . 1.7 mp -84.75 120.06 34.67 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.247 175.294 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 10.8 t 56.61 -154.75 0.33 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.476 0.655 . . . . 0.0 111.97 169.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -96.28 161.4 13.96 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 170.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1583 ' ' MET . . . . . 0.483 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 1.0 OUTLIER -55.47 134.73 70.51 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -174.655 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B 1584 ' ' PRO . . . . . 0.859 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 64.7 Cg_endo -85.04 -176.03 2.25 Favored 'Trans proline' 0 N--CA 1.451 -1.016 0 C-N-CA 123.099 2.532 . . . . 0.0 110.935 177.065 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 10.9 m -104.76 136.46 44.23 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -178.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1586 ' ' LYS . . . . . 0.411 ' HB2' ' HE3' ' B' 1586 ' ' LYS . 20.7 ttmt -50.64 115.24 1.39 Allowed 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 172.265 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1587 ' ' SER . . . . . 0.596 ' HB2' ' OG ' ' A' 1122 ' ' SER . 24.2 t -58.93 -16.16 16.41 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 123.713 0.633 . . . . 0.0 112.365 -171.062 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1588 ' ' SER . . . . . . . . . . . . . 66.8 m 62.7 95.88 0.04 OUTLIER 'General case' 0 C--O 1.232 0.134 0 CA-C-O 121.311 0.577 . . . . 0.0 110.029 -175.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1589 ' ' ARG . . . . . 0.734 ' HB3' ' HG2' ' B' 1592 ' ' LYS . 11.5 ttp180 -57.9 124.94 20.95 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.372 -174.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1590 ' ' LYS . . . . . 0.683 ' HD2' ' H ' ' B' 1590 ' ' LYS . 0.0 OUTLIER -74.8 -6.55 49.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.684 0.754 . . . . 0.0 109.421 -177.462 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -119.97 39.25 3.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.515 170.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1592 ' ' LYS . . . . . 0.734 ' HG2' ' HB3' ' B' 1589 ' ' ARG . 4.6 mmmt -60.65 131.57 51.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.607 -178.043 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1593 ' ' LYS . . . . . 0.637 ' HD3' HH21 ' B' 1589 ' ' ARG . 33.7 mtpt -104.2 103.6 39.39 Favored Pre-proline 0 N--CA 1.446 -0.667 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.322 177.691 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1594 ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -88.88 44.64 0.81 Allowed 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 123.089 2.526 . . . . 0.0 111.834 -178.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . -79.62 165.67 22.67 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.258 -176.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 117.866 -1.064 . . . . 0.0 111.009 178.254 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 61.2 t . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 120.905 0.383 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A 1070 ' ' ARG . . . . . 0.541 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 38.7 ttm180 -118.11 140.68 49.42 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1071 ' ' ARG . . . . . 0.443 HH11 ' HD2' ' A' 1071 ' ' ARG . 41.9 ttm105 -137.53 130.34 30.15 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.864 0.364 . . . . 0.0 111.055 -178.411 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1072 ' ' VAL . . . . . 0.564 HG12 ' HA ' ' A' 1126 ' ' ILE . 33.4 m -118.4 152.99 20.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.272 176.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1073 ' ' LYS . . . . . 0.425 ' HB2' HD22 ' A' 1127 ' ' LEU . 0.1 OUTLIER -118.33 133.07 56.2 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.054 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1074 ' ' THR . . . . . 0.567 ' HA ' HG12 ' A' 1124 ' ' VAL . 66.0 p -76.32 125.47 29.24 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 -175.015 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1075 ' ' ILE . . . . . 0.475 ' O ' ' HA ' ' B' 1579 ' ' ILE . 15.4 pt -100.73 -1.26 9.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.772 0.796 . . . . 0.0 109.582 179.272 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1076 ' ' TYR . . . . . 0.757 ' CE1' ' HA ' ' B' 1583 ' ' MET . 26.1 m-85 -144.97 175.72 10.01 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.02 -1.446 . . . . 0.0 110.262 -179.156 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1077 ' ' ASP . . . . . 0.476 ' HB2' HG22 ' A' 1089 ' ' ILE . 2.0 p-10 -118.48 125.72 50.5 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 175.078 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1078 ' ' CYS . . . . . 0.666 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 49.0 t -133.39 145.31 50.21 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.379 -175.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1079 ' ' GLN . . . . . 0.626 ' HA ' HG23 ' A' 1087 ' ' THR . 44.4 tt0 -122.48 144.93 48.76 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.192 -177.439 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1080 ' ' ALA . . . . . 0.428 ' HA ' ' HB3' ' A' 1085 ' ' GLU . . . -45.29 128.41 7.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.397 -1.274 . . . . 0.0 113.21 -173.042 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 29.5 t70 -74.93 -50.99 14.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.269 -1.332 . . . . 0.0 109.136 174.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1082 ' ' ASN . . . . . 0.443 ' HA ' HD22 ' A' 1082 ' ' ASN . 7.7 m120 -129.89 -168.24 1.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.602 171.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 38.7 t70 -62.24 -33.19 74.11 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -177.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 16.0 t70 -83.8 -11.07 57.58 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 120.935 0.397 . . . . 0.0 111.966 -173.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1085 ' ' GLU . . . . . 0.428 ' HB3' ' HA ' ' A' 1080 ' ' ALA . 10.4 mp0 -79.35 152.76 30.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.226 0.536 . . . . 0.0 111.311 178.197 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1086 ' ' LEU . . . . . 0.444 HD12 ' C ' ' A' 1116 ' ' LYS . 6.8 tt -107.57 124.08 49.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.951 -178.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1087 ' ' THR . . . . . 0.626 HG23 ' HA ' ' A' 1079 ' ' GLN . 60.3 m -85.05 128.52 34.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.763 176.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1088 ' ' PHE . . . . . 0.619 ' HE2' ' HD2' ' A' 1120 ' ' PRO . 13.6 p90 -137.99 158.31 44.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.119 178.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1089 ' ' ILE . . . . . 0.517 HD12 ' HB2' ' A' 1092 ' ' GLU . 1.7 pp -123.0 153.68 28.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.388 178.177 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1090 ' ' GLU . . . . . 0.67 ' HG3' HG12 ' B' 1579 ' ' ILE . 2.4 tm-20 -56.12 123.87 15.93 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 123.257 0.348 . . . . 0.0 110.197 -177.077 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 107.18 -1.51 35.19 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.882 -178.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1092 ' ' GLU . . . . . 0.517 ' HB2' HD12 ' A' 1089 ' ' ILE . 3.2 tp10 -84.92 160.1 20.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.024 0.44 . . . . 0.0 110.063 178.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 98.4 t -126.04 118.16 50.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.146 -176.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1094 ' ' ILE . . . . . 0.572 HG12 HD13 ' A' 1109 ' ' ILE . 17.4 mt -112.06 128.15 68.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.181 0.515 . . . . 0.0 110.93 -175.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1095 ' ' ILE . . . . . 0.4 HD11 ' OE2' ' A' 1110 ' ' GLU . 43.4 mm -87.93 115.04 27.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 172.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1096 ' ' VAL . . . . . 0.541 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 17.8 t -82.32 128.96 38.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 -175.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 14.2 p -106.16 -20.33 13.44 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.297 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -172.77 -171.4 37.51 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.494 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -135.13 157.24 47.42 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 179.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1100 ' ' GLU . . . . . 0.462 ' CD ' HH21 ' B' 1589 ' ' ARG . 31.5 tt0 -131.1 -36.6 1.31 Allowed 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.737 0.78 . . . . 0.0 109.035 173.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1101 ' ' ASP . . . . . 0.656 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 29.3 t70 -128.71 171.17 12.46 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 173.037 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -69.57 -30.87 68.75 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 121.676 0.751 . . . . 0.0 109.457 175.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -110.32 5.08 21.35 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.96 -174.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1104 ' ' TRP . . . . . 0.656 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 78.3 m95 -137.29 106.09 5.91 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.478 177.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1105 ' ' TRP . . . . . 0.44 ' CZ3' ' HD3' ' A' 1070 ' ' ARG . 44.6 m0 -106.67 166.62 10.44 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.04 -177.341 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1106 ' ' ILE . . . . . 0.795 HG12 HG22 ' A' 1118 ' ' VAL . 36.6 mt -116.77 135.26 57.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.171 -175.18 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -177.88 -165.12 32.31 Favored Glycine 0 N--CA 1.442 -0.959 0 C-N-CA 119.913 -1.137 . . . . 0.0 112.867 177.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1108 ' ' HIS . . . . . 0.548 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 10.8 p-80 -145.52 148.55 33.34 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -178.098 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.616 ' HB ' ' HB2' ' A' 1112 ' ' GLN . 36.3 mm -63.5 134.8 28.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.135 -179.117 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1110 ' ' GLU . . . . . 0.4 ' OE2' HD11 ' A' 1095 ' ' ILE . 37.3 tt0 -56.82 -57.01 14.35 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 -171.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -82.81 -9.69 84.16 Favored Glycine 0 CA--C 1.517 0.214 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.61 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1112 ' ' GLN . . . . . 0.616 ' HB2' ' HB ' ' A' 1109 ' ' ILE . 18.9 mp0 -121.1 74.86 29.08 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -63.85 -26.27 67.42 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 123.101 2.534 . . . . 0.0 113.603 -169.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -83.1 -6.59 59.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.811 0.339 . . . . 0.0 111.261 -177.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 74.0 mtt-85 -94.5 91.71 6.75 Favored 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 174.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1116 ' ' LYS . . . . . 0.548 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 0.2 OUTLIER -131.3 161.56 32.05 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.698 -178.618 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 156.85 -160.83 30.63 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -177.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1118 ' ' VAL . . . . . 0.795 HG22 HG12 ' A' 1106 ' ' ILE . 39.8 t -106.61 133.12 52.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.896 0.379 . . . . 0.0 110.401 178.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1119 ' ' PHE . . . . . 0.585 ' HB2' ' HE2' ' A' 1088 ' ' PHE . 26.7 p90 -128.84 149.42 72.24 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.392 -175.485 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1120 ' ' PRO . . . . . 0.619 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 85.1 Cg_endo -80.61 127.93 6.64 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.692 2.261 . . . . 0.0 112.97 -178.361 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1121 ' ' VAL . . . . . 0.592 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 59.8 t -65.93 -15.87 19.61 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.25 177.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1122 ' ' SER . . . . . 0.587 ' HB2' ' HD1' ' A' 1123 ' ' PHE . 1.1 m -60.85 -31.32 70.77 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.021 179.235 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1123 ' ' PHE . . . . . 0.666 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.4 OUTLIER -108.4 4.6 24.56 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 121.057 0.456 . . . . 0.0 110.402 -174.407 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.592 ' CG2' ' HA ' ' A' 1121 ' ' VAL . 27.1 m -130.57 174.46 12.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.038 0.447 . . . . 0.0 111.684 -177.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -137.7 142.97 41.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.374 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1126 ' ' ILE . . . . . 0.564 ' HA ' HG12 ' A' 1072 ' ' VAL . 1.9 mp -83.32 123.5 38.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.708 -177.469 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1127 ' ' LEU . . . . . 0.425 HD22 ' HB2' ' A' 1073 ' ' LYS . 11.1 mp -109.73 -72.56 0.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.044 178.328 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 46.0 m 50.45 41.74 25.41 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.756 -175.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 C--O 1.248 1.004 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.045 -179.734 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 76.0 m . . . . . 0 N--CA 1.476 0.872 0 CA-C-O 120.911 0.386 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B 1579 ' ' ILE . . . . . 0.67 HG12 ' HG3' ' A' 1090 ' ' GLU . 59.5 mt -78.34 132.41 32.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.569 178.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1580 ' ' ILE . . . . . 0.528 ' O ' HG22 ' B' 1580 ' ' ILE . 1.6 mp -89.67 102.19 12.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.046 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 16.4 m 75.41 -148.54 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.59 0.756 . . . . 0.0 111.401 -176.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -117.81 151.73 36.75 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 177.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1583 ' ' MET . . . . . 0.757 ' HA ' ' CE1' ' A' 1076 ' ' TYR . 29.0 ttm -41.13 126.41 2.09 Favored Pre-proline 0 N--CA 1.472 0.663 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -165.367 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1584 ' ' PRO . . . . . 0.666 ' HD3' ' CZ ' ' A' 1076 ' ' TYR . 73.0 Cg_endo -80.46 -175.81 2.88 Favored 'Trans proline' 0 N--CA 1.445 -1.375 0 C-N-CA 123.174 2.582 . . . . 0.0 110.309 177.458 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 34.4 m -109.77 138.04 46.71 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -176.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1586 ' ' LYS . . . . . 0.414 ' C ' ' H ' ' B' 1588 ' ' SER . 22.8 ttmt -59.59 102.38 0.14 Allowed 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 174.056 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 23.4 t -70.04 5.7 1.52 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.948 -170.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1588 ' ' SER . . . . . 0.414 ' H ' ' C ' ' B' 1586 ' ' LYS . 22.6 t 67.83 140.63 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 122.069 0.938 . . . . 0.0 110.591 -177.223 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1589 ' ' ARG . . . . . 0.614 ' O ' ' HG2' ' B' 1592 ' ' LYS . 44.7 ttt180 -87.53 107.12 18.43 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 115.161 -0.927 . . . . 0.0 108.766 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1590 ' ' LYS . . . . . 0.506 ' HD2' ' H ' ' B' 1590 ' ' LYS . 5.9 mptt -69.88 -9.65 55.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.239 -168.521 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -91.18 -8.04 49.72 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.192 177.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1592 ' ' LYS . . . . . 0.614 ' HG2' ' O ' ' B' 1589 ' ' ARG . 20.5 ptmt -114.75 147.42 39.77 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 110.259 -178.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1593 ' ' LYS . . . . . . . . . . . . . 91.8 mttt -104.55 128.13 27.56 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.97 174.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1594 ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -73.59 64.84 4.71 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 122.71 2.273 . . . . 0.0 111.806 177.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . -80.0 39.46 0.44 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.583 -177.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 . . . . . 0 C--O 1.244 0.814 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 177.033 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 42.1 t . . . . . 0 N--CA 1.477 0.902 0 CA-C-O 120.887 0.375 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 1070 ' ' ARG . . . . . 0.459 ' HD3' ' CZ3' ' A' 1105 ' ' TRP . 42.8 ttm180 -91.05 138.05 31.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.225 -178.247 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -137.26 144.74 42.88 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.596 -177.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1072 ' ' VAL . . . . . 0.562 HG12 ' HA ' ' A' 1126 ' ' ILE . 28.9 m -128.1 155.0 39.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.173 175.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1073 ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' 1074 ' ' THR . 0.6 OUTLIER -118.59 132.53 56.2 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 175.743 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1074 ' ' THR . . . . . 0.597 ' HA ' HG12 ' A' 1124 ' ' VAL . 65.4 p -71.93 118.52 14.88 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.165 0.507 . . . . 0.0 110.504 -177.226 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1075 ' ' ILE . . . . . 0.546 HG13 ' CD2' ' A' 1076 ' ' TYR . 19.6 pt -97.49 -9.14 9.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.145 -177.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1076 ' ' TYR . . . . . 0.803 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 96.8 m-85 -138.49 175.79 9.26 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.825 177.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1077 ' ' ASP . . . . . 0.507 ' HA ' ' HA ' ' A' 1089 ' ' ILE . 8.0 m-20 -103.75 119.44 38.91 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.922 -1.035 . . . . 0.0 108.564 173.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1078 ' ' CYS . . . . . 0.671 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 52.1 t -129.07 137.15 51.1 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.832 0.349 . . . . 0.0 110.671 -178.101 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1079 ' ' GLN . . . . . 0.608 ' HA ' HG23 ' A' 1087 ' ' THR . 50.7 tt0 -117.88 142.87 46.85 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.568 0.699 . . . . 0.0 111.101 176.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1080 ' ' ALA . . . . . 0.774 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -88.97 166.76 13.7 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.366 -1.288 . . . . 0.0 111.846 -174.656 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -104.73 -33.26 8.52 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.195 173.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -111.22 146.04 37.65 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.279 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 35.7 t70 -63.14 -19.18 64.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.192 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 19.0 t70 -74.07 -23.73 59.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.255 0.55 . . . . 0.0 110.532 177.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1085 ' ' GLU . . . . . 0.774 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 41.6 mt-10 -90.11 156.64 18.22 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.044 -177.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1086 ' ' LEU . . . . . 0.559 ' HB3' ' HB3' ' A' 1119 ' ' PHE . 11.7 tp -97.3 122.07 39.92 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.82 0.343 . . . . 0.0 111.836 -172.511 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1087 ' ' THR . . . . . 0.608 HG23 ' HA ' ' A' 1079 ' ' GLN . 98.5 m -94.66 119.46 33.33 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 171.277 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1088 ' ' PHE . . . . . 0.676 ' HE2' ' HD2' ' A' 1120 ' ' PRO . 17.0 p90 -136.69 158.89 43.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.82 -175.522 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1089 ' ' ILE . . . . . 0.664 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -122.97 157.32 28.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 176.928 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -55.71 123.69 14.97 Favored 'General case' 0 C--O 1.237 0.413 0 O-C-N 123.457 0.473 . . . . 0.0 110.324 -176.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 116.65 -6.3 18.37 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.457 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1092 ' ' GLU . . . . . 0.419 ' HG2' HD13 ' A' 1089 ' ' ILE . 18.9 mm-40 -84.21 154.32 23.11 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.297 0.57 . . . . 0.0 111.295 177.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 97.5 t -121.46 116.92 51.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.849 -177.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1094 ' ' ILE . . . . . 0.591 HG12 HD13 ' A' 1109 ' ' ILE . 9.6 mt -111.04 128.83 67.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.902 0.382 . . . . 0.0 110.822 -174.052 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 42.5 mm -88.2 120.35 37.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 172.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 43.4 t -80.66 116.8 25.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 120.971 0.415 . . . . 0.0 110.389 -176.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1097 ' ' THR . . . . . 0.503 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 21.5 p -103.33 -17.06 15.45 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.01 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -163.51 -171.82 30.22 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.785 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -157.29 137.53 12.75 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 -176.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1100 ' ' GLU . . . . . 0.402 ' CD ' HH21 ' B' 1589 ' ' ARG . 34.9 tt0 -125.81 -36.48 2.39 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.595 0.712 . . . . 0.0 109.627 -177.232 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1101 ' ' ASP . . . . . 0.715 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 20.7 t70 -123.88 168.32 12.93 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 173.361 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -71.01 -27.96 64.06 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 122.038 0.923 . . . . 0.0 108.635 177.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -113.83 9.25 17.57 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 113.882 -1.508 . . . . 0.0 110.969 -175.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1104 ' ' TRP . . . . . 0.715 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 71.3 m95 -140.12 106.64 5.32 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-O 121.289 0.566 . . . . 0.0 110.366 176.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1105 ' ' TRP . . . . . 0.459 ' CZ3' ' HD3' ' A' 1070 ' ' ARG . 45.8 m0 -108.16 164.64 12.13 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.906 -176.101 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1106 ' ' ILE . . . . . 0.636 HG12 HG22 ' A' 1118 ' ' VAL . 46.2 mt -116.27 137.65 49.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.052 -177.068 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1107 ' ' GLY . . . . . 0.503 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -177.06 -159.62 22.63 Favored Glycine 0 N--CA 1.435 -1.381 0 C-N-CA 120.287 -0.958 . . . . 0.0 112.157 177.139 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -148.08 150.71 34.38 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.96 ' HB ' ' HB2' ' A' 1112 ' ' GLN . 32.5 mm -65.8 132.95 31.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.659 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -55.02 -51.19 67.06 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -169.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -90.37 2.06 80.36 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.415 -179.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1112 ' ' GLN . . . . . 0.96 ' HB2' ' HB ' ' A' 1109 ' ' ILE . 40.7 mt-30 -126.45 72.33 72.78 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -64.94 -26.84 58.68 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.841 2.36 . . . . 0.0 113.303 -169.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -79.05 -15.68 57.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.779 0.323 . . . . 0.0 110.995 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1115 ' ' ARG . . . . . 0.554 ' HD2' ' OE1' ' A' 1112 ' ' GLN . 99.5 mtt180 -93.69 89.66 6.29 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 177.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1116 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.52 170.25 9.86 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.491 176.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 154.73 -171.82 33.12 Favored Glycine 0 N--CA 1.441 -1.003 0 C-N-CA 120.646 -0.788 . . . . 0.0 111.948 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1118 ' ' VAL . . . . . 0.636 HG22 HG12 ' A' 1106 ' ' ILE . 12.9 t -100.9 117.27 45.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.063 0.459 . . . . 0.0 110.367 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1119 ' ' PHE . . . . . 0.559 ' HB3' ' HB3' ' A' 1086 ' ' LEU . 19.6 p90 -109.88 143.41 27.86 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.51 -176.493 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1120 ' ' PRO . . . . . 0.676 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 71.3 Cg_endo -77.57 127.14 8.69 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 122.603 2.202 . . . . 0.0 112.455 178.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1121 ' ' VAL . . . . . 0.597 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 61.6 t -66.12 -15.97 19.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.175 178.389 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1122 ' ' SER . . . . . 0.501 ' HB2' ' HD1' ' A' 1123 ' ' PHE . 3.0 m -61.8 -25.99 67.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.677 178.26 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1123 ' ' PHE . . . . . 0.671 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.8 OUTLIER -115.11 4.56 14.66 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.066 0.46 . . . . 0.0 110.869 -175.216 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.597 ' CG2' ' HA ' ' A' 1121 ' ' VAL . 20.5 m -131.2 160.72 42.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.764 -178.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 19.4 t60 -128.48 136.96 51.53 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1126 ' ' ILE . . . . . 0.562 ' HA ' HG12 ' A' 1072 ' ' VAL . 2.1 mp -75.2 124.47 33.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.021 -175.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 2.8 mp -89.22 -26.2 21.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.786 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 12.3 m -72.84 74.49 1.14 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.251 176.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 29.8 t70 . . . . . 0 C--O 1.247 0.923 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.892 -175.23 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 39.9 m . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 21.6 mt -68.34 126.38 28.08 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.405 0 CA-C-O 120.946 0.403 . . . . 0.0 110.14 176.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1580 ' ' ILE . . . . . 0.42 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.7 mp -78.23 114.03 18.28 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 174.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 75.7 m 55.62 -152.82 0.35 Allowed 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 170.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -91.3 158.32 16.63 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.848 173.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1583 ' ' MET . . . . . 0.627 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 2.1 ttm -59.84 137.83 90.36 Favored Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -174.219 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1584 ' ' PRO . . . . . 0.803 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 53.6 Cg_endo -88.69 -175.61 1.28 Allowed 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 123.592 2.861 . . . . 0.0 111.071 177.386 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 19.8 m -115.56 137.54 51.97 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -177.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1586 ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -55.05 103.53 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 172.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 24.4 t -77.75 24.9 0.21 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.931 -169.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1588 ' ' SER . . . . . . . . . . . . . 44.2 m 63.27 125.88 0.01 OUTLIER 'General case' 0 C--O 1.233 0.215 0 CA-C-O 122.072 0.939 . . . . 0.0 112.301 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1589 ' ' ARG . . . . . 0.627 ' O ' ' HG2' ' B' 1592 ' ' LYS . 63.3 ttt180 -78.01 107.77 10.8 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 174.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1590 ' ' LYS . . . . . 0.409 ' HB2' ' OD1' ' A' 1101 ' ' ASP . 35.2 mttp -77.99 -12.56 60.0 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.999 -168.098 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -88.31 -13.51 40.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.773 177.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1592 ' ' LYS . . . . . 0.627 ' HG2' ' O ' ' B' 1589 ' ' ARG . 20.7 ptmt -103.24 136.54 42.84 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 175.009 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1593 ' ' LYS . . . . . . . . . . . . . 63.0 mttp -106.01 122.71 41.47 Favored Pre-proline 0 C--N 1.313 -0.99 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.18 177.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1594 ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -66.12 84.8 0.26 Allowed 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.787 2.324 . . . . 0.0 111.731 178.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . -74.94 69.55 1.9 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.614 177.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 . . . . . 0 C--N 1.315 -0.915 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.151 -178.562 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 26.1 t . . . . . 0 N--CA 1.479 0.977 0 CA-C-O 120.79 0.328 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 34.1 ttp180 -138.98 112.11 7.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.253 0.549 . . . . 0.0 110.849 -179.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1071 ' ' ARG . . . . . 0.605 ' HG2' HD13 ' A' 1095 ' ' ILE . 85.2 mtm180 -116.21 171.26 7.93 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.855 176.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1072 ' ' VAL . . . . . 0.633 HG12 ' HA ' ' A' 1126 ' ' ILE . 17.8 m -140.62 142.68 30.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 171.201 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1073 ' ' LYS . . . . . 0.756 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.2 OUTLIER -109.56 131.23 55.26 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.603 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1074 ' ' THR . . . . . 0.689 ' HA ' HG12 ' A' 1124 ' ' VAL . 64.8 p -73.32 111.74 8.73 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.638 0.732 . . . . 0.0 110.082 -178.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1075 ' ' ILE . . . . . 0.605 HG13 ' CD2' ' A' 1076 ' ' TYR . 13.6 pt -93.69 -6.72 10.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.444 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1076 ' ' TYR . . . . . 0.749 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 96.0 m-85 -138.06 174.13 10.89 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 113.918 -1.492 . . . . 0.0 110.126 176.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1077 ' ' ASP . . . . . 0.495 ' HB2' HG22 ' A' 1089 ' ' ILE . 6.9 p-10 -107.1 129.49 54.82 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.121 172.531 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1078 ' ' CYS . . . . . 0.795 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 45.6 t -138.98 140.16 38.13 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 121.054 0.454 . . . . 0.0 110.517 -178.176 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1079 ' ' GLN . . . . . 0.645 ' HA ' HG23 ' A' 1087 ' ' THR . 2.0 mp0 -108.43 175.92 5.3 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.339 178.244 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1080 ' ' ALA . . . . . 0.512 ' HA ' ' HG2' ' A' 1085 ' ' GLU . . . -44.25 142.79 1.39 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 113.938 -1.483 . . . . 0.0 114.634 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 26.2 t0 -110.03 -19.26 13.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.44 170.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1082 ' ' ASN . . . . . 0.557 ' HB2' ' HD2' ' B' 1592 ' ' LYS . 3.5 t-20 -159.43 -166.84 1.88 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.418 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 18.4 t70 -69.22 -39.51 78.53 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.892 0.377 . . . . 0.0 111.551 -177.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 28.3 p-10 -103.63 77.4 1.48 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.645 0.736 . . . . 0.0 111.242 -174.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1085 ' ' GLU . . . . . 0.512 ' HG2' ' HA ' ' A' 1080 ' ' ALA . 0.0 OUTLIER -134.76 -173.92 3.44 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.43 0.633 . . . . 0.0 112.085 -178.202 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1086 ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' 1116 ' ' LYS . 5.9 tt -131.82 104.92 7.15 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.059 -0.973 . . . . 0.0 108.986 172.236 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1087 ' ' THR . . . . . 0.645 HG23 ' HA ' ' A' 1079 ' ' GLN . 29.9 m -79.91 133.99 36.26 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.846 178.08 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1088 ' ' PHE . . . . . 0.651 ' HE2' ' HB2' ' A' 1119 ' ' PHE . 7.4 p90 -145.82 164.01 33.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.381 0.61 . . . . 0.0 111.954 -174.183 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1089 ' ' ILE . . . . . 0.589 HD12 ' HG2' ' A' 1092 ' ' GLU . 1.8 pp -129.38 161.75 38.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.333 -0.848 . . . . 0.0 110.077 176.197 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -55.1 124.28 16.35 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.546 0.529 . . . . 0.0 110.567 -178.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 116.7 -13.67 14.95 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.209 178.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1092 ' ' GLU . . . . . 0.589 ' HG2' HD12 ' A' 1089 ' ' ILE . 62.9 mm-40 -73.75 152.06 40.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.364 0.602 . . . . 0.0 110.975 177.062 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1093 ' ' VAL . . . . . 0.529 HG22 ' HG2' ' A' 1073 ' ' LYS . 58.5 t -127.34 125.64 66.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.575 179.259 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1094 ' ' ILE . . . . . 0.664 HG12 HD13 ' A' 1109 ' ' ILE . 18.4 mt -119.08 136.34 56.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.151 0.5 . . . . 0.0 112.115 -171.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1095 ' ' ILE . . . . . 0.605 HD13 ' HG2' ' A' 1071 ' ' ARG . 16.6 mm -84.81 116.6 28.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 170.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 27.5 t -77.97 110.04 13.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1097 ' ' THR . . . . . 0.576 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 17.1 p -100.3 -16.27 17.75 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.312 -177.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -167.43 -175.37 37.32 Favored Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 120.362 -0.923 . . . . 0.0 112.872 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1099 ' ' GLU . . . . . 0.417 ' HG3' ' CD1' ' A' 1105 ' ' TRP . 16.7 tt0 -143.48 144.63 32.07 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -122.91 -50.61 1.93 Allowed 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 176.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1101 ' ' ASP . . . . . 0.776 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 23.7 t70 -117.5 168.69 10.15 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 176.185 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -59.34 -41.01 88.2 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 121.327 0.584 . . . . 0.0 109.967 177.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -111.06 16.04 21.34 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.649 -173.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1104 ' ' TRP . . . . . 0.776 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 75.9 m95 -140.36 104.5 4.8 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.284 0.564 . . . . 0.0 110.55 177.214 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1105 ' ' TRP . . . . . 0.417 ' CD1' ' HG3' ' A' 1099 ' ' GLU . 45.2 m0 -107.56 166.74 10.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.517 -177.178 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 53.9 mt -116.36 137.5 49.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.834 -174.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1107 ' ' GLY . . . . . 0.576 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -176.72 -166.62 34.08 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 119.418 -1.372 . . . . 0.0 113.494 177.642 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1108 ' ' HIS . . . . . 0.603 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 16.3 p-80 -143.02 149.49 38.34 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.664 HD13 HG12 ' A' 1094 ' ' ILE . 50.9 mm -58.01 138.38 19.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 123.202 0.314 . . . . 0.0 110.305 -179.025 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1110 ' ' GLU . . . . . 0.508 ' HA ' HG12 ' A' 1095 ' ' ILE . 16.1 tt0 -48.2 -56.48 7.82 Favored 'General case' 0 N--CA 1.463 0.201 0 O-C-N 123.619 0.575 . . . . 0.0 111.695 -171.388 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -102.14 25.68 26.93 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.354 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1112 ' ' GLN . . . . . 0.471 ' HB3' ' HB ' ' A' 1109 ' ' ILE . 0.4 OUTLIER -147.72 81.59 8.39 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.096 0.474 . . . . 0.0 110.049 -178.828 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -70.62 -7.62 21.74 Favored 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 123.519 2.812 . . . . 0.0 112.967 -177.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -87.26 -19.06 28.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.355 0.598 . . . . 0.0 109.878 178.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1115 ' ' ARG . . . . . 0.426 ' O ' ' HA ' ' A' 1108 ' ' HIS . 97.2 mtt180 -93.06 95.15 9.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.024 174.529 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1116 ' ' LYS . . . . . 0.603 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 0.0 OUTLIER -141.86 145.46 34.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.129 0.49 . . . . 0.0 112.063 -179.338 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1117 ' ' GLY . . . . . 0.424 ' HA3' ' O ' ' A' 1085 ' ' GLU . . . 168.41 -161.99 35.74 Favored Glycine 0 N--CA 1.446 -0.641 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.483 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1118 ' ' VAL . . . . . 0.483 ' H ' ' HA ' ' A' 1085 ' ' GLU . 2.6 t -99.34 129.21 50.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1119 ' ' PHE . . . . . 0.651 ' HB2' ' HE2' ' A' 1088 ' ' PHE . 22.9 p90 -126.09 146.79 57.02 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.987 -177.608 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1120 ' ' PRO . . . . . 0.533 ' HG3' ' SG ' ' A' 1078 ' ' CYS . 72.3 Cg_endo -78.67 128.29 8.51 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.52 2.146 . . . . 0.0 112.342 -179.382 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1121 ' ' VAL . . . . . 0.588 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 57.7 t -66.5 -16.69 21.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.215 179.118 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1122 ' ' SER . . . . . 0.428 ' HB2' ' CD1' ' A' 1123 ' ' PHE . 0.0 OUTLIER -63.36 -27.37 69.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.757 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1123 ' ' PHE . . . . . 0.795 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.5 OUTLIER -109.77 3.9 21.27 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.289 0.566 . . . . 0.0 110.72 -174.717 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.689 HG12 ' HA ' ' A' 1074 ' ' THR . 12.4 m -129.12 169.41 20.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.505 -179.449 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 72.2 t60 -132.57 135.42 45.92 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1126 ' ' ILE . . . . . 0.633 ' HA ' HG12 ' A' 1072 ' ' VAL . 1.9 mp -76.66 134.57 28.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.427 0.632 . . . . 0.0 111.988 -173.033 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1127 ' ' LEU . . . . . 0.756 HD11 ' HB2' ' A' 1073 ' ' LYS . 33.9 mt -126.28 86.92 2.59 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.893 -1.049 . . . . 0.0 109.647 178.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 20.1 m -85.95 0.95 51.91 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.951 0.881 . . . . 0.0 109.657 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 C--O 1.249 1.03 0 CA-C-N 114.086 -1.415 . . . . 0.0 108.769 175.903 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 57.8 m . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 6.8 mt -67.18 125.94 25.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.128 0.489 . . . . 0.0 110.061 174.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1580 ' ' ILE . . . . . 0.439 HG22 ' OH ' ' A' 1076 ' ' TYR . 1.6 mp -76.68 132.76 32.33 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.198 175.409 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 6.2 t 44.55 -138.59 0.39 Allowed 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 121.497 0.665 . . . . 0.0 112.717 172.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -111.87 152.05 28.4 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.822 171.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1583 ' ' MET . . . . . 0.455 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 3.6 ttm -50.83 133.43 28.51 Favored Pre-proline 0 C--N 1.328 -0.339 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 -173.492 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1584 ' ' PRO . . . . . 0.749 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 95.2 Cg_endo -83.49 -176.04 2.58 Favored 'Trans proline' 0 N--CA 1.449 -1.134 0 C-N-CA 123.295 2.664 . . . . 0.0 110.413 175.232 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 7.5 m -105.71 128.25 53.56 Favored 'General case' 0 C--N 1.308 -1.198 0 C-N-CA 120.692 -0.403 . . . . 0.0 109.935 -177.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1586 ' ' LYS . . . . . 0.426 ' C ' ' H ' ' B' 1588 ' ' SER . 4.0 tmmt? -63.43 97.12 0.13 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 170.057 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 13.3 m -72.42 21.0 0.07 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.286 -0.87 . . . . 0.0 113.133 -166.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1588 ' ' SER . . . . . 0.426 ' H ' ' C ' ' B' 1586 ' ' LYS . 17.3 m 65.08 125.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 123.854 0.721 . . . . 0.0 111.046 -178.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1589 ' ' ARG . . . . . 0.644 ' HB3' ' HG3' ' B' 1592 ' ' LYS . 16.4 ttt180 -73.31 105.54 4.75 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.558 0.694 . . . . 0.0 109.442 176.343 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1590 ' ' LYS . . . . . . . . . . . . . 33.0 mttm -76.53 -6.96 54.11 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.327 -1.306 . . . . 0.0 111.665 -165.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -126.63 31.38 5.35 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.731 177.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1592 ' ' LYS . . . . . 0.644 ' HG3' ' HB3' ' B' 1589 ' ' ARG . 28.6 mtmm -51.1 106.69 0.14 Allowed 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -177.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1593 ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -87.71 161.34 45.09 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.508 177.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1594 ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -86.56 52.94 2.85 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 122.256 1.971 . . . . 0.0 110.68 168.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . 64.73 73.42 0.42 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.927 -174.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.306 -179.912 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 1069 ' ' VAL . . . . . 0.783 HG23 ' H ' ' A' 1070 ' ' ARG . 2.3 m . . . . . 0 N--CA 1.479 0.991 0 CA-C-O 120.596 0.236 . . . . 0.0 111.423 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1070 ' ' ARG . . . . . 0.783 ' H ' HG23 ' A' 1069 ' ' VAL . 26.9 ttm180 -133.09 131.12 40.19 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -178.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1071 ' ' ARG . . . . . 0.47 ' HG2' HD13 ' A' 1095 ' ' ILE . 65.8 mtt85 -113.29 150.0 33.11 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.935 0.398 . . . . 0.0 111.303 178.349 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1072 ' ' VAL . . . . . 0.6 HG12 ' HA ' ' A' 1126 ' ' ILE . 29.1 m -135.08 136.85 51.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.272 169.518 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1073 ' ' LYS . . . . . 0.752 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.1 OUTLIER -105.25 134.85 47.68 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 178.138 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1074 ' ' THR . . . . . 0.588 ' HA ' HG12 ' A' 1124 ' ' VAL . 70.5 p -75.51 118.5 18.44 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 121.231 0.539 . . . . 0.0 110.266 -177.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1075 ' ' ILE . . . . . 0.624 HG13 ' CD2' ' A' 1076 ' ' TYR . 21.4 pt -98.14 -7.73 9.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.967 0.889 . . . . 0.0 109.291 179.414 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1076 ' ' TYR . . . . . 0.772 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 96.6 m-85 -136.93 176.41 8.73 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 113.721 -1.581 . . . . 0.0 109.278 176.427 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -115.26 131.19 57.01 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 173.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1078 ' ' CYS . . . . . 0.756 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 36.7 t -139.12 147.92 42.57 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.794 -175.088 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1079 ' ' GLN . . . . . 0.553 ' HG2' HG23 ' A' 1087 ' ' THR . 83.6 mt-30 -119.74 155.75 31.87 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.469 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1080 ' ' ALA . . . . . . . . . . . . . . . -59.97 128.57 37.53 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 114.588 -1.187 . . . . 0.0 112.238 -173.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1081 ' ' ASP . . . . . 0.413 ' H ' ' HG3' ' A' 1085 ' ' GLU . 36.8 t70 -77.51 -23.59 50.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.013 177.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1082 ' ' ASN . . . . . 0.408 ' H ' ' HG2' ' A' 1085 ' ' GLU . 2.9 t-20 -150.58 -174.96 4.92 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.777 -1.101 . . . . 0.0 108.976 -173.687 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -69.09 -38.98 79.28 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -175.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -94.32 17.23 13.21 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -171.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1085 ' ' GLU . . . . . 0.413 ' HG3' ' H ' ' A' 1081 ' ' ASP . 11.0 mm-40 -89.54 -173.7 4.06 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 176.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1086 ' ' LEU . . . . . 0.444 HD12 ' CA ' ' A' 1116 ' ' LYS . 8.0 tt -132.56 118.41 19.19 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.072 0.463 . . . . 0.0 110.702 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1087 ' ' THR . . . . . 0.553 HG23 ' HG2' ' A' 1079 ' ' GLN . 96.7 m -81.62 136.75 35.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.453 177.102 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1088 ' ' PHE . . . . . 0.616 ' HE2' ' HB2' ' A' 1119 ' ' PHE . 20.8 p90 -147.67 154.75 41.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.617 0.246 . . . . 0.0 110.953 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1089 ' ' ILE . . . . . 0.66 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -121.64 154.49 25.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 179.644 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1090 ' ' GLU . . . . . 0.515 ' HG3' HG12 ' B' 1579 ' ' ILE . 2.2 tm-20 -54.96 124.64 17.37 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.348 0.405 . . . . 0.0 110.816 -177.232 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 108.55 -1.06 32.46 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.727 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1092 ' ' GLU . . . . . 0.536 ' HG3' HD12 ' A' 1109 ' ' ILE . 5.5 tp10 -93.17 161.4 14.44 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.938 0.399 . . . . 0.0 110.07 -178.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1093 ' ' VAL . . . . . 0.429 HG22 ' HG2' ' A' 1073 ' ' LYS . 69.6 t -127.1 126.44 68.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.819 -175.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1094 ' ' ILE . . . . . 0.542 HG12 HD13 ' A' 1109 ' ' ILE . 13.8 mt -116.51 131.39 69.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.001 0.429 . . . . 0.0 110.831 -177.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1095 ' ' ILE . . . . . 0.47 HD13 ' HG2' ' A' 1071 ' ' ARG . 43.9 mm -89.4 113.11 25.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 174.077 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1096 ' ' VAL . . . . . 0.544 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 42.9 t -77.14 110.95 13.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.085 0.469 . . . . 0.0 110.612 -177.193 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1097 ' ' THR . . . . . 0.469 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 11.1 p -101.59 -13.28 17.91 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.124 -177.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -166.7 -176.25 37.59 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.529 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -146.05 148.74 32.99 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 -179.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -130.03 -45.16 1.15 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.458 0.647 . . . . 0.0 109.421 175.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1101 ' ' ASP . . . . . 0.591 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 13.4 t70 -114.59 177.18 4.74 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 176.288 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -74.53 -36.66 63.15 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 172.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1103 ' ' GLU . . . . . 0.587 ' OE1' ' HB2' ' B' 1587 ' ' SER . 21.9 tt0 -102.96 2.39 35.0 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 114.364 -1.289 . . . . 0.0 110.601 -174.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1104 ' ' TRP . . . . . 0.591 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 74.3 m95 -136.15 108.72 7.44 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.446 0.641 . . . . 0.0 110.9 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 46.9 m0 -109.7 167.99 9.74 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.364 -178.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1106 ' ' ILE . . . . . 0.63 HG12 HG22 ' A' 1118 ' ' VAL . 57.2 mt -116.09 136.16 53.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.608 -177.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1107 ' ' GLY . . . . . 0.469 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -172.64 -162.67 25.16 Favored Glycine 0 N--CA 1.436 -1.36 0 C-N-CA 119.776 -1.202 . . . . 0.0 112.426 178.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 26.8 p-80 -147.93 143.22 27.19 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -177.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.542 HD13 HG12 ' A' 1094 ' ' ILE . 30.1 mm -58.62 136.67 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 177.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -71.14 -39.92 71.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.038 -175.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -71.15 -41.61 59.79 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.23 178.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1112 ' ' GLN . . . . . 0.515 ' HG2' HG21 ' A' 1109 ' ' ILE . 4.3 pt20 -125.37 80.55 65.19 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-O 122.219 1.009 . . . . 0.0 109.885 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1113 ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' 1112 ' ' GLN . 24.1 Cg_endo -61.37 -13.28 28.02 Favored 'Trans proline' 0 N--CA 1.472 0.234 0 C-N-CA 123.955 3.104 . . . . 0.0 114.115 -171.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -80.95 -11.02 59.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.98 0.419 . . . . 0.0 110.238 -178.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 65.2 mtt-85 -90.31 98.22 11.65 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 169.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1116 ' ' LYS . . . . . 0.65 ' HD3' ' H ' ' A' 1116 ' ' LYS . 0.0 OUTLIER -129.85 159.5 36.39 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.081 -179.472 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 156.61 -162.97 31.9 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1118 ' ' VAL . . . . . 0.63 HG22 HG12 ' A' 1106 ' ' ILE . 4.7 t -101.21 130.65 50.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.965 0.412 . . . . 0.0 110.613 -179.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1119 ' ' PHE . . . . . 0.616 ' HB2' ' HE2' ' A' 1088 ' ' PHE . 28.8 p90 -126.88 146.1 56.17 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.192 -176.705 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1120 ' ' PRO . . . . . 0.555 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 42.9 Cg_endo -75.06 120.36 6.02 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 122.668 2.245 . . . . 0.0 112.601 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1121 ' ' VAL . . . . . 0.555 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 81.3 t -61.79 -18.22 18.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.364 177.41 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 8.3 t -62.28 -25.17 67.7 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.572 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1123 ' ' PHE . . . . . 0.756 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.5 OUTLIER -109.09 1.3 20.36 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.209 0.528 . . . . 0.0 111.123 -174.758 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.588 HG12 ' HA ' ' A' 1074 ' ' THR . 16.2 m -128.17 171.51 16.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.044 -177.284 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 33.3 t60 -133.85 131.86 39.7 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.173 0.511 . . . . 0.0 110.345 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1126 ' ' ILE . . . . . 0.6 ' HA ' HG12 ' A' 1072 ' ' VAL . 1.8 mp -68.71 135.61 28.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.847 -177.183 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1127 ' ' LEU . . . . . 0.752 HD11 ' HB2' ' A' 1073 ' ' LYS . 32.1 mt -114.55 52.04 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.461 -177.073 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 32.5 p -92.01 5.62 49.46 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.736 0.779 . . . . 0.0 110.098 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 22.3 t70 . . . . . 0 C--O 1.25 1.111 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.361 -179.59 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 73.3 m . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B 1579 ' ' ILE . . . . . 0.515 HG12 ' HG3' ' A' 1090 ' ' GLU . 10.2 mt -66.67 122.59 17.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-O 121.013 0.435 . . . . 0.0 110.594 179.133 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1580 ' ' ILE . . . . . 0.417 HD13 ' HB ' ' A' 1075 ' ' ILE . 1.6 mp -76.06 126.36 36.69 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.16 174.535 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 49.5 m 51.07 -143.51 0.63 Allowed 'General case' 0 C--N 1.323 -0.575 0 O-C-N 123.589 0.555 . . . . 0.0 112.188 172.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -108.78 160.7 15.76 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 168.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1583 ' ' MET . . . . . 0.593 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 2.2 ttm -52.07 137.65 36.99 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -172.627 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1584 ' ' PRO . . . . . 0.772 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 60.4 Cg_endo -87.9 -176.55 1.7 Allowed 'Trans proline' 0 N--CA 1.451 -1.001 0 C-N-CA 123.481 2.787 . . . . 0.0 110.57 176.125 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 7.2 m -105.22 134.0 49.06 Favored 'General case' 0 C--N 1.312 -1.032 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.744 -175.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1586 ' ' LYS . . . . . 0.406 ' C ' ' H ' ' B' 1588 ' ' SER . 20.9 ttmt -68.37 93.05 0.45 Allowed 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 167.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1587 ' ' SER . . . . . 0.587 ' HB2' ' OE1' ' A' 1103 ' ' GLU . 2.9 m -77.19 24.89 0.17 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.978 -167.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1588 ' ' SER . . . . . 0.406 ' H ' ' C ' ' B' 1586 ' ' LYS . 46.0 m 65.2 134.36 0.02 OUTLIER 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.724 0.773 . . . . 0.0 111.355 -178.281 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1589 ' ' ARG . . . . . 0.498 ' HA ' ' CD1' ' A' 1104 ' ' TRP . 6.9 ttt180 -76.55 101.05 5.51 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.661 0.744 . . . . 0.0 109.189 176.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1590 ' ' LYS . . . . . . . . . . . . . 14.9 mtmm -71.79 -25.31 61.96 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.325 -1.307 . . . . 0.0 111.742 -169.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -76.23 -13.78 60.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.706 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1592 ' ' LYS . . . . . 0.425 ' HG2' ' HB3' ' B' 1589 ' ' ARG . 12.5 ptmt -113.19 148.13 36.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.012 0.434 . . . . 0.0 110.218 178.36 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1593 ' ' LYS . . . . . 0.437 ' HA ' ' HD2' ' B' 1594 ' ' PRO . 67.4 mttm -109.2 125.03 32.38 Favored Pre-proline 0 C--N 1.318 -0.78 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.248 -179.095 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1594 ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' B' 1593 ' ' LYS . 22.6 Cg_endo -63.13 89.45 0.13 Allowed 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 122.248 1.965 . . . . 0.0 110.468 170.483 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . -47.16 141.58 4.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.438 -176.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.64 -0.695 . . . . 0.0 109.555 -179.019 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 14.2 m . . . . . 0 N--CA 1.482 1.153 0 CA-C-O 121.051 0.453 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 1070 ' ' ARG . . . . . 0.517 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 44.1 ttm180 -130.22 149.21 52.02 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 175.508 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1071 ' ' ARG . . . . . 0.56 ' HD2' HD23 ' A' 1127 ' ' LEU . 31.1 ttm180 -123.57 146.95 47.75 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 120.154 -0.618 . . . . 0.0 109.729 -178.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1072 ' ' VAL . . . . . 0.604 HG12 ' HA ' ' A' 1126 ' ' ILE . 27.0 m -132.64 145.47 34.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 173.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1073 ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' 1074 ' ' THR . 0.4 OUTLIER -111.93 131.62 55.26 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 177.402 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1074 ' ' THR . . . . . 0.593 ' HA ' HG12 ' A' 1124 ' ' VAL . 49.4 p -74.86 123.87 25.83 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.169 0.509 . . . . 0.0 110.584 -175.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1075 ' ' ILE . . . . . 0.657 HG13 ' CD2' ' A' 1076 ' ' TYR . 23.9 pt -102.02 -3.27 9.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.396 0.617 . . . . 0.0 110.776 -178.373 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1076 ' ' TYR . . . . . 0.785 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 95.5 m-85 -139.33 173.97 11.0 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.169 178.292 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1077 ' ' ASP . . . . . 0.4 ' HA ' ' HA ' ' A' 1089 ' ' ILE . 22.4 m-20 -106.27 105.1 14.97 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 177.295 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1078 ' ' CYS . . . . . 0.64 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 44.5 t -117.74 152.44 35.26 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.017 0.437 . . . . 0.0 110.644 -174.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1079 ' ' GLN . . . . . 0.585 ' HA ' HG23 ' A' 1087 ' ' THR . 29.6 tt0 -132.18 148.86 52.49 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.518 178.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1080 ' ' ALA . . . . . 0.423 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -68.01 136.15 53.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.795 -179.425 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.77 -42.87 11.66 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 177.22 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1082 ' ' ASN . . . . . 0.456 ' HB3' ' HZ3' ' B' 1592 ' ' LYS . 7.7 t-20 -109.46 -174.53 2.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.764 176.312 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 18.4 t70 -74.63 -39.37 62.15 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -172.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -87.05 14.26 7.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.986 0.422 . . . . 0.0 111.769 -170.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1085 ' ' GLU . . . . . 0.423 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 93.1 mt-10 -105.0 164.17 11.99 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.658 0.266 . . . . 0.0 110.489 -178.44 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1086 ' ' LEU . . . . . 0.572 ' HB3' ' HB3' ' A' 1119 ' ' PHE . 12.7 tp -101.26 130.62 47.43 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.016 0.436 . . . . 0.0 111.951 -172.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1087 ' ' THR . . . . . 0.585 HG23 ' HA ' ' A' 1079 ' ' GLN . 60.2 m -98.71 116.92 32.01 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 170.299 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1088 ' ' PHE . . . . . 0.528 ' HE1' ' HD2' ' A' 1120 ' ' PRO . 25.6 p90 -139.56 136.79 34.81 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.964 0.412 . . . . 0.0 110.609 -175.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1089 ' ' ILE . . . . . 0.545 HD12 ' HB2' ' A' 1092 ' ' GLU . 1.8 pp -101.43 160.53 3.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.35 -178.651 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1090 ' ' GLU . . . . . 0.41 ' HG3' ' HA ' ' B' 1579 ' ' ILE . 2.9 tm-20 -60.5 127.36 31.32 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -177.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 105.18 -1.52 40.62 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.613 -0.803 . . . . 0.0 111.9 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1092 ' ' GLU . . . . . 0.545 ' HB2' HD12 ' A' 1089 ' ' ILE . 3.9 tp10 -85.02 160.89 19.93 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.118 0.485 . . . . 0.0 110.174 179.029 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 96.6 t -128.02 120.25 53.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.326 -175.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1094 ' ' ILE . . . . . 0.542 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 10.0 mt -113.84 133.58 59.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.968 0.413 . . . . 0.0 110.956 -176.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 47.8 mm -92.5 116.62 34.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 173.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1096 ' ' VAL . . . . . 0.517 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 48.1 t -79.98 114.66 21.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.968 0.413 . . . . 0.0 110.508 -176.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1097 ' ' THR . . . . . 0.522 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 7.8 p -102.47 -19.77 14.78 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.275 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -158.76 -174.77 28.9 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.492 -0.861 . . . . 0.0 113.034 -178.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1099 ' ' GLU . . . . . 0.485 ' HG3' ' CD1' ' A' 1105 ' ' TRP . 15.2 tt0 -153.71 131.76 11.78 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 -177.549 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -117.81 -34.63 4.14 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.129 0.49 . . . . 0.0 109.927 -177.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1101 ' ' ASP . . . . . 0.604 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 23.8 t70 -134.3 171.47 14.22 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 174.508 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1102 ' ' GLN . . . . . 0.595 ' HG2' ' N ' ' A' 1103 ' ' GLU . 0.3 OUTLIER -65.8 -34.66 78.68 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.489 0.661 . . . . 0.0 109.726 -179.912 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1103 ' ' GLU . . . . . 0.595 ' N ' ' HG2' ' A' 1102 ' ' GLN . 31.3 tt0 -109.96 9.77 24.35 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.142 -175.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1104 ' ' TRP . . . . . 0.604 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 80.2 m95 -137.89 104.05 5.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.056 0.455 . . . . 0.0 110.713 179.208 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1105 ' ' TRP . . . . . 0.485 ' CD1' ' HG3' ' A' 1099 ' ' GLU . 44.8 m0 -108.13 164.13 12.57 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.491 -177.256 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1106 ' ' ILE . . . . . 0.72 HG12 HG22 ' A' 1118 ' ' VAL . 49.4 mt -116.45 136.02 54.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.042 -174.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1107 ' ' GLY . . . . . 0.522 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -177.34 -161.79 26.48 Favored Glycine 0 N--CA 1.437 -1.234 0 C-N-CA 119.961 -1.114 . . . . 0.0 112.901 177.037 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 12.4 p-80 -145.56 150.61 36.71 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -178.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.824 ' HB ' ' HB2' ' A' 1112 ' ' GLN . 44.2 mm -66.69 134.06 30.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.681 -178.505 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -70.64 114.29 8.59 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 98.1 -9.37 63.38 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.431 -175.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1112 ' ' GLN . . . . . 0.824 ' HB2' ' HB ' ' A' 1109 ' ' ILE . 39.2 mt-30 -133.61 69.09 76.56 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 177.706 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -71.42 -12.83 30.04 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 123.24 2.627 . . . . 0.0 112.396 -173.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1114 ' ' GLU . . . . . 0.483 ' HG3' ' HG3' ' A' 1115 ' ' ARG . 13.3 pt-20 -81.54 -16.27 52.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.301 0.572 . . . . 0.0 110.199 177.364 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1115 ' ' ARG . . . . . 0.483 ' HG3' ' HG3' ' A' 1114 ' ' GLU . 94.7 mtt180 -105.51 90.62 3.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.053 -179.257 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1116 ' ' LYS . . . . . 0.506 ' HD3' ' H ' ' A' 1116 ' ' LYS . 0.0 OUTLIER -125.36 161.26 27.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.451 -178.805 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 161.36 -171.36 37.35 Favored Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 120.589 -0.815 . . . . 0.0 111.923 178.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1118 ' ' VAL . . . . . 0.72 HG22 HG12 ' A' 1106 ' ' ILE . 21.6 t -98.34 121.32 48.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.021 0.438 . . . . 0.0 110.311 178.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1119 ' ' PHE . . . . . 0.572 ' HB3' ' HB3' ' A' 1086 ' ' LEU . 19.2 p90 -114.86 143.22 29.65 Favored Pre-proline 0 C--N 1.319 -0.758 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.695 -176.129 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1120 ' ' PRO . . . . . 0.528 ' HD2' ' HE1' ' A' 1088 ' ' PHE . 56.3 Cg_endo -74.54 127.19 10.81 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.699 2.266 . . . . 0.0 112.264 176.631 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1121 ' ' VAL . . . . . 0.56 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 70.8 t -66.47 -16.32 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.119 178.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -25.64 67.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.166 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1123 ' ' PHE . . . . . 0.64 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.6 OUTLIER -110.25 1.72 18.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.052 0.453 . . . . 0.0 111.007 -174.776 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.593 HG12 ' HA ' ' A' 1074 ' ' THR . 16.1 m -125.57 174.97 8.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.365 179.415 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 20.2 t60 -137.6 135.54 36.71 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1126 ' ' ILE . . . . . 0.604 ' HA ' HG12 ' A' 1072 ' ' VAL . 1.8 mp -67.58 125.3 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.787 -175.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1127 ' ' LEU . . . . . 0.56 HD23 ' HD2' ' A' 1071 ' ' ARG . 6.2 tp -104.77 -62.31 1.35 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.452 -175.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 70.9 m 53.38 65.75 1.43 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.551 -178.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 1129 ' ' ASP . . . . . 0.473 ' OD2' ' HG ' ' A' 1127 ' ' LEU . 45.6 m-20 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.842 -0.599 . . . . 0.0 109.988 175.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 64.2 m . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B 1579 ' ' ILE . . . . . 0.41 ' HA ' ' HG3' ' A' 1090 ' ' GLU . 16.7 mt -66.16 122.01 16.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.045 0.45 . . . . 0.0 110.175 179.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1580 ' ' ILE . . . . . 0.504 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.7 mp -75.58 113.52 14.54 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 174.493 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 48.7 m 56.66 -154.31 0.34 Allowed 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 170.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -91.22 158.16 16.76 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 171.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1583 ' ' MET . . . . . 0.675 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 1.5 ttm -60.19 141.0 90.97 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -173.282 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1584 ' ' PRO . . . . . 0.785 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 89.1 Cg_endo -86.73 -175.94 1.82 Allowed 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 123.559 2.839 . . . . 0.0 110.955 175.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 23.2 m -111.71 132.47 54.6 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 -176.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1586 ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -61.39 102.03 0.21 Allowed 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 170.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 8.3 t -74.51 7.89 2.65 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.214 -171.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1588 ' ' SER . . . . . . . . . . . . . 51.0 m 65.77 150.11 0.05 OUTLIER 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 121.923 0.868 . . . . 0.0 110.941 -176.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1589 ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -91.93 112.93 25.06 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.82 -175.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1590 ' ' LYS . . . . . 0.647 ' HD2' ' H ' ' B' 1590 ' ' LYS . 0.1 OUTLIER -60.79 -35.82 77.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.305 -172.078 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -85.2 32.16 0.55 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.3 0.571 . . . . 0.0 110.718 177.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1592 ' ' LYS . . . . . 0.456 ' HZ3' ' HB3' ' A' 1082 ' ' ASN . 25.5 ttmt -146.98 120.01 8.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.908 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1593 ' ' LYS . . . . . . . . . . . . . 94.6 mttt -108.21 106.06 57.84 Favored Pre-proline 0 C--N 1.319 -0.747 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 168.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1594 ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -70.75 74.45 1.73 Allowed 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 123.095 2.53 . . . . 0.0 112.438 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . -75.73 76.81 2.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.202 175.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.547 -0.739 . . . . 0.0 109.535 178.873 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 121.246 0.546 . . . . 0.0 111.265 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 1070 ' ' ARG . . . . . 0.747 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 35.1 ttm-85 -111.87 143.14 43.33 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 175.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1071 ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' 1071 ' ' ARG . 17.8 ttt180 -117.91 128.91 55.27 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.043 0.449 . . . . 0.0 111.016 -176.077 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1072 ' ' VAL . . . . . 0.653 HG12 ' HA ' ' A' 1126 ' ' ILE . 15.1 m -130.17 157.99 42.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.725 177.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1073 ' ' LYS . . . . . 0.655 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.3 OUTLIER -123.13 136.12 54.64 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1074 ' ' THR . . . . . 0.63 ' HA ' HG12 ' A' 1124 ' ' VAL . 60.3 p -74.65 117.59 16.65 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 121.332 0.587 . . . . 0.0 110.243 -178.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1075 ' ' ILE . . . . . 0.614 HG13 ' CD2' ' A' 1076 ' ' TYR . 16.0 pt -98.46 0.43 10.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 121.595 0.712 . . . . 0.0 110.137 -178.156 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1076 ' ' TYR . . . . . 0.797 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 87.8 m-85 -143.15 172.89 12.12 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.424 -1.262 . . . . 0.0 110.916 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 5.3 t70 -104.61 127.57 52.39 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 174.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1078 ' ' CYS . . . . . 0.651 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 41.1 t -140.15 147.71 40.57 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-O 120.965 0.412 . . . . 0.0 110.636 -173.089 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1079 ' ' GLN . . . . . 0.501 ' HA ' HG23 ' A' 1087 ' ' THR . 29.8 tt0 -133.44 148.6 51.77 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.923 -179.107 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1080 ' ' ALA . . . . . 0.494 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -60.27 133.82 56.46 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.724 -1.125 . . . . 0.0 112.156 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1081 ' ' ASP . . . . . 0.847 ' HB2' ' HE3' ' B' 1586 ' ' LYS . 21.0 t70 -85.63 -48.65 8.68 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 173.425 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1082 ' ' ASN . . . . . 0.408 ' O ' ' HB1' ' A' 1080 ' ' ALA . 6.2 t-20 -102.88 -177.41 3.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.331 -0.849 . . . . 0.0 108.905 173.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 17.1 t70 -72.78 -36.25 67.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 118.018 0.372 . . . . 0.0 111.022 -175.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 37.9 t70 -92.99 53.29 1.96 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.61 0.719 . . . . 0.0 110.102 -176.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1085 ' ' GLU . . . . . 0.494 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 45.5 mt-10 -133.35 153.6 51.45 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.383 174.676 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1086 ' ' LEU . . . . . 0.446 HD23 ' HB3' ' A' 1119 ' ' PHE . 15.6 tp -91.39 124.07 35.3 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.813 0.339 . . . . 0.0 111.235 -176.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1087 ' ' THR . . . . . 0.501 HG23 ' HA ' ' A' 1079 ' ' GLN . 89.7 m -94.53 116.77 29.17 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 170.421 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1088 ' ' PHE . . . . . 0.718 ' HE1' ' HD2' ' A' 1120 ' ' PRO . 32.0 p90 -136.83 144.25 43.55 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.383 -175.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1089 ' ' ILE . . . . . 0.753 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -109.89 156.59 10.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.713 -175.478 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1090 ' ' GLU . . . . . 0.621 ' HG3' HG12 ' B' 1579 ' ' ILE . 2.9 tm-20 -59.85 124.57 20.59 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.39 -176.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 108.74 -1.34 32.08 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.665 -179.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1092 ' ' GLU . . . . . 0.449 ' HG3' HD12 ' A' 1109 ' ' ILE . 4.2 tp10 -91.55 161.51 14.92 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -179.015 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 41.9 t -126.8 139.5 51.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -177.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1094 ' ' ILE . . . . . 0.459 HG12 HD13 ' A' 1109 ' ' ILE . 18.0 mt -126.83 135.82 62.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.024 0.44 . . . . 0.0 110.972 -177.104 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1095 ' ' ILE . . . . . 0.503 HG12 ' HG2' ' A' 1110 ' ' GLU . 39.8 mm -94.37 111.99 26.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 172.225 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1096 ' ' VAL . . . . . 0.747 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 41.1 t -76.6 115.64 18.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.359 -178.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 17.8 p -99.69 -21.04 15.99 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.807 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -164.0 -176.3 35.73 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.581 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -136.11 138.18 41.78 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1100 ' ' GLU . . . . . 0.573 ' OE1' ' HD2' ' B' 1589 ' ' ARG . 34.0 tt0 -114.95 -30.32 6.43 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.749 0.785 . . . . 0.0 109.395 -178.126 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1101 ' ' ASP . . . . . 0.789 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 27.8 t70 -145.9 179.67 7.31 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.776 -1.102 . . . . 0.0 108.728 177.302 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -66.08 -47.37 74.48 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.183 0.516 . . . . 0.0 109.98 176.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -106.52 16.93 24.02 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.581 -174.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1104 ' ' TRP . . . . . 0.789 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 68.4 m95 -141.15 107.63 5.3 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.599 179.227 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 45.2 m0 -111.49 166.17 11.37 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.753 -176.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1106 ' ' ILE . . . . . 0.51 HD11 ' HB2' ' A' 1100 ' ' GLU . 23.1 mt -116.6 137.02 51.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.105 -175.177 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -178.43 -159.73 23.44 Favored Glycine 0 N--CA 1.439 -1.119 0 C-N-CA 119.876 -1.154 . . . . 0.0 112.928 176.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -145.55 150.68 36.86 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 -177.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.65 ' HB ' ' HB3' ' A' 1112 ' ' GLN . 33.1 mm -61.98 137.69 23.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.23 -177.244 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1110 ' ' GLU . . . . . 0.503 ' HG2' HG12 ' A' 1095 ' ' ILE . 0.5 OUTLIER -62.87 104.25 0.53 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.536 179.531 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 100.24 -7.69 58.57 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.986 -0.626 . . . . 0.0 111.721 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1112 ' ' GLN . . . . . 0.65 ' HB3' ' HB ' ' A' 1109 ' ' ILE . 6.3 tp60 -134.9 78.8 53.41 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.22 -22.59 66.86 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.741 2.294 . . . . 0.0 112.013 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -63.99 -33.32 75.48 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.621 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -88.79 90.09 8.26 Favored 'General case' 0 N--CA 1.439 -0.987 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1116 ' ' LYS . . . . . 0.597 ' HD3' ' H ' ' A' 1116 ' ' LYS . 0.2 OUTLIER -131.35 155.96 46.34 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.109 -178.46 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 160.42 -160.85 32.15 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.903 -0.665 . . . . 0.0 111.723 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1118 ' ' VAL . . . . . . . . . . . . . 6.4 t -104.44 120.42 54.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.874 0.369 . . . . 0.0 110.178 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1119 ' ' PHE . . . . . 0.596 ' HZ ' HG22 ' A' 1096 ' ' VAL . 22.1 p90 -113.28 138.29 22.35 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 115.925 -0.579 . . . . 0.0 112.009 -177.229 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1120 ' ' PRO . . . . . 0.718 ' HD2' ' HE1' ' A' 1088 ' ' PHE . 46.6 Cg_endo -71.25 128.01 14.14 Favored 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 122.979 2.453 . . . . 0.0 112.34 175.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1121 ' ' VAL . . . . . 0.566 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 48.8 t -67.79 -15.14 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.122 178.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.01 -24.92 68.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.971 178.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1123 ' ' PHE . . . . . 0.651 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.6 OUTLIER -111.96 3.49 17.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.114 0.483 . . . . 0.0 110.879 -174.73 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.63 HG12 ' HA ' ' A' 1074 ' ' THR . 16.0 m -130.69 166.1 29.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.72 -179.078 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 54.9 t60 -133.02 134.69 44.77 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1126 ' ' ILE . . . . . 0.653 ' HA ' HG12 ' A' 1072 ' ' VAL . 2.5 mp -77.65 125.55 37.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.991 -175.696 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1127 ' ' LEU . . . . . 0.655 HD11 ' HB2' ' A' 1073 ' ' LYS . 54.7 mt -113.44 86.19 2.34 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.43 0.634 . . . . 0.0 110.74 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 21.2 t -104.42 13.35 32.08 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.176 175.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 11.5 p-10 . . . . . 0 C--O 1.243 0.734 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.768 -177.416 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 62.7 m . . . . . 0 N--CA 1.477 0.918 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B 1579 ' ' ILE . . . . . 0.621 HG12 ' HG3' ' A' 1090 ' ' GLU . 20.1 mt -67.29 127.53 29.01 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.351 0 CA-C-O 121.224 0.535 . . . . 0.0 110.19 175.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1580 ' ' ILE . . . . . 0.433 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.6 mp -75.7 122.03 28.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.686 176.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 49.0 m 54.95 -149.66 0.44 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.906 0.384 . . . . 0.0 111.624 173.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -94.55 163.34 13.43 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 168.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1583 ' ' MET . . . . . 0.602 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 4.9 ttm -63.57 138.58 97.41 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -175.088 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1584 ' ' PRO . . . . . 0.797 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 78.2 Cg_endo -84.28 -174.93 1.98 Allowed 'Trans proline' 0 N--CA 1.449 -1.123 0 C-N-CA 123.312 2.675 . . . . 0.0 110.713 175.308 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 25.9 m -120.9 137.54 54.54 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 -177.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1586 ' ' LYS . . . . . 0.847 ' HE3' ' HB2' ' A' 1081 ' ' ASP . 19.9 ttmm -59.08 103.9 0.2 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 174.235 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 25.7 m -72.62 16.29 0.15 Allowed 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -170.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1588 ' ' SER . . . . . 0.41 ' H ' ' C ' ' B' 1586 ' ' LYS . 13.4 m 64.4 115.23 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.742 0.782 . . . . 0.0 111.293 -178.16 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1589 ' ' ARG . . . . . 0.613 ' O ' ' HG2' ' B' 1592 ' ' LYS . 13.0 ttp180 -64.62 113.65 3.88 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.163 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1590 ' ' LYS . . . . . 0.631 ' HD2' ' H ' ' B' 1590 ' ' LYS . 0.1 OUTLIER -68.15 -15.43 63.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.21 0.529 . . . . 0.0 110.4 -175.746 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -81.25 -29.6 34.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.22 177.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1592 ' ' LYS . . . . . 0.613 ' HG2' ' O ' ' B' 1589 ' ' ARG . 21.7 ptmt -87.99 151.44 22.78 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1593 ' ' LYS . . . . . 0.512 ' HD2' ' N ' ' B' 1593 ' ' LYS . 11.2 mptt -103.48 126.96 30.65 Favored Pre-proline 0 C--N 1.314 -0.951 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1594 ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' B' 1593 ' ' LYS . 18.8 Cg_exo -67.4 69.8 0.67 Allowed 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.951 2.434 . . . . 0.0 112.021 178.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . -144.02 176.63 9.15 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.808 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 . . . . . 0 C--O 1.246 0.89 0 CA-C-O 118.546 -0.74 . . . . 0.0 110.346 -177.529 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 121.426 0.631 . . . . 0.0 111.365 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -92.7 111.36 22.93 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.795 176.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -103.96 137.74 41.51 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.199 -173.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1072 ' ' VAL . . . . . 0.757 HG12 ' HA ' ' A' 1126 ' ' ILE . 9.6 m -132.41 163.23 38.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.95 177.601 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1073 ' ' LYS . . . . . 0.545 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.4 OUTLIER -131.07 140.55 50.06 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 179.054 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1074 ' ' THR . . . . . 0.623 ' HA ' HG12 ' A' 1124 ' ' VAL . 46.2 p -78.72 121.3 24.55 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.267 0.556 . . . . 0.0 110.877 -177.042 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1075 ' ' ILE . . . . . 0.511 HG13 ' CD2' ' A' 1076 ' ' TYR . 14.2 pt -98.95 -8.19 9.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.588 0.709 . . . . 0.0 110.141 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1076 ' ' TYR . . . . . 0.815 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 96.7 m-85 -137.08 177.34 7.94 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.727 -1.124 . . . . 0.0 110.199 176.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -113.75 130.21 56.47 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.405 173.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1078 ' ' CYS . . . . . 0.666 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 48.6 t -134.99 151.66 51.03 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.181 -175.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1079 ' ' GLN . . . . . 0.559 ' HA ' HG23 ' A' 1087 ' ' THR . 52.8 tt0 -125.98 144.15 50.81 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.263 0.554 . . . . 0.0 110.86 177.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1080 ' ' ALA . . . . . 0.634 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -75.55 149.38 38.36 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.632 -1.167 . . . . 0.0 112.112 -177.63 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -96.79 -46.9 6.08 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 171.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 52.5 t30 -104.56 153.96 20.52 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 113.701 -1.591 . . . . 0.0 110.208 -175.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -57.94 -27.55 63.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.919 -1.037 . . . . 0.0 113.329 -167.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 1.1 p30 -100.12 12.15 37.64 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -175.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1085 ' ' GLU . . . . . 0.733 ' HG2' HH11 ' B' 1589 ' ' ARG . 42.8 mt-10 -96.18 163.53 13.06 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 176.555 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1086 ' ' LEU . . . . . 0.475 ' HB3' ' HB3' ' A' 1119 ' ' PHE . 12.3 tp -103.7 123.26 46.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.884 0.373 . . . . 0.0 111.683 -172.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1087 ' ' THR . . . . . 0.559 HG23 ' HA ' ' A' 1079 ' ' GLN . 91.3 m -94.6 116.62 28.98 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 170.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1088 ' ' PHE . . . . . 0.808 ' HE2' ' HD2' ' A' 1120 ' ' PRO . 39.8 p90 -136.58 152.4 50.42 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.529 -175.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1089 ' ' ILE . . . . . 0.636 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -117.1 159.16 17.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.169 177.2 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1090 ' ' GLU . . . . . 0.414 ' HG3' ' HA ' ' B' 1579 ' ' ILE . 4.6 tm-20 -55.89 124.3 17.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.939 -177.228 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 116.39 -11.03 16.75 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.336 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1092 ' ' GLU . . . . . 0.459 ' HA ' ' OE1' ' A' 1092 ' ' GLU . 3.6 mm-40 -78.54 153.37 31.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.344 0.592 . . . . 0.0 110.813 178.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 58.6 t -119.26 132.69 68.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.111 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1094 ' ' ILE . . . . . 0.621 HG12 HD13 ' A' 1109 ' ' ILE . 19.7 mt -124.54 133.97 67.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.074 0.464 . . . . 0.0 111.133 -174.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 50.7 mm -95.67 113.28 29.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 172.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1096 ' ' VAL . . . . . 0.451 HG22 ' HZ ' ' A' 1119 ' ' PHE . 30.0 t -76.53 115.44 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.595 -175.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1097 ' ' THR . . . . . 0.513 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 4.1 p -97.45 -26.01 14.99 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 179.214 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -153.35 -171.35 20.49 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.624 -177.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1099 ' ' GLU . . . . . 0.436 ' HA ' ' HA ' ' A' 1105 ' ' TRP . 0.4 OUTLIER -156.92 133.89 10.3 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 -178.172 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -116.59 -34.58 4.49 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.471 0.653 . . . . 0.0 109.538 -178.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1101 ' ' ASP . . . . . 0.774 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 12.1 t70 -130.72 172.71 11.67 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.858 -1.065 . . . . 0.0 108.693 -178.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -69.53 -36.73 76.69 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.609 0.719 . . . . 0.0 109.084 177.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -112.97 16.26 19.43 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.62 -175.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1104 ' ' TRP . . . . . 0.774 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 79.1 m95 -141.33 107.88 5.32 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.8 177.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1105 ' ' TRP . . . . . 0.436 ' HA ' ' HA ' ' A' 1099 ' ' GLU . 43.6 m0 -112.4 164.19 13.55 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.656 -176.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1106 ' ' ILE . . . . . 0.811 HG12 HG22 ' A' 1118 ' ' VAL . 52.1 mt -116.64 136.56 53.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.907 -174.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1107 ' ' GLY . . . . . 0.513 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -176.69 -163.61 29.28 Favored Glycine 0 N--CA 1.441 -1.027 0 C-N-CA 119.894 -1.146 . . . . 0.0 112.648 178.051 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -139.37 149.04 43.68 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -177.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.692 ' HB ' ' HB2' ' A' 1112 ' ' GLN . 49.7 mm -62.89 135.23 27.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.39 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -48.84 -63.18 1.17 Allowed 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.52 0.512 . . . . 0.0 111.62 -172.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -91.74 12.76 68.53 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.642 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1112 ' ' GLN . . . . . 0.692 ' HB2' ' HB ' ' A' 1109 ' ' ILE . 22.2 mm-40 -137.21 74.11 49.57 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 121.161 0.505 . . . . 0.0 110.312 178.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -69.75 -4.26 13.67 Favored 'Trans proline' 0 C--N 1.339 0.036 0 C-N-CA 123.367 2.711 . . . . 0.0 111.493 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -81.67 -17.46 47.94 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.644 175.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -109.79 98.42 7.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.395 -178.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1116 ' ' LYS . . . . . 0.419 ' HD3' ' N ' ' A' 1116 ' ' LYS . 0.1 OUTLIER -128.11 157.59 40.33 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 177.149 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 163.94 -172.25 39.74 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.201 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1118 ' ' VAL . . . . . 0.811 HG22 HG12 ' A' 1106 ' ' ILE . 11.2 t -99.78 117.56 45.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.038 0.447 . . . . 0.0 110.342 179.017 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1119 ' ' PHE . . . . . 0.49 ' CE1' HG21 ' A' 1094 ' ' ILE . 14.7 p90 -110.82 142.95 27.25 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.348 -176.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1120 ' ' PRO . . . . . 0.808 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 59.8 Cg_endo -74.73 128.68 11.9 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.68 2.253 . . . . 0.0 111.831 176.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1121 ' ' VAL . . . . . 0.583 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 46.8 t -68.71 -16.45 20.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.229 -179.135 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.57 -21.38 66.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.864 179.162 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1123 ' ' PHE . . . . . 0.666 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.5 OUTLIER -112.94 0.89 15.24 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 121.428 0.632 . . . . 0.0 110.646 -175.6 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.623 HG12 ' HA ' ' A' 1074 ' ' THR . 16.2 m -129.18 176.11 8.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.239 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 68.0 t60 -142.72 132.02 23.44 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1126 ' ' ILE . . . . . 0.757 ' HA ' HG12 ' A' 1072 ' ' VAL . 2.8 mp -73.87 132.64 33.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.205 -178.213 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1127 ' ' LEU . . . . . 0.545 HD11 ' HB2' ' A' 1073 ' ' LYS . 77.0 mt -117.61 93.09 4.03 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.664 0.745 . . . . 0.0 110.839 -178.096 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 16.8 t -92.77 44.84 1.16 Allowed 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.085 -0.961 . . . . 0.0 108.714 176.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 6.2 m-20 . . . . . 0 C--O 1.248 1.017 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.362 -179.905 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 28.3 m . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B 1579 ' ' ILE . . . . . 0.414 ' HA ' ' HG3' ' A' 1090 ' ' GLU . 8.6 mt -65.86 127.39 26.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 121.056 0.455 . . . . 0.0 110.356 175.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1580 ' ' ILE . . . . . 0.421 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.6 mp -78.05 121.65 31.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.544 175.671 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 51.1 m 53.64 -152.75 0.29 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 171.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -94.59 160.64 14.54 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 171.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1583 ' ' MET . . . . . 0.574 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 2.4 ttm -59.46 137.17 89.18 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -174.43 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1584 ' ' PRO . . . . . 0.815 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 97.4 Cg_endo -84.78 -175.95 2.28 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 123.436 2.758 . . . . 0.0 110.446 174.141 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 12.5 m -110.85 125.92 54.12 Favored 'General case' 0 C--N 1.313 -0.996 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.542 -177.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1586 ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -60.16 100.83 0.1 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.954 -1.021 . . . . 0.0 108.871 174.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 13.2 p -66.32 -14.71 62.46 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.251 -0.886 . . . . 0.0 113.114 -170.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1588 ' ' SER . . . . . . . . . . . . . 23.3 t 67.61 138.39 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.668 0.605 . . . . 0.0 109.55 -172.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1589 ' ' ARG . . . . . 0.733 HH11 ' HG2' ' A' 1085 ' ' GLU . 1.1 mtm-85 -70.36 134.86 48.29 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.191 -0.604 . . . . 0.0 109.727 -175.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1590 ' ' LYS . . . . . 0.492 ' HD2' ' N ' ' B' 1590 ' ' LYS . 3.7 mptp? -81.84 -3.9 55.15 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.951 -175.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -90.8 -5.45 55.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.423 174.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1592 ' ' LYS . . . . . 0.5 ' CD ' ' HG3' ' B' 1589 ' ' ARG . 12.1 ptmm? -119.56 146.98 45.02 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.732 176.441 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1593 ' ' LYS . . . . . 0.408 ' C ' ' H ' ' B' 1595 ' ' ALA . 53.8 mttp -89.97 150.71 44.12 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.586 -179.128 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1594 ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.11 31.11 0.3 Allowed 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.17 2.58 . . . . 0.0 112.953 -178.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1595 ' ' ALA . . . . . 0.408 ' H ' ' C ' ' B' 1593 ' ' LYS . . . -99.66 -24.4 14.74 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.312 0.577 . . . . 0.0 109.822 176.577 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 . . . . . 0 C--O 1.246 0.88 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.502 178.713 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 62.0 t . . . . . 0 N--CA 1.478 0.954 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 1070 ' ' ARG . . . . . 0.576 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 39.9 ttm180 -96.33 143.08 27.72 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1071 ' ' ARG . . . . . 0.503 ' HG3' HD13 ' A' 1095 ' ' ILE . 39.9 ttt180 -135.42 134.57 39.81 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.095 -172.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1072 ' ' VAL . . . . . 0.568 HG12 ' HA ' ' A' 1126 ' ' ILE . 28.0 m -125.21 152.47 31.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 120.949 0.404 . . . . 0.0 111.04 178.47 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1073 ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' 1074 ' ' THR . 0.3 OUTLIER -119.53 134.01 55.41 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 177.231 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1074 ' ' THR . . . . . 0.563 ' HA ' HG12 ' A' 1124 ' ' VAL . 51.9 p -77.49 129.09 35.27 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-O 121.082 0.468 . . . . 0.0 110.937 -175.072 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1075 ' ' ILE . . . . . 0.563 HG13 ' CD2' ' A' 1076 ' ' TYR . 25.2 pt -101.18 -7.26 9.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-O 121.413 0.625 . . . . 0.0 110.078 179.218 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1076 ' ' TYR . . . . . 0.805 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 65.6 m-85 -137.42 176.89 8.3 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.589 -1.187 . . . . 0.0 111.095 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 2.9 t70 -107.41 132.95 52.62 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.348 -1.296 . . . . 0.0 108.573 173.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1078 ' ' CYS . . . . . 0.655 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 47.1 t -145.98 146.4 30.99 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.421 -174.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1079 ' ' GLN . . . . . 0.566 ' HA ' HG23 ' A' 1087 ' ' THR . 51.5 tt0 -127.74 144.35 51.09 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.821 -179.111 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1080 ' ' ALA . . . . . . . . . . . . . . . -57.81 128.8 38.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.03 -0.986 . . . . 0.0 112.549 -175.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 17.2 t70 -77.93 -34.07 51.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.11 178.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1082 ' ' ASN . . . . . 0.5 ' H ' ' CG ' ' A' 1085 ' ' GLU . 8.4 t-20 -133.99 -169.77 2.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.997 -1.001 . . . . 0.0 108.755 -177.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 34.6 t70 -69.33 -40.04 77.84 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -173.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 29.5 t70 -107.05 32.95 4.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.598 0.713 . . . . 0.0 111.651 -174.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1085 ' ' GLU . . . . . 0.513 ' CD ' HH21 ' B' 1589 ' ' ARG . 16.4 mm-40 -96.08 -171.4 2.31 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 170.188 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1086 ' ' LEU . . . . . 0.436 ' CD2' HD13 ' A' 1094 ' ' ILE . 14.1 tp -123.67 133.23 53.93 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 120.044 -0.662 . . . . 0.0 112.106 -178.228 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1087 ' ' THR . . . . . 0.566 HG23 ' HA ' ' A' 1079 ' ' GLN . 36.4 m -102.91 121.35 42.34 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 170.136 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1088 ' ' PHE . . . . . 0.54 ' HB2' HG21 ' A' 1074 ' ' THR . 12.5 p90 -143.57 138.19 28.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.034 0.445 . . . . 0.0 110.554 -176.265 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1089 ' ' ILE . . . . . 0.639 HD12 ' HB2' ' A' 1092 ' ' GLU . 1.8 pp -100.42 154.71 4.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.122 -177.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1090 ' ' GLU . . . . . 0.56 ' HG3' HG12 ' B' 1579 ' ' ILE . 3.7 tm-20 -56.9 126.58 27.71 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 -178.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 105.54 -2.95 39.51 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.912 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1092 ' ' GLU . . . . . 0.639 ' HB2' HD12 ' A' 1089 ' ' ILE . 6.3 tp10 -80.95 160.59 24.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.213 0.53 . . . . 0.0 110.51 -178.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1093 ' ' VAL . . . . . 0.509 ' O ' HG23 ' A' 1109 ' ' ILE . 59.1 t -126.87 123.88 63.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.16 -178.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1094 ' ' ILE . . . . . 0.811 HG12 HG12 ' A' 1109 ' ' ILE . 22.7 mt -118.52 137.42 52.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -176.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1095 ' ' ILE . . . . . 0.542 HG12 ' HB2' ' A' 1110 ' ' GLU . 38.7 mm -92.19 121.9 43.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 174.589 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1096 ' ' VAL . . . . . 0.576 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 38.9 t -83.45 117.17 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.817 0.341 . . . . 0.0 110.512 -176.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1097 ' ' THR . . . . . 0.612 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 17.9 p -104.21 -17.94 14.68 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.305 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -163.37 -172.88 31.4 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.325 -0.94 . . . . 0.0 113.109 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1099 ' ' GLU . . . . . 0.581 ' HG3' ' CD1' ' A' 1105 ' ' TRP . 21.6 tt0 -153.6 138.47 17.13 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -177.372 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -119.56 -40.11 2.81 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 177.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1101 ' ' ASP . . . . . 0.71 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 33.1 t70 -130.81 168.36 17.36 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.803 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -58.73 -38.42 78.32 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-O 121.44 0.638 . . . . 0.0 109.999 176.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1103 ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' 1120 ' ' PRO . 53.7 tt0 -109.77 9.44 24.79 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.845 -171.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1104 ' ' TRP . . . . . 0.71 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 79.0 m95 -140.67 107.22 5.31 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.486 -178.43 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1105 ' ' TRP . . . . . 0.581 ' CD1' ' HG3' ' A' 1099 ' ' GLU . 44.0 m0 -111.0 161.86 15.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.505 -178.683 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1106 ' ' ILE . . . . . 0.499 HG12 HG22 ' A' 1118 ' ' VAL . 45.7 mt -116.22 139.26 43.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.96 -174.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1107 ' ' GLY . . . . . 0.612 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -179.64 -165.87 34.39 Favored Glycine 0 N--CA 1.44 -1.056 0 C-N-CA 119.98 -1.105 . . . . 0.0 112.733 175.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1108 ' ' HIS . . . . . 0.625 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 14.6 p-80 -138.18 141.25 40.05 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.408 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.811 HG12 HG12 ' A' 1094 ' ' ILE . 12.2 mt -66.93 132.65 32.17 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.122 -172.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1110 ' ' GLU . . . . . 0.542 ' HB2' HG12 ' A' 1095 ' ' ILE . 2.0 tm-20 -72.33 110.94 7.11 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.703 -1.135 . . . . 0.0 109.305 -174.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 112.16 -10.71 26.83 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.986 -0.626 . . . . 0.0 111.599 -177.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 49.2 tp60 -151.92 84.83 4.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -63.04 -20.85 72.43 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 123.368 2.712 . . . . 0.0 113.379 -173.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.06 -13.48 61.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.885 0.374 . . . . 0.0 111.401 178.341 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1115 ' ' ARG . . . . . 0.46 ' HB2' ' HB ' ' A' 1109 ' ' ILE . 86.0 mtt180 -96.53 88.63 4.74 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 176.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1116 ' ' LYS . . . . . 0.625 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 0.0 OUTLIER -131.47 150.47 52.14 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.224 177.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 166.35 -164.3 37.51 Favored Glycine 0 N--CA 1.44 -1.076 0 N-CA-C 110.681 -0.968 . . . . 0.0 110.681 -178.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1118 ' ' VAL . . . . . 0.499 HG22 HG12 ' A' 1106 ' ' ILE . 7.0 t -103.71 120.34 53.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 176.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1119 ' ' PHE . . . . . . . . . . . . . 11.6 p90 -110.21 135.18 20.59 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.743 -177.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1120 ' ' PRO . . . . . 0.433 ' HA ' ' O ' ' A' 1103 ' ' GLU . 31.1 Cg_endo -69.06 126.38 13.7 Favored 'Trans proline' 0 N--CA 1.459 -0.5 0 C-N-CA 122.62 2.213 . . . . 0.0 111.8 175.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1121 ' ' VAL . . . . . 0.58 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 59.2 t -64.45 -16.64 19.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.45 0.643 . . . . 0.0 109.698 177.32 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1122 ' ' SER . . . . . 0.607 ' HB2' ' HD1' ' A' 1123 ' ' PHE . 0.9 OUTLIER -58.65 -30.67 67.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.787 178.06 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1123 ' ' PHE . . . . . 0.655 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.4 OUTLIER -109.16 6.83 25.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.981 -173.595 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.58 ' CG2' ' HA ' ' A' 1121 ' ' VAL . 17.4 m -134.78 177.11 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 121.165 0.507 . . . . 0.0 112.076 -177.031 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1125 ' ' HIS . . . . . 0.4 ' CE1' HD13 ' A' 1075 ' ' ILE . 0.0 OUTLIER -139.56 147.7 41.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.26 177.584 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 1126 ' ' ILE . . . . . 0.568 ' HA ' HG12 ' A' 1072 ' ' VAL . 2.3 mp -86.76 124.62 40.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.112 0.482 . . . . 0.0 110.828 -177.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 10.6 mp -113.43 -57.29 2.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.761 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 15.2 m 53.92 44.18 29.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.803 0.811 . . . . 0.0 109.265 -172.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 26.4 t70 . . . . . 0 C--O 1.246 0.875 0 CA-C-N 114.641 -1.163 . . . . 0.0 109.488 -177.647 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 33.6 m . . . . . 0 N--CA 1.478 0.939 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B 1579 ' ' ILE . . . . . 0.56 HG12 ' HG3' ' A' 1090 ' ' GLU . 19.1 mt -61.71 131.1 26.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.103 0.477 . . . . 0.0 110.603 177.583 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1580 ' ' ILE . . . . . 0.494 HD13 ' HB ' ' A' 1075 ' ' ILE . 1.7 mp -87.51 120.46 36.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 173.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 24.7 m 54.16 -156.48 0.21 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 169.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -91.86 159.29 15.86 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.312 169.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1583 ' ' MET . . . . . 0.659 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 2.1 ttm -54.25 138.06 58.07 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -173.685 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1584 ' ' PRO . . . . . 0.805 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 68.2 Cg_endo -87.59 -175.53 1.51 Allowed 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 123.49 2.793 . . . . 0.0 110.049 177.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 85.2 m -110.59 136.88 49.02 Favored 'General case' 0 C--N 1.305 -1.339 0 C-N-CA 120.509 -0.477 . . . . 0.0 109.873 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1586 ' ' LYS . . . . . 0.449 ' C ' ' H ' ' B' 1588 ' ' SER . 16.3 ttmt -65.11 95.87 0.19 Allowed 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 169.463 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 5.1 m -74.54 25.98 0.08 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.283 -168.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1588 ' ' SER . . . . . 0.449 ' H ' ' C ' ' B' 1586 ' ' LYS . 27.4 m 62.16 141.16 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.855 0.836 . . . . 0.0 111.716 -178.036 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1589 ' ' ARG . . . . . 0.6 ' HB3' ' HG2' ' B' 1592 ' ' LYS . 7.2 ttp85 -85.01 103.4 14.01 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 173.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1590 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.34 25.66 0.06 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.154 0.502 . . . . 0.0 112.26 -172.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1591 ' ' ALA . . . . . 0.444 ' H ' ' C ' ' B' 1589 ' ' ARG . . . -127.65 4.75 6.12 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 172.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1592 ' ' LYS . . . . . 0.6 ' HG2' ' HB3' ' B' 1589 ' ' ARG . 14.3 ptmt -150.62 131.63 14.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.401 176.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1593 ' ' LYS . . . . . 0.44 ' HA ' ' HD3' ' B' 1594 ' ' PRO . 92.4 mttt -92.64 128.58 43.62 Favored Pre-proline 0 C--N 1.314 -0.948 0 CA-C-O 121.103 0.478 . . . . 0.0 111.755 -177.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1594 ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' B' 1593 ' ' LYS . 73.6 Cg_endo -95.12 44.08 0.17 Allowed 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 123.684 2.922 . . . . 0.0 111.183 172.037 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . 68.86 -66.76 0.23 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.076 -174.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.072 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 35.8 m . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 120.627 0.251 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 1070 ' ' ARG . . . . . 0.7 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 8.5 ttm180 -103.54 114.63 29.05 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 176.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 44.1 ttt180 -105.93 127.21 52.99 Favored 'General case' 0 C--N 1.313 -1.01 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.122 -169.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1072 ' ' VAL . . . . . 0.574 HG12 ' HA ' ' A' 1126 ' ' ILE . 25.2 m -125.41 155.9 34.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.689 0.281 . . . . 0.0 110.44 177.742 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1073 ' ' LYS . . . . . 0.46 ' HD2' ' N ' ' A' 1074 ' ' THR . 0.4 OUTLIER -123.54 133.34 54.01 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.027 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1074 ' ' THR . . . . . 0.634 ' HA ' HG12 ' A' 1124 ' ' VAL . 59.8 p -72.5 118.48 15.46 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.049 0.452 . . . . 0.0 110.569 -177.125 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1075 ' ' ILE . . . . . 0.655 HG13 ' CD2' ' A' 1076 ' ' TYR . 21.2 pt -98.71 -5.93 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.645 0.736 . . . . 0.0 109.835 -178.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1076 ' ' TYR . . . . . 0.807 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 98.7 m-85 -138.98 177.97 7.5 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.196 -1.365 . . . . 0.0 109.605 176.316 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1077 ' ' ASP . . . . . 0.427 ' O ' ' HE1' ' B' 1583 ' ' MET . 7.4 p-10 -113.51 130.56 56.32 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.173 172.714 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1078 ' ' CYS . . . . . 0.773 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 42.0 t -136.49 142.0 43.52 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.89 -177.738 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1079 ' ' GLN . . . . . 0.641 ' HA ' HG23 ' A' 1087 ' ' THR . 54.6 mt-30 -109.59 173.23 6.42 Favored 'General case' 0 C--N 1.311 -1.097 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.558 178.283 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1080 ' ' ALA . . . . . 0.474 ' HA ' ' HG2' ' A' 1085 ' ' GLU . . . -44.16 134.75 4.69 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.254 -1.339 . . . . 0.0 113.722 -179.437 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1081 ' ' ASP . . . . . 0.606 ' OD2' ' HD2' ' B' 1592 ' ' LYS . 12.0 t0 -99.35 -34.02 10.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.852 173.474 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -138.38 -169.21 2.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.55 -178.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -71.6 -20.53 61.98 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.639 0.733 . . . . 0.0 109.667 170.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 9.5 t70 -116.55 93.68 4.31 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.979 -1.009 . . . . 0.0 109.759 -178.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1085 ' ' GLU . . . . . 0.474 ' HG2' ' HA ' ' A' 1080 ' ' ALA . 0.0 OUTLIER -153.19 -166.81 2.53 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.247 0.546 . . . . 0.0 111.861 -179.173 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1086 ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' 1116 ' ' LYS . 6.8 tt -141.87 106.14 4.8 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.166 -0.925 . . . . 0.0 109.207 170.605 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1087 ' ' THR . . . . . 0.641 HG23 ' HA ' ' A' 1079 ' ' GLN . 54.4 m -77.49 135.17 38.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.332 177.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1088 ' ' PHE . . . . . 0.615 ' HZ ' ' HB2' ' A' 1123 ' ' PHE . 11.1 p90 -147.76 160.77 42.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.237 0.542 . . . . 0.0 111.734 -175.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1089 ' ' ILE . . . . . 0.473 HD12 ' HG2' ' A' 1092 ' ' GLU . 1.8 pp -126.22 158.92 35.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.129 177.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -57.14 124.82 20.12 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.598 0.561 . . . . 0.0 110.17 -178.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 114.17 -6.45 23.38 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.42 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1092 ' ' GLU . . . . . 0.473 ' HG2' HD12 ' A' 1089 ' ' ILE . 19.1 mm-40 -83.98 159.4 21.24 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.052 0.453 . . . . 0.0 111.549 176.207 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1093 ' ' VAL . . . . . 0.435 HG22 ' HG2' ' A' 1073 ' ' LYS . 58.1 t -125.68 127.06 71.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 179.095 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1094 ' ' ILE . . . . . 0.572 HG12 HD13 ' A' 1109 ' ' ILE . 24.8 mt -115.33 129.76 71.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-O 121.279 0.562 . . . . 0.0 110.951 -174.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 51.3 mm -89.58 101.99 12.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 173.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1096 ' ' VAL . . . . . 0.753 HG22 ' HZ ' ' A' 1119 ' ' PHE . 61.6 t -70.89 121.62 21.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.511 -178.415 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 7.8 p -104.33 -19.17 14.17 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.095 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -163.34 -176.71 35.61 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.872 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -139.87 148.39 42.0 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1100 ' ' GLU . . . . . 0.484 ' CD ' HH21 ' B' 1589 ' ' ARG . 31.2 tt0 -123.99 -38.46 2.47 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.365 -0.534 . . . . 0.0 109.697 176.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1101 ' ' ASP . . . . . . . . . . . . . 31.3 t70 -139.05 175.15 9.8 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 174.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -58.27 -48.29 80.93 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.27 0.557 . . . . 0.0 110.082 176.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1103 ' ' GLU . . . . . 0.573 ' O ' ' HA ' ' A' 1120 ' ' PRO . 30.4 tt0 -98.33 6.68 47.11 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.389 -171.625 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1104 ' ' TRP . . . . . 0.648 ' CD1' ' HA ' ' B' 1589 ' ' ARG . 87.4 m95 -139.79 105.19 5.06 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.45 0.643 . . . . 0.0 111.022 -178.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 44.8 m0 -107.03 167.95 9.54 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.502 -178.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 48.4 mt -119.03 135.15 60.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.194 -175.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -177.13 -161.36 25.61 Favored Glycine 0 N--CA 1.441 -1.009 0 C-N-CA 120.313 -0.946 . . . . 0.0 112.4 178.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1108 ' ' HIS . . . . . 0.503 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 8.5 p-80 -147.81 149.87 33.14 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.639 0.257 . . . . 0.0 110.572 -178.365 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.572 HD13 HG12 ' A' 1094 ' ' ILE . 32.2 mm -60.62 136.19 24.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.461 178.501 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -62.02 -47.18 85.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.072 -177.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -90.64 8.86 79.16 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.581 -0.818 . . . . 0.0 112.752 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1112 ' ' GLN . . . . . 0.472 ' O ' ' HB ' ' A' 1109 ' ' ILE . 48.6 tp60 -161.63 78.94 2.12 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -178.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -66.69 -16.71 51.27 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 123.17 2.58 . . . . 0.0 112.884 -174.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -72.06 -26.69 62.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.088 0.47 . . . . 0.0 109.751 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 74.7 mtt-85 -82.36 93.84 7.26 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 170.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1116 ' ' LYS . . . . . 0.503 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 23.4 pttm -138.16 147.66 44.11 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.113 -176.11 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1117 ' ' GLY . . . . . 0.446 ' HA3' ' O ' ' A' 1085 ' ' GLU . . . 162.55 -147.38 13.31 Favored Glycine 0 N--CA 1.443 -0.894 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.067 -177.506 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1118 ' ' VAL . . . . . 0.485 HG21 ' CZ ' ' B' 1589 ' ' ARG . 2.1 t -112.52 129.14 68.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 110.541 -0.17 . . . . 0.0 110.541 -175.392 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1119 ' ' PHE . . . . . 0.753 ' HZ ' HG22 ' A' 1096 ' ' VAL . 23.6 p90 -128.14 146.5 59.64 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.614 -175.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1120 ' ' PRO . . . . . 0.573 ' HA ' ' O ' ' A' 1103 ' ' GLU . 73.7 Cg_endo -78.7 126.26 7.25 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.228 2.619 . . . . 0.0 112.565 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1121 ' ' VAL . . . . . 0.582 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 83.9 t -65.94 -19.56 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.8 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 45.4 m -61.57 -25.78 67.54 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 177.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1123 ' ' PHE . . . . . 0.773 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.6 OUTLIER -107.88 0.77 22.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.403 0.62 . . . . 0.0 110.753 -174.455 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.634 HG12 ' HA ' ' A' 1074 ' ' THR . 14.9 m -127.61 169.89 18.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.248 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 33.2 t60 -134.45 141.02 46.65 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1126 ' ' ILE . . . . . 0.574 ' HA ' HG12 ' A' 1072 ' ' VAL . 2.0 mp -82.29 124.74 39.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.105 0.478 . . . . 0.0 110.831 -176.206 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 9.1 mp -105.85 -53.34 2.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.814 176.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 49.1 m 53.68 47.67 23.26 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.78 0.8 . . . . 0.0 109.422 -173.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 30.9 t70 . . . . . 0 C--O 1.251 1.136 0 CA-C-N 114.729 -1.123 . . . . 0.0 109.759 -176.322 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 73.8 m . . . . . 0 N--CA 1.476 0.851 0 CA-C-O 120.684 0.278 . . . . 0.0 110.729 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 35.9 mt -71.77 120.5 20.13 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-O 121.189 0.519 . . . . 0.0 110.008 176.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1580 ' ' ILE . . . . . 0.474 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.6 mp -65.91 113.67 2.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.372 176.378 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 49.9 m 58.16 -151.87 0.41 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.789 0.328 . . . . 0.0 111.086 176.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -92.63 153.67 18.85 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 170.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1583 ' ' MET . . . . . 0.549 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 4.6 ttm -59.69 134.46 89.31 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -176.581 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1584 ' ' PRO . . . . . 0.807 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 95.2 Cg_endo -84.08 -175.53 2.25 Favored 'Trans proline' 0 N--CA 1.445 -1.35 0 C-N-CA 123.226 2.618 . . . . 0.0 109.598 176.052 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 14.8 t -113.6 139.71 48.79 Favored 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 119.432 -0.907 . . . . 0.0 109.39 -178.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1586 ' ' LYS . . . . . 0.488 ' HE3' ' HB3' ' B' 1586 ' ' LYS . 3.8 tmmt? -67.28 99.53 0.72 Allowed 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 174.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 5.4 m -71.39 14.89 0.15 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.723 -167.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1588 ' ' SER . . . . . 0.434 ' H ' ' C ' ' B' 1586 ' ' LYS . 51.1 m 67.72 127.76 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.744 0.783 . . . . 0.0 110.751 -176.209 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1589 ' ' ARG . . . . . 0.648 ' HA ' ' CD1' ' A' 1104 ' ' TRP . 37.5 ttt180 -60.68 122.06 13.8 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.649 177.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1590 ' ' LYS . . . . . 0.507 ' HD2' ' N ' ' B' 1590 ' ' LYS . 0.4 OUTLIER -71.51 -5.83 36.01 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.177 0.513 . . . . 0.0 111.205 -173.368 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -94.01 4.72 53.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.384 174.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1592 ' ' LYS . . . . . 0.606 ' HD2' ' OD2' ' A' 1081 ' ' ASP . 22.8 mtpp -75.4 126.42 30.97 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 172.714 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1593 ' ' LYS . . . . . 0.479 ' HA ' ' HD3' ' B' 1594 ' ' PRO . 66.7 mttm -75.48 138.64 70.96 Favored Pre-proline 0 C--N 1.316 -0.867 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.099 -178.155 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1594 ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' B' 1593 ' ' LYS . 15.6 Cg_exo -68.55 74.1 0.85 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.138 2.558 . . . . 0.0 112.044 179.401 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . -128.74 174.4 9.48 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.314 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.444 -0.789 . . . . 0.0 110.246 178.566 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.483 1.189 0 CA-C-O 121.633 0.73 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 1070 ' ' ARG . . . . . 0.44 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 42.3 ttm180 -139.49 117.22 11.55 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.895 -176.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1071 ' ' ARG . . . . . 0.49 ' HG3' HD13 ' A' 1095 ' ' ILE . 3.1 ttm180 -84.98 135.56 33.98 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.526 -0.469 . . . . 0.0 110.747 -178.264 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1072 ' ' VAL . . . . . 0.576 HG12 ' HA ' ' A' 1126 ' ' ILE . 33.8 m -129.98 153.82 39.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.108 176.164 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1073 ' ' LYS . . . . . 0.526 ' HG2' HG22 ' A' 1093 ' ' VAL . 0.1 OUTLIER -120.67 135.95 54.98 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 -179.283 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1074 ' ' THR . . . . . 0.561 ' HA ' HG12 ' A' 1124 ' ' VAL . 72.5 p -78.38 126.56 30.95 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.321 0.581 . . . . 0.0 111.113 -175.662 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1075 ' ' ILE . . . . . 0.694 HD12 ' HB ' ' B' 1580 ' ' ILE . 15.8 pt -103.36 -3.7 9.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.997 179.156 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1076 ' ' TYR . . . . . 0.69 ' HB2' ' HB3' ' A' 1123 ' ' PHE . 31.2 m-85 -144.92 172.52 12.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.84 -179.381 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1077 ' ' ASP . . . . . 0.544 ' HA ' ' HA ' ' A' 1089 ' ' ILE . 10.1 p-10 -110.05 111.24 22.49 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 114.806 -1.088 . . . . 0.0 108.805 175.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1078 ' ' CYS . . . . . 0.695 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 51.5 t -119.89 143.29 48.03 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.512 -177.404 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1079 ' ' GLN . . . . . 0.563 ' HA ' HG23 ' A' 1087 ' ' THR . 49.3 mt-30 -121.47 142.11 50.36 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-O 121.329 0.585 . . . . 0.0 111.283 -178.283 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1080 ' ' ALA . . . . . 0.659 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -87.54 149.24 24.48 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.849 -173.458 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -95.58 -36.07 11.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.553 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -108.34 153.01 23.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.163 177.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 34.5 t70 -63.31 -25.39 68.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.296 -0.866 . . . . 0.0 112.297 -174.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -87.82 -2.53 58.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.861 0.363 . . . . 0.0 111.689 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1085 ' ' GLU . . . . . 0.659 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 59.1 mt-10 -97.85 159.14 15.12 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1086 ' ' LEU . . . . . 0.687 ' HB3' ' HB3' ' A' 1119 ' ' PHE . 9.3 tp -96.96 129.75 44.37 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.102 0.477 . . . . 0.0 112.205 -171.165 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1087 ' ' THR . . . . . 0.563 HG23 ' HA ' ' A' 1079 ' ' GLN . 96.2 m -100.98 128.11 47.16 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 169.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1088 ' ' PHE . . . . . 0.727 ' HE2' ' HD2' ' A' 1120 ' ' PRO . 34.4 p90 -146.45 158.57 43.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.895 0.379 . . . . 0.0 111.082 -175.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1089 ' ' ILE . . . . . 0.544 ' HA ' ' HA ' ' A' 1077 ' ' ASP . 1.8 pp -125.43 155.84 34.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.713 -179.286 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1090 ' ' GLU . . . . . 0.423 ' HG2' ' C ' ' A' 1075 ' ' ILE . 6.6 tm-20 -55.78 128.45 34.96 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 123.515 0.509 . . . . 0.0 110.585 -178.351 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 105.13 -5.65 42.2 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.571 -0.823 . . . . 0.0 111.661 -178.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1092 ' ' GLU . . . . . 0.505 ' HB2' HD12 ' A' 1089 ' ' ILE . 4.0 tp10 -84.96 160.56 20.05 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.641 -0.504 . . . . 0.0 109.641 177.444 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1093 ' ' VAL . . . . . 0.526 HG22 ' HG2' ' A' 1073 ' ' LYS . 59.8 t -129.43 131.4 67.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -178.482 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1094 ' ' ILE . . . . . 0.431 HG21 ' CE1' ' A' 1119 ' ' PHE . 14.9 mt -120.51 135.78 59.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.997 0.427 . . . . 0.0 110.961 -175.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1095 ' ' ILE . . . . . 0.515 HG12 ' HG2' ' A' 1110 ' ' GLU . 32.4 mm -93.03 109.61 21.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.307 172.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1096 ' ' VAL . . . . . 0.739 HG22 ' HZ ' ' A' 1119 ' ' PHE . 93.7 t -73.88 113.09 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.063 0.459 . . . . 0.0 110.334 178.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 21.3 p -100.5 -12.13 19.56 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.774 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -172.45 178.51 44.53 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.236 179.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -133.46 144.81 49.71 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1100 ' ' GLU . . . . . 0.547 ' OE1' ' HD2' ' B' 1589 ' ' ARG . 42.0 tt0 -121.51 -47.75 2.21 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.482 0.658 . . . . 0.0 109.356 178.359 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1101 ' ' ASP . . . . . 0.825 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 26.5 t70 -116.12 179.41 4.0 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 174.221 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -73.4 -35.47 65.87 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 175.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -113.53 12.5 18.6 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.446 -175.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1104 ' ' TRP . . . . . 0.825 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 70.7 m95 -137.84 107.45 6.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.37 176.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 45.3 m0 -111.08 169.27 8.88 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.712 -175.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1106 ' ' ILE . . . . . 0.457 HG12 HG22 ' A' 1118 ' ' VAL . 33.3 mt -118.01 136.08 56.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.108 -174.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -179.0 -161.36 26.49 Favored Glycine 0 N--CA 1.441 -1.031 0 C-N-CA 119.817 -1.182 . . . . 0.0 112.799 177.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1108 ' ' HIS . . . . . 0.543 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 17.8 p-80 -148.19 151.27 35.24 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.564 -0.318 . . . . 0.0 110.167 -177.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.471 HD12 ' HG3' ' A' 1092 ' ' GLU . 39.5 mm -62.92 134.3 28.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.089 -177.575 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1110 ' ' GLU . . . . . 0.515 ' HG2' HG12 ' A' 1095 ' ' ILE . 0.0 OUTLIER -66.03 103.15 0.9 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.371 -178.682 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 106.37 -5.88 38.66 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.338 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -140.38 79.4 20.97 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-O 121.036 0.446 . . . . 0.0 109.904 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -70.31 3.52 2.99 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.55 2.833 . . . . 0.0 113.28 -175.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -83.81 -27.17 28.98 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.265 0.555 . . . . 0.0 109.749 174.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -94.08 89.62 6.09 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.405 178.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1116 ' ' LYS . . . . . 0.543 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 0.0 OUTLIER -131.32 157.66 42.74 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.984 176.835 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 154.38 -162.67 30.76 Favored Glycine 0 N--CA 1.444 -0.812 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.88 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1118 ' ' VAL . . . . . 0.457 HG22 HG12 ' A' 1106 ' ' ILE . 8.3 t -101.18 122.72 53.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.908 0.385 . . . . 0.0 110.548 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1119 ' ' PHE . . . . . 0.739 ' HZ ' HG22 ' A' 1096 ' ' VAL . 23.9 p90 -117.84 145.65 37.12 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.988 -176.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1120 ' ' PRO . . . . . 0.727 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 62.3 Cg_endo -76.6 124.65 7.74 Favored 'Trans proline' 0 C--O 1.237 0.467 0 C-N-CA 122.965 2.443 . . . . 0.0 112.968 178.381 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1121 ' ' VAL . . . . . 0.606 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 57.3 t -64.56 -16.16 18.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.429 178.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1122 ' ' SER . . . . . 0.633 ' HB2' ' CD1' ' A' 1123 ' ' PHE . 0.7 OUTLIER -59.71 -34.15 72.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.106 -179.409 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1123 ' ' PHE . . . . . 0.695 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.1 OUTLIER -107.27 5.84 27.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.046 0.451 . . . . 0.0 110.219 -173.316 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.606 ' CG2' ' HA ' ' A' 1121 ' ' VAL . 16.3 m -127.48 167.47 22.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.906 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 3.1 t60 -131.71 138.18 48.56 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 -178.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1126 ' ' ILE . . . . . 0.576 ' HA ' HG12 ' A' 1072 ' ' VAL . 1.9 mp -83.77 128.5 38.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.044 0.45 . . . . 0.0 111.907 -173.304 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 9.4 mp -109.03 -47.19 3.47 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 173.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 1128 ' ' SER . . . . . 0.426 ' CB ' ' HG3' ' A' 1070 ' ' ARG . 5.4 t 58.43 57.17 3.98 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.311 176.065 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 38.9 t70 . . . . . 0 C--O 1.248 1.015 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.598 174.94 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 72.6 m . . . . . 0 N--CA 1.477 0.898 0 CA-C-O 120.831 0.348 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 34.4 mt -90.58 122.81 42.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.49 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1580 ' ' ILE . . . . . 0.694 ' HB ' HD12 ' A' 1075 ' ' ILE . 1.6 mp -94.49 102.41 13.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.029 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1581 ' ' SER . . . . . 0.446 ' HB2' ' O ' ' B' 1580 ' ' ILE . 44.5 m 75.23 -139.55 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.542 -176.193 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -119.48 164.38 15.86 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 171.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1583 ' ' MET . . . . . 0.533 ' HA ' ' CE1' ' A' 1076 ' ' TYR . 18.7 ttm -41.17 119.77 1.82 Allowed Pre-proline 0 N--CA 1.467 0.393 0 O-C-N 123.919 0.762 . . . . 0.0 112.312 -171.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1584 ' ' PRO . . . . . 0.474 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 2.9 Cg_exo -73.64 -176.87 2.75 Favored 'Trans proline' 0 N--CA 1.448 -1.159 0 C-N-CA 122.667 2.245 . . . . 0.0 110.606 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 32.0 m -109.77 134.34 52.12 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1586 ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -59.94 108.59 0.79 Allowed 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 172.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 3.7 p -66.03 -1.46 3.12 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.43 -0.805 . . . . 0.0 113.055 -169.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1588 ' ' SER . . . . . . . . . . . . . 20.3 m 61.6 99.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.475 0.655 . . . . 0.0 110.194 -176.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1589 ' ' ARG . . . . . 0.547 ' HD2' ' OE1' ' A' 1100 ' ' GLU . 17.3 ttp85 -50.12 124.01 9.41 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.891 -1.049 . . . . 0.0 111.206 -177.33 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1590 ' ' LYS . . . . . 0.572 ' HD2' ' N ' ' B' 1590 ' ' LYS . 3.4 mptp? -76.77 -2.97 35.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.581 0.705 . . . . 0.0 110.335 -175.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -118.68 35.59 4.73 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.737 171.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1592 ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' B' 1589 ' ' ARG . 47.3 tptt -69.09 100.09 1.2 Allowed 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.487 -178.354 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B 1593 ' ' LYS . . . . . . . . . . . . . 61.1 mttp -94.97 113.3 61.02 Favored Pre-proline 0 N--CA 1.441 -0.915 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 172.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1594 ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -60.44 88.28 0.08 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.518 2.145 . . . . 0.0 111.133 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . -46.85 118.4 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.87 -177.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B 1596 ' ' GLN . . . . . 0.403 ' H ' ' HG2' ' B' 1596 ' ' GLN . 7.0 pt20 . . . . . 0 C--O 1.246 0.895 0 CA-C-O 118.342 -0.837 . . . . 0.0 110.674 177.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 17.7 m . . . . . 0 N--CA 1.482 1.17 0 CA-C-O 120.702 0.287 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -124.35 109.13 12.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.587 0.708 . . . . 0.0 111.038 -177.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1071 ' ' ARG . . . . . 0.427 ' HG3' HD13 ' A' 1095 ' ' ILE . 22.3 ttm180 -129.3 149.23 51.18 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.751 -177.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1072 ' ' VAL . . . . . 0.61 HG12 ' HA ' ' A' 1126 ' ' ILE . 34.3 m -124.88 147.0 29.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.131 0.491 . . . . 0.0 110.339 175.578 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1073 ' ' LYS . . . . . 0.742 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.2 OUTLIER -111.62 131.14 55.48 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 175.738 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1074 ' ' THR . . . . . 0.57 ' HA ' HG12 ' A' 1124 ' ' VAL . 58.9 p -72.97 114.44 11.12 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.353 0.597 . . . . 0.0 110.25 -177.649 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1075 ' ' ILE . . . . . 0.548 HD12 ' HB ' ' B' 1580 ' ' ILE . 8.4 pt -93.86 -0.8 10.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-O 121.665 0.745 . . . . 0.0 109.567 179.267 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1076 ' ' TYR . . . . . 0.705 ' HB2' ' HB3' ' A' 1123 ' ' PHE . 31.4 m-85 -145.09 177.94 8.41 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.129 -1.396 . . . . 0.0 111.186 178.38 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -118.9 124.83 48.06 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 176.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1078 ' ' CYS . . . . . 0.505 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 42.0 t -131.8 144.79 51.18 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.772 -173.102 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1079 ' ' GLN . . . . . 0.538 ' HA ' HG23 ' A' 1087 ' ' THR . 25.9 tm0? -126.23 138.31 53.61 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.713 0.768 . . . . 0.0 111.418 -176.163 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1080 ' ' ALA . . . . . 0.461 ' HA ' ' HB3' ' A' 1085 ' ' GLU . . . -56.73 139.62 50.08 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 113.653 -1.612 . . . . 0.0 114.436 -173.672 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -76.49 -55.33 5.64 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.011 169.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -119.66 -170.79 2.01 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.04 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -67.0 -26.28 66.72 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.92 0.39 . . . . 0.0 111.821 -175.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -92.33 4.51 53.22 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -172.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1085 ' ' GLU . . . . . 0.461 ' HB3' ' HA ' ' A' 1080 ' ' ALA . 4.8 mp0 -91.45 151.96 20.58 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 172.357 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1086 ' ' LEU . . . . . 0.702 ' HB3' ' HB3' ' A' 1119 ' ' PHE . 11.4 tp -96.96 118.12 32.66 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.181 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1087 ' ' THR . . . . . 0.538 HG23 ' HA ' ' A' 1079 ' ' GLN . 56.5 m -88.31 116.18 26.33 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 172.039 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1088 ' ' PHE . . . . . 0.645 ' HE2' ' HB2' ' A' 1119 ' ' PHE . 15.8 p90 -130.96 158.73 39.47 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.126 -178.441 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1089 ' ' ILE . . . . . 0.6 HD12 ' HB2' ' A' 1092 ' ' GLU . 1.6 pp -123.2 150.32 27.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.843 -179.304 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -56.95 119.18 5.83 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.969 -175.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 116.02 -6.89 19.44 Favored Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 111.374 -0.69 . . . . 0.0 111.374 -177.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1092 ' ' GLU . . . . . 0.6 ' HB2' HD12 ' A' 1089 ' ' ILE . 5.2 tp10 -82.73 161.73 21.98 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.368 0.604 . . . . 0.0 111.029 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 71.3 t -126.79 118.3 50.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.123 -175.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1094 ' ' ILE . . . . . 0.549 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 19.7 mt -113.92 131.42 65.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.69 -176.677 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1095 ' ' ILE . . . . . 0.427 HD13 ' HG3' ' A' 1071 ' ' ARG . 43.8 mm -92.09 122.13 43.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 174.348 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 29.3 t -81.89 114.87 23.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.918 0.39 . . . . 0.0 110.829 -174.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1097 ' ' THR . . . . . 0.505 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 19.0 p -103.06 -15.04 16.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.664 -177.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -167.97 -172.36 34.89 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.52 -0.848 . . . . 0.0 112.747 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -144.31 138.33 27.82 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 -179.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1100 ' ' GLU . . . . . 0.762 ' HG2' ' HE ' ' B' 1589 ' ' ARG . 5.9 tp10 -114.39 -39.17 3.89 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.779 0.799 . . . . 0.0 109.141 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1101 ' ' ASP . . . . . 0.688 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 6.8 t70 -138.69 173.6 11.41 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.889 -1.05 . . . . 0.0 108.353 -177.701 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -65.61 -35.07 79.73 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.878 0.847 . . . . 0.0 109.145 177.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -112.86 12.06 19.37 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 114.22 -1.354 . . . . 0.0 110.44 -174.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1104 ' ' TRP . . . . . 0.688 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 83.5 m95 -139.85 104.16 4.82 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.407 -178.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 44.8 m0 -108.44 165.56 11.43 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.072 0.463 . . . . 0.0 110.311 -177.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1106 ' ' ILE . . . . . 0.663 HG12 HG22 ' A' 1118 ' ' VAL . 63.9 mt -115.41 134.12 59.56 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.005 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.319 -175.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1107 ' ' GLY . . . . . 0.505 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -171.68 -163.18 25.19 Favored Glycine 0 N--CA 1.437 -1.291 0 C-N-CA 119.956 -1.116 . . . . 0.0 112.5 178.668 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1108 ' ' HIS . . . . . 0.533 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 30.3 p80 -149.16 150.82 33.29 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -178.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.5 HG22 ' H ' ' A' 1111 ' ' GLY . 28.8 mm -63.31 137.58 24.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.748 178.691 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -67.66 -33.35 74.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.731 -178.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1111 ' ' GLY . . . . . 0.5 ' H ' HG22 ' A' 1109 ' ' ILE . . . -80.85 -38.11 17.18 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.59 -0.814 . . . . 0.0 111.981 177.094 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -117.67 85.95 22.74 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 178.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -62.9 -26.68 74.46 Favored 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 123.091 2.528 . . . . 0.0 114.017 -172.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1114 ' ' GLU . . . . . 0.42 ' H ' ' HG3' ' A' 1114 ' ' GLU . 0.0 OUTLIER -89.54 -2.54 58.38 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.172 0.51 . . . . 0.0 111.024 -178.7 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1115 ' ' ARG . . . . . 0.445 HH11 ' HD3' ' A' 1115 ' ' ARG . 57.6 mtt-85 -90.12 92.98 9.19 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 170.057 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1116 ' ' LYS . . . . . 0.533 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 7.4 ptmm? -137.69 160.98 37.72 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.166 -1.379 . . . . 0.0 110.956 -167.582 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 155.9 -161.88 30.95 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 121.045 -0.598 . . . . 0.0 111.9 -177.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1118 ' ' VAL . . . . . 0.663 HG22 HG12 ' A' 1106 ' ' ILE . 10.6 t -104.48 123.13 58.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.129 0.49 . . . . 0.0 110.464 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1119 ' ' PHE . . . . . 0.702 ' HB3' ' HB3' ' A' 1086 ' ' LEU . 24.1 p90 -117.2 146.94 39.33 Favored Pre-proline 0 C--N 1.318 -0.775 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.289 -177.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1120 ' ' PRO . . . . . 0.418 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 54.5 Cg_endo -77.21 126.63 8.65 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.38 2.053 . . . . 0.0 112.515 177.665 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1121 ' ' VAL . . . . . 0.545 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 91.2 t -64.01 -18.51 22.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.174 -178.747 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 16.3 m -64.15 -28.8 70.01 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -178.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1123 ' ' PHE . . . . . 0.705 ' HB3' ' HB2' ' A' 1076 ' ' TYR . 0.1 OUTLIER -104.54 -0.14 28.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.26 0.552 . . . . 0.0 109.851 -174.337 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.57 HG12 ' HA ' ' A' 1074 ' ' THR . 19.3 m -124.92 172.08 12.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.102 178.445 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1125 ' ' HIS . . . . . 0.443 ' HB2' HD13 ' A' 1075 ' ' ILE . 69.8 t60 -139.26 132.74 30.27 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.54 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1126 ' ' ILE . . . . . 0.61 ' HA ' HG12 ' A' 1072 ' ' VAL . 2.9 mp -73.86 131.91 34.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.847 -178.5 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1127 ' ' LEU . . . . . 0.742 HD11 ' HB2' ' A' 1073 ' ' LYS . 14.7 mt -103.48 67.65 0.92 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.302 -176.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 22.6 t -112.5 23.7 13.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.528 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 30.7 t70 . . . . . 0 C--O 1.246 0.912 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.339 179.124 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 66.9 m . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.826 0.346 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 58.7 mt -82.33 132.95 30.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.502 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1580 ' ' ILE . . . . . 0.548 ' HB ' HD12 ' A' 1075 ' ' ILE . 1.6 mp -98.17 101.24 11.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.951 0.405 . . . . 0.0 109.91 178.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 12.8 t 74.74 -140.99 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.794 -176.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -120.38 157.37 29.43 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 173.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1583 ' ' MET . . . . . 0.688 ' HA ' ' CE1' ' A' 1076 ' ' TYR . 30.1 ttm -41.1 118.58 1.67 Allowed Pre-proline 0 N--CA 1.469 0.479 0 O-C-N 123.857 0.723 . . . . 0.0 112.631 -168.403 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1584 ' ' PRO . . . . . 0.588 ' HD3' ' CZ ' ' A' 1076 ' ' TYR . 69.7 Cg_endo -73.08 -177.09 2.73 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 122.796 2.33 . . . . 0.0 110.228 179.496 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 1.4 m -110.26 122.29 47.29 Favored 'General case' 0 C--N 1.304 -1.39 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.004 -177.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1586 ' ' LYS . . . . . 0.47 ' HB3' ' HE2' ' B' 1586 ' ' LYS . 3.0 tmmm? -63.9 94.46 0.1 Allowed 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 171.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 16.2 m -72.65 21.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.293 -1.321 . . . . 0.0 112.963 -165.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1588 ' ' SER . . . . . 0.429 ' H ' ' C ' ' B' 1586 ' ' LYS . 27.0 m 65.2 156.31 0.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.797 0.808 . . . . 0.0 111.019 -175.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1589 ' ' ARG . . . . . 0.885 ' HB3' ' HB2' ' B' 1592 ' ' LYS . 18.8 ttt180 -105.42 117.74 34.79 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.76 -176.608 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1590 ' ' LYS . . . . . 0.668 ' H ' ' HE3' ' B' 1590 ' ' LYS . 0.0 OUTLIER -69.87 -35.69 74.87 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.416 0.627 . . . . 0.0 109.564 -176.697 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B 1591 ' ' ALA . . . . . 0.516 ' HB3' ' HG3' ' A' 1100 ' ' GLU . . . -94.56 33.94 1.37 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.354 174.25 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1592 ' ' LYS . . . . . 0.885 ' HB2' ' HB3' ' B' 1589 ' ' ARG . 41.6 tptt -79.5 91.54 5.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.717 177.109 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1593 ' ' LYS . . . . . 0.419 ' HA ' ' HD3' ' B' 1594 ' ' PRO . 3.8 mppt? -75.85 116.68 57.6 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.048 177.153 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1594 ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' B' 1593 ' ' LYS . 6.0 Cg_exo -78.49 52.82 4.3 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 123.276 2.651 . . . . 0.0 111.578 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . -70.68 111.28 6.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.348 -177.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 25.3 tt0 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.152 -0.928 . . . . 0.0 109.896 176.525 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 27.4 m . . . . . 0 N--CA 1.484 1.258 0 CA-C-O 120.687 0.279 . . . . 0.0 111.317 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 1070 ' ' ARG . . . . . 0.634 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 14.1 ttm180 -102.42 148.22 25.77 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1071 ' ' ARG . . . . . 0.401 ' HE ' HG11 ' A' 1093 ' ' VAL . 78.8 ttt180 -117.12 135.5 53.71 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 178.725 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1072 ' ' VAL . . . . . 0.716 HG12 ' HA ' ' A' 1126 ' ' ILE . 19.4 m -134.05 157.57 41.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.757 0.313 . . . . 0.0 110.446 178.3 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1073 ' ' LYS . . . . . 0.695 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.5 OUTLIER -126.11 137.28 53.59 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 177.9 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1074 ' ' THR . . . . . 0.553 ' HA ' HG12 ' A' 1124 ' ' VAL . 63.9 p -74.46 119.49 18.73 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.174 0.512 . . . . 0.0 110.875 -176.37 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1075 ' ' ILE . . . . . 0.538 HD12 ' HB ' ' B' 1580 ' ' ILE . 10.5 pt -97.35 -0.94 10.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.789 0.804 . . . . 0.0 109.511 177.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1076 ' ' TYR . . . . . 0.722 ' HB2' ' HB3' ' A' 1123 ' ' PHE . 33.8 m-85 -146.33 173.96 11.79 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.258 -1.337 . . . . 0.0 110.878 178.553 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1077 ' ' ASP . . . . . 0.527 ' HB2' HG22 ' A' 1089 ' ' ILE . 7.2 p-10 -111.35 127.96 55.82 Favored 'General case' 0 N--CA 1.441 -0.925 0 CA-C-N 115.274 -0.875 . . . . 0.0 108.976 173.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1078 ' ' CYS . . . . . 0.723 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 43.6 t -135.26 145.94 48.09 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.904 -178.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1079 ' ' GLN . . . . . 0.594 ' HA ' HG23 ' A' 1087 ' ' THR . 60.9 tt0 -120.02 159.65 24.33 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.874 178.535 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1080 ' ' ALA . . . . . 0.55 ' CB ' ' HG2' ' A' 1085 ' ' GLU . . . -25.28 138.27 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 115.684 1.735 . . . . 0.0 115.684 178.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1081 ' ' ASP . . . . . 0.573 ' OD2' ' HD3' ' B' 1592 ' ' LYS . 32.2 t0 -112.02 -19.12 12.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.479 -1.237 . . . . 0.0 109.558 173.276 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1082 ' ' ASN . . . . . 0.613 ' HB3' HH21 ' B' 1589 ' ' ARG . 10.1 t-20 -161.02 -168.92 2.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.212 -174.479 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 19.2 t70 -69.08 -41.0 78.11 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 118.073 0.397 . . . . 0.0 111.61 -175.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -107.11 89.17 2.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.627 0.727 . . . . 0.0 110.556 -178.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1085 ' ' GLU . . . . . 0.55 ' HG2' ' CB ' ' A' 1080 ' ' ALA . 0.0 OUTLIER -133.76 -166.53 1.8 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.393 -179.563 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1086 ' ' LEU . . . . . 0.471 HD12 ' CA ' ' A' 1116 ' ' LYS . 7.2 tt -144.58 106.27 4.28 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.227 171.088 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1087 ' ' THR . . . . . 0.594 HG23 ' HA ' ' A' 1079 ' ' GLN . 69.9 m -79.81 131.71 35.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.144 178.647 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1088 ' ' PHE . . . . . 0.634 ' HE2' ' HB2' ' A' 1119 ' ' PHE . 10.9 p90 -141.28 162.14 36.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.995 0.426 . . . . 0.0 111.242 -176.515 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1089 ' ' ILE . . . . . 0.667 HD12 ' HG2' ' A' 1092 ' ' GLU . 1.8 pp -127.16 154.72 37.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.894 176.354 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -55.38 122.63 11.61 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 123.555 0.534 . . . . 0.0 111.03 -176.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 117.0 -10.54 15.29 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.642 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1092 ' ' GLU . . . . . 0.667 ' HG2' HD12 ' A' 1089 ' ' ILE . 44.0 mm-40 -81.18 157.86 25.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.042 0.449 . . . . 0.0 111.365 177.097 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1093 ' ' VAL . . . . . 0.401 HG11 ' HE ' ' A' 1071 ' ' ARG . 87.4 t -122.42 126.54 74.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.497 178.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1094 ' ' ILE . . . . . 0.643 HG12 HD13 ' A' 1109 ' ' ILE . 12.8 mt -116.76 130.67 71.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-O 120.929 0.395 . . . . 0.0 110.829 -175.354 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 50.0 mm -90.38 105.28 16.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.407 175.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1096 ' ' VAL . . . . . 0.634 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 50.7 t -69.83 113.94 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.208 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 11.5 p -103.93 -19.02 14.37 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.737 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -159.83 -170.3 24.23 Favored Glycine 0 N--CA 1.442 -0.951 0 C-N-CA 120.419 -0.896 . . . . 0.0 112.624 -177.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1099 ' ' GLU . . . . . 0.435 ' HA ' ' HA ' ' A' 1105 ' ' TRP . 25.9 tt0 -152.6 131.83 12.77 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -177.092 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1100 ' ' GLU . . . . . 0.412 ' HG2' ' CB ' ' B' 1591 ' ' ALA . 18.9 tt0 -106.93 -40.62 5.42 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.106 -0.638 . . . . 0.0 109.51 -175.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1101 ' ' ASP . . . . . 0.406 ' OD2' ' HB2' ' A' 1104 ' ' TRP . 2.0 p30 -146.4 179.95 7.17 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 168.607 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -54.2 -42.6 69.92 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -173.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1103 ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' 1120 ' ' PRO . 32.3 tt0 -112.73 11.79 19.51 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.361 0.601 . . . . 0.0 110.286 -170.67 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1104 ' ' TRP . . . . . 0.566 ' CD1' ' HA ' ' B' 1589 ' ' ARG . 73.9 m95 -139.02 106.63 5.59 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.78 179.136 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1105 ' ' TRP . . . . . 0.435 ' HA ' ' HA ' ' A' 1099 ' ' GLU . 46.3 m0 -108.11 167.38 10.04 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.907 -175.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 54.0 mt -115.94 134.54 58.94 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.936 -176.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1107 ' ' GLY . . . . . 0.418 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -174.1 -169.02 35.79 Favored Glycine 0 N--CA 1.438 -1.193 0 C-N-CA 120.129 -1.034 . . . . 0.0 112.249 178.41 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 17.4 p-80 -139.77 144.74 37.55 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.732 0.301 . . . . 0.0 110.441 -178.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.694 HG22 ' H ' ' A' 1111 ' ' GLY . 40.1 mm -60.86 131.22 25.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.248 178.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -64.12 -25.15 67.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.646 -177.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1111 ' ' GLY . . . . . 0.694 ' H ' HG22 ' A' 1109 ' ' ILE . . . -101.65 5.6 54.42 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.865 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -156.22 92.16 2.58 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.564 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1113 ' ' PRO . . . . . 0.466 ' O ' ' HE3' ' A' 1116 ' ' LYS . 48.3 Cg_endo -66.87 -17.55 51.87 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 123.013 2.475 . . . . 0.0 113.475 -173.334 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1114 ' ' GLU . . . . . 0.552 ' HA ' ' HE3' ' A' 1116 ' ' LYS . 17.4 mt-10 -89.5 -17.47 28.57 Favored 'General case' 0 CA--C 1.509 -0.596 0 CA-C-O 120.998 0.427 . . . . 0.0 110.732 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -83.91 89.66 7.26 Favored 'General case' 0 N--CA 1.439 -1.009 0 C-N-CA 120.254 -0.578 . . . . 0.0 109.579 175.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1116 ' ' LYS . . . . . 0.552 ' HE3' ' HA ' ' A' 1114 ' ' GLU . 0.1 OUTLIER -126.81 172.38 10.43 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.745 176.723 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1117 ' ' GLY . . . . . 0.526 ' HA3' ' O ' ' A' 1085 ' ' GLU . . . 144.42 -159.49 27.75 Favored Glycine 0 N--CA 1.442 -0.963 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.732 179.494 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1118 ' ' VAL . . . . . 0.597 HG21 ' NH1' ' B' 1589 ' ' ARG . 2.1 t -103.51 127.07 57.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 120.851 0.358 . . . . 0.0 110.513 -177.512 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1119 ' ' PHE . . . . . 0.634 ' HB2' ' HE2' ' A' 1088 ' ' PHE . 23.4 p90 -124.33 142.83 41.21 Favored Pre-proline 0 C--N 1.319 -0.744 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.992 -177.504 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1120 ' ' PRO . . . . . 0.527 ' HG3' ' SG ' ' A' 1078 ' ' CYS . 55.7 Cg_endo -74.78 125.43 9.44 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.744 2.296 . . . . 0.0 112.594 -178.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1121 ' ' VAL . . . . . 0.552 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 75.9 t -64.28 -19.68 25.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.782 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1122 ' ' SER . . . . . 0.599 ' HB2' ' CD1' ' A' 1123 ' ' PHE . 1.2 m -59.83 -33.38 71.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.978 -179.458 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1123 ' ' PHE . . . . . 0.723 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.1 OUTLIER -104.69 4.57 32.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.839 0.352 . . . . 0.0 110.313 -172.408 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.553 HG12 ' HA ' ' A' 1074 ' ' THR . 16.4 m -128.54 157.3 41.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.885 0.374 . . . . 0.0 111.36 -178.066 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 52.7 t60 -117.48 129.75 56.01 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.158 0.504 . . . . 0.0 110.102 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1126 ' ' ILE . . . . . 0.716 ' HA ' HG12 ' A' 1072 ' ' VAL . 2.1 mp -75.02 128.29 36.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.485 -178.544 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1127 ' ' LEU . . . . . 0.695 HD11 ' HB2' ' A' 1073 ' ' LYS . 65.2 mt -110.92 62.89 0.61 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.739 -178.189 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 12.6 p -99.4 33.67 2.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.128 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 41.1 m-20 . . . . . 0 C--O 1.248 1.002 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.976 -179.47 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 74.7 m . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 120.985 0.422 . . . . 0.0 110.69 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B 1579 ' ' ILE . . . . . 0.471 HG23 ' CE1' ' A' 1076 ' ' TYR . 44.0 mm -84.05 113.96 23.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.481 178.145 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1580 ' ' ILE . . . . . 0.538 ' HB ' HD12 ' A' 1075 ' ' ILE . 1.6 mp -86.29 102.32 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.304 -179.084 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1581 ' ' SER . . . . . 0.45 ' HB2' ' O ' ' B' 1580 ' ' ILE . 49.6 m 75.03 -136.97 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.692 -174.592 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -124.42 156.94 36.29 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 172.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1583 ' ' MET . . . . . 0.648 ' HA ' ' CE1' ' A' 1076 ' ' TYR . 30.3 ttm -41.39 119.69 1.91 Allowed Pre-proline 0 CA--C 1.517 -0.305 0 O-C-N 124.044 0.84 . . . . 0.0 112.667 -168.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1584 ' ' PRO . . . . . 0.471 ' HD3' ' CZ ' ' A' 1076 ' ' TYR . 57.2 Cg_endo -71.91 171.92 15.63 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 122.522 2.148 . . . . 0.0 109.671 175.482 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 19.1 m -103.82 134.2 47.51 Favored 'General case' 0 C--N 1.306 -1.293 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.375 -175.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1586 ' ' LYS . . . . . 0.547 ' HD3' ' HB2' ' A' 1081 ' ' ASP . 35.6 ttmt -61.42 101.07 0.15 Allowed 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 172.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 16.3 p -73.65 6.32 3.22 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.858 -165.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1588 ' ' SER . . . . . . . . . . . . . 33.8 t 67.15 111.96 0.04 OUTLIER 'General case' 0 CA--C 1.516 -0.331 0 O-C-N 123.76 0.662 . . . . 0.0 109.488 -173.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1589 ' ' ARG . . . . . 0.882 ' HB3' ' HG3' ' B' 1592 ' ' LYS . 14.7 ttp180 -58.14 124.52 19.68 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.729 -178.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1590 ' ' LYS . . . . . 0.543 ' HD2' ' H ' ' B' 1590 ' ' LYS . 3.5 mptp? -71.31 -23.72 62.0 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.855 -173.686 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1591 ' ' ALA . . . . . 0.412 ' CB ' ' HG2' ' A' 1100 ' ' GLU . . . -103.19 29.79 5.3 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.149 178.231 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1592 ' ' LYS . . . . . 0.882 ' HG3' ' HB3' ' B' 1589 ' ' ARG . 48.4 mtmt -67.17 152.97 44.78 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 121.273 0.558 . . . . 0.0 110.629 175.492 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B 1593 ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -104.66 128.45 26.84 Favored Pre-proline 0 C--N 1.318 -0.783 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 173.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1594 ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -49.57 96.74 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.328 2.685 . . . . 0.0 113.03 -176.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . -144.77 -175.37 4.64 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.694 178.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.446 -0.788 . . . . 0.0 110.089 -178.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 73.2 t . . . . . 0 N--CA 1.477 0.883 0 CA-C-O 121.218 0.532 . . . . 0.0 110.209 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 1070 ' ' ARG . . . . . 0.463 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 21.0 ttp180 -87.56 114.74 24.45 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.448 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1071 ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' 1071 ' ' ARG . 46.2 ttt-85 -120.99 136.84 54.89 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.518 -172.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1072 ' ' VAL . . . . . 0.583 HG12 ' HA ' ' A' 1126 ' ' ILE . 34.9 m -130.78 152.65 37.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.903 0.382 . . . . 0.0 110.795 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1073 ' ' LYS . . . . . 0.983 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.1 OUTLIER -115.57 135.31 54.2 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 177.01 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1074 ' ' THR . . . . . 0.609 ' HA ' HG12 ' A' 1124 ' ' VAL . 51.2 p -74.66 111.51 9.93 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.491 0.662 . . . . 0.0 109.771 179.44 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1075 ' ' ILE . . . . . 0.685 HG13 ' CD2' ' A' 1076 ' ' TYR . 19.8 pt -96.21 -3.44 10.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.812 0.815 . . . . 0.0 109.943 -178.408 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1076 ' ' TYR . . . . . 0.703 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 98.6 m-85 -139.48 -179.13 5.72 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.123 -1.399 . . . . 0.0 109.848 176.39 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1077 ' ' ASP . . . . . 0.42 ' O ' ' HE1' ' B' 1583 ' ' MET . 4.5 p30 -116.27 135.3 54.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.829 174.435 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1078 ' ' CYS . . . . . 0.72 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 38.7 t -140.32 148.69 41.74 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.031 -176.76 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1079 ' ' GLN . . . . . 0.595 ' HA ' HG23 ' A' 1087 ' ' THR . 39.9 tt0 -127.25 143.37 51.26 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.745 0.783 . . . . 0.0 112.05 -178.465 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1080 ' ' ALA . . . . . 0.576 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -72.63 142.94 48.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.24 -1.345 . . . . 0.0 112.54 -174.721 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -91.2 -44.24 9.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.244 172.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 5.7 m120 -118.07 174.67 6.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.175 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.69 -30.12 68.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.788 0.328 . . . . 0.0 111.724 -176.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 33.7 t70 -75.84 -10.79 59.73 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.481 -173.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1085 ' ' GLU . . . . . 0.576 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 4.9 mm-40 -79.65 -175.54 4.88 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 178.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1086 ' ' LEU . . . . . 0.531 HD12 ' C ' ' A' 1116 ' ' LYS . 5.4 tt -136.61 111.55 8.89 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.978 0.418 . . . . 0.0 110.835 178.283 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1087 ' ' THR . . . . . 0.595 HG23 ' HA ' ' A' 1079 ' ' GLN . 63.8 m -80.4 122.36 26.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.062 174.661 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1088 ' ' PHE . . . . . 0.756 ' HZ ' ' HB2' ' A' 1123 ' ' PHE . 5.7 p90 -135.46 153.14 51.86 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.32 178.555 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1089 ' ' ILE . . . . . 0.654 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -117.37 158.63 17.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 174.769 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -55.64 123.38 13.88 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 123.559 0.537 . . . . 0.0 110.491 -177.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 117.35 -9.42 15.15 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.687 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -81.89 153.23 26.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.117 0.484 . . . . 0.0 110.91 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1093 ' ' VAL . . . . . 0.526 HG22 ' HG2' ' A' 1073 ' ' LYS . 63.2 t -119.42 127.17 75.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.551 176.399 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1094 ' ' ILE . . . . . 0.666 HG12 HD13 ' A' 1109 ' ' ILE . 20.9 mt -114.49 134.83 56.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.972 0.415 . . . . 0.0 111.093 -175.62 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 49.9 mm -93.17 117.85 37.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 173.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1096 ' ' VAL . . . . . 0.463 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 50.9 t -78.59 115.59 21.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.976 0.417 . . . . 0.0 110.483 -176.485 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1097 ' ' THR . . . . . 0.569 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 9.6 p -104.39 -12.04 16.78 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.955 -179.46 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -165.97 -178.28 38.72 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.242 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1099 ' ' GLU . . . . . 0.474 ' HG3' ' CD1' ' A' 1105 ' ' TRP . 47.7 tt0 -147.63 129.68 15.43 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -178.005 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1100 ' ' GLU . . . . . 0.773 ' HG2' ' HE ' ' B' 1589 ' ' ARG . 7.0 tp10 -103.72 -51.65 3.14 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.659 -177.121 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1101 ' ' ASP . . . . . 0.439 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 21.2 t70 -138.61 175.81 9.24 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -179.582 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -60.97 -38.62 86.58 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.119 0.485 . . . . 0.0 109.744 177.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1103 ' ' GLU . . . . . 0.662 ' HA ' ' HB ' ' A' 1121 ' ' VAL . 5.0 mm-40 -100.86 8.14 43.32 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.548 -177.575 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1104 ' ' TRP . . . . . 0.44 ' CD1' ' HA ' ' B' 1589 ' ' ARG . 92.7 m95 -141.59 101.89 4.07 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.048 0.451 . . . . 0.0 111.708 -176.192 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1105 ' ' TRP . . . . . 0.474 ' CD1' ' HG3' ' A' 1099 ' ' GLU . 45.5 m0 -106.34 164.08 12.31 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.787 178.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1106 ' ' ILE . . . . . 0.866 HG12 HG22 ' A' 1118 ' ' VAL . 54.6 mt -115.75 135.96 54.17 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.772 -175.625 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1107 ' ' GLY . . . . . 0.569 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -177.55 -158.54 20.82 Favored Glycine 0 N--CA 1.439 -1.159 0 C-N-CA 119.523 -1.322 . . . . 0.0 113.043 177.637 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 13.0 p-80 -151.11 151.47 32.0 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -178.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.666 HD13 HG12 ' A' 1094 ' ' ILE . 47.8 mm -61.06 133.1 26.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 O-C-N 123.293 0.371 . . . . 0.0 110.395 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -50.65 -59.59 3.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 123.296 0.372 . . . . 0.0 111.86 -172.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -89.11 5.45 84.36 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.726 -0.75 . . . . 0.0 113.258 -177.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1112 ' ' GLN . . . . . 0.434 ' O ' ' HB ' ' A' 1109 ' ' ILE . 53.6 tt0 -147.56 78.97 9.77 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 121.513 0.673 . . . . 0.0 110.009 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -61.06 -26.89 83.64 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 123.841 3.027 . . . . 0.0 114.994 -172.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -73.15 -14.92 61.46 Favored 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 120.122 -0.631 . . . . 0.0 112.024 -178.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -81.91 90.28 6.44 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 166.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1116 ' ' LYS . . . . . 0.531 ' C ' HD12 ' A' 1086 ' ' LEU . 50.8 pttt -137.74 155.34 49.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.167 -171.344 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 149.07 -166.62 29.43 Favored Glycine 0 N--CA 1.44 -1.063 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.218 -178.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1118 ' ' VAL . . . . . 0.866 HG22 HG12 ' A' 1106 ' ' ILE . 16.8 t -96.54 126.29 49.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 121.105 0.478 . . . . 0.0 110.417 178.689 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1119 ' ' PHE . . . . . 0.642 ' HB2' ' HE2' ' A' 1088 ' ' PHE . 25.3 p90 -121.1 149.24 50.97 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.807 -174.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1120 ' ' PRO . . . . . 0.651 ' HA ' ' O ' ' A' 1103 ' ' GLU . 64.4 Cg_endo -79.18 122.85 5.37 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 122.406 2.07 . . . . 0.0 112.909 -178.254 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1121 ' ' VAL . . . . . 0.662 ' HB ' ' HA ' ' A' 1103 ' ' GLU . 8.3 t -58.48 -25.65 28.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 114.548 -1.205 . . . . 0.0 110.445 176.356 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1122 ' ' SER . . . . . 0.578 ' HB2' ' HD1' ' A' 1123 ' ' PHE . 0.7 OUTLIER -58.48 -29.19 66.02 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.344 178.625 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1123 ' ' PHE . . . . . 0.756 ' HB2' ' HZ ' ' A' 1088 ' ' PHE . 0.8 OUTLIER -107.35 3.27 25.16 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.959 0.409 . . . . 0.0 111.413 -173.303 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.609 HG12 ' HA ' ' A' 1074 ' ' THR . 10.8 m -129.63 162.56 36.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.757 0.313 . . . . 0.0 111.014 -177.652 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1125 ' ' HIS . . . . . 0.568 ' HB2' HD13 ' A' 1075 ' ' ILE . 80.3 t60 -126.87 132.45 50.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.866 0.365 . . . . 0.0 110.104 -178.507 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1126 ' ' ILE . . . . . 0.583 ' HA ' HG12 ' A' 1072 ' ' VAL . 1.9 mp -72.65 123.33 27.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.432 -177.538 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1127 ' ' LEU . . . . . 0.983 HD11 ' HB2' ' A' 1073 ' ' LYS . 89.2 mt -102.02 15.81 27.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.015 -177.261 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 49.0 m -89.33 19.72 4.24 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.592 0.71 . . . . 0.0 109.822 174.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 6.0 t70 . . . . . 0 C--O 1.245 0.841 0 CA-C-N 114.875 -1.057 . . . . 0.0 108.92 177.424 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 36.9 t . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 15.3 mt -66.55 121.19 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-O 121.054 0.454 . . . . 0.0 109.821 172.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1580 ' ' ILE . . . . . 0.538 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.5 mp -72.88 111.81 7.91 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.815 177.143 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 49.2 m 58.84 -154.86 0.36 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.87 0.367 . . . . 0.0 111.382 174.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -87.99 149.43 24.03 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 171.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1583 ' ' MET . . . . . 0.567 ' HA ' ' CE1' ' A' 1076 ' ' TYR . 9.3 ttm -63.59 136.22 96.61 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.061 -174.703 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1584 ' ' PRO . . . . . 0.703 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 77.2 Cg_endo -78.52 -176.12 3.1 Favored 'Trans proline' 0 N--CA 1.451 -1.023 0 C-N-CA 123.132 2.555 . . . . 0.0 110.036 175.057 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 60.8 m -116.54 141.97 47.48 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1586 ' ' LYS . . . . . . . . . . . . . 4.3 tttt -55.8 107.18 0.32 Allowed 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.472 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 6.2 m -75.13 77.06 2.29 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.331 -0.849 . . . . 0.0 109.46 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1588 ' ' SER . . . . . . . . . . . . . 49.6 m -27.9 116.62 0.09 Allowed 'General case' 0 N--CA 1.469 0.481 0 O-C-N 124.542 1.151 . . . . 0.0 113.339 -170.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1589 ' ' ARG . . . . . 0.773 ' HE ' ' HG2' ' A' 1100 ' ' GLU . 45.5 ttt180 -46.73 110.14 0.26 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.45 -1.25 . . . . 0.0 111.625 -176.344 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1590 ' ' LYS . . . . . 0.406 ' HD2' ' N ' ' B' 1590 ' ' LYS . 0.5 OUTLIER -69.33 -25.54 64.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.937 -170.388 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -82.9 -3.5 57.05 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.706 -177.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1592 ' ' LYS . . . . . 0.772 ' HD2' ' HD3' ' B' 1589 ' ' ARG . 16.3 ptmt -127.72 145.37 50.92 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.171 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1593 ' ' LYS . . . . . 0.402 ' HA ' ' HD3' ' B' 1593 ' ' LYS . 25.2 mmtp -110.12 97.66 31.29 Favored Pre-proline 0 C--N 1.319 -0.758 0 CA-C-O 120.777 0.322 . . . . 0.0 110.349 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1594 ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' B' 1592 ' ' LYS . 6.8 Cg_exo -73.87 71.76 4.06 Favored 'Trans proline' 0 C--O 1.237 0.428 0 C-N-CA 123.205 2.603 . . . . 0.0 112.283 -177.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . -61.21 -50.35 73.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.341 176.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 . . . . . 0 C--O 1.249 1.035 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.242 176.991 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 27.9 m . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 121.022 0.439 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A 1070 ' ' ARG . . . . . 0.687 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 10.0 ttm180 -139.05 161.11 38.17 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.265 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -120.78 130.48 54.02 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 121.79 -0.568 . . . . 0.0 111.265 -179.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1072 ' ' VAL . . . . . 0.552 HG12 ' HA ' ' A' 1126 ' ' ILE . 33.9 m -129.83 143.69 40.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.034 175.201 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1073 ' ' LYS . . . . . 0.738 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.4 OUTLIER -111.77 131.44 55.32 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 177.817 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1074 ' ' THR . . . . . 0.609 ' HA ' HG12 ' A' 1124 ' ' VAL . 67.9 p -71.56 124.5 24.82 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.323 -177.211 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1075 ' ' ILE . . . . . 0.629 ' HA ' ' OE1' ' A' 1090 ' ' GLU . 12.0 pt -106.47 9.74 9.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.855 0.836 . . . . 0.0 110.256 -179.047 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1076 ' ' TYR . . . . . 0.805 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 87.3 m-85 -157.55 166.29 33.3 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 113.942 -1.481 . . . . 0.0 110.599 -175.723 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1077 ' ' ASP . . . . . 0.439 ' HA ' ' HA ' ' A' 1089 ' ' ILE . 1.0 OUTLIER -101.11 120.9 40.89 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.239 174.257 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1078 ' ' CYS . . . . . 0.591 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 50.9 t -129.54 146.52 51.35 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 110.259 -0.275 . . . . 0.0 110.259 -176.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1079 ' ' GLN . . . . . 0.578 ' HA ' HG23 ' A' 1087 ' ' THR . 51.3 tt0 -124.37 141.65 51.91 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.929 0.871 . . . . 0.0 112.142 -179.518 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1080 ' ' ALA . . . . . 0.508 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -70.66 146.0 50.25 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 113.968 -1.469 . . . . 0.0 112.528 -176.423 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 25.0 t70 -96.91 -45.44 6.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.149 171.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1082 ' ' ASN . . . . . 0.444 ' O ' ' HB1' ' A' 1080 ' ' ALA . 13.8 m120 -92.68 156.79 16.83 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.992 170.529 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.27 -18.62 64.58 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.463 177.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 30.1 t70 -88.37 -7.64 56.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.899 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1085 ' ' GLU . . . . . 0.508 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 42.6 mt-10 -82.18 162.37 22.45 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 175.13 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1086 ' ' LEU . . . . . 0.613 ' HB3' ' HB3' ' A' 1119 ' ' PHE . 13.4 tp -103.95 121.8 43.89 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 120.735 0.302 . . . . 0.0 111.537 -176.075 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1087 ' ' THR . . . . . 0.578 HG23 ' HA ' ' A' 1079 ' ' GLN . 61.2 m -92.68 116.71 29.26 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 170.259 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1088 ' ' PHE . . . . . 0.666 ' HE2' ' HD2' ' A' 1120 ' ' PRO . 21.7 p90 -134.4 159.12 42.04 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.777 -176.365 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1089 ' ' ILE . . . . . 0.706 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -122.73 147.55 26.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 -177.659 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1090 ' ' GLU . . . . . 0.629 ' OE1' ' HA ' ' A' 1075 ' ' ILE . 0.8 OUTLIER -60.13 129.02 39.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.124 0.487 . . . . 0.0 111.018 -175.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 109.11 -5.11 31.89 Favored Glycine 0 N--CA 1.45 -0.38 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 -175.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1092 ' ' GLU . . . . . 0.43 ' HG3' HD12 ' A' 1109 ' ' ILE . 7.0 tp10 -89.75 161.43 16.05 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.618 -0.791 . . . . 0.0 109.924 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 60.9 t -128.64 130.38 68.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.948 -176.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1094 ' ' ILE . . . . . 0.47 HG21 ' CE1' ' A' 1119 ' ' PHE . 11.0 mt -116.8 129.66 72.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.954 0.407 . . . . 0.0 110.889 -177.453 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 46.8 mm -89.4 105.72 16.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 172.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1096 ' ' VAL . . . . . 0.687 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 58.8 t -69.52 117.57 12.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.125 -179.432 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1097 ' ' THR . . . . . 0.514 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 3.6 p -100.57 -22.09 15.08 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.585 178.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -161.02 -175.61 32.24 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.491 -178.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -141.89 141.17 33.02 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 -178.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1100 ' ' GLU . . . . . 0.526 ' HB2' HD11 ' A' 1106 ' ' ILE . 44.5 tt0 -120.6 -41.65 2.58 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.762 0.791 . . . . 0.0 108.956 178.604 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1101 ' ' ASP . . . . . 0.693 ' OD2' ' HG2' ' B' 1590 ' ' LYS . 5.9 t70 -121.9 174.85 6.62 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.556 -1.202 . . . . 0.0 108.266 -178.746 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -72.01 -37.47 69.78 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 170.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -108.22 10.65 27.81 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.892 -174.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1104 ' ' TRP . . . . . 0.672 ' HB2' ' CB ' ' A' 1101 ' ' ASP . 73.4 m95 -141.44 109.66 5.88 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.425 0.631 . . . . 0.0 110.921 179.68 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1105 ' ' TRP . . . . . 0.584 ' CH2' HD13 ' A' 1126 ' ' ILE . 44.8 m0 -110.72 165.33 11.92 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.341 -177.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1106 ' ' ILE . . . . . 0.526 HD11 ' HB2' ' A' 1100 ' ' GLU . 42.8 mt -116.87 136.68 53.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.69 -174.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1107 ' ' GLY . . . . . 0.514 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . 179.33 -164.6 32.83 Favored Glycine 0 N--CA 1.441 -1.03 0 C-N-CA 119.887 -1.149 . . . . 0.0 112.741 178.154 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -139.25 151.12 46.25 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -176.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.642 ' HB ' ' HB2' ' A' 1112 ' ' GLN . 34.2 mm -65.33 138.34 23.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.142 0.496 . . . . 0.0 110.661 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.59 -41.57 94.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.7 -178.531 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1111 ' ' GLY . . . . . 0.456 ' H ' HG22 ' A' 1109 ' ' ILE . . . -96.48 -0.87 60.82 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.504 179.1 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1112 ' ' GLN . . . . . 0.642 ' HB2' ' HB ' ' A' 1109 ' ' ILE . 78.9 mm-40 -141.15 79.64 17.7 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-O 121.075 0.464 . . . . 0.0 110.18 -178.471 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.63 -20.43 53.25 Favored 'Trans proline' 0 C--O 1.23 0.111 0 C-N-CA 123.482 2.788 . . . . 0.0 113.122 -174.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -88.95 -2.86 58.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.562 0.696 . . . . 0.0 110.269 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -104.27 90.22 3.49 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.602 174.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1116 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.25 173.28 7.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.931 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 150.2 -169.52 30.21 Favored Glycine 0 N--CA 1.443 -0.838 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.03 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1118 ' ' VAL . . . . . 0.507 HG22 HG12 ' A' 1106 ' ' ILE . 8.7 t -99.93 119.67 48.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.994 0.426 . . . . 0.0 110.156 179.007 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1119 ' ' PHE . . . . . 0.625 ' HZ ' HG22 ' A' 1096 ' ' VAL . 14.8 p90 -111.87 141.95 25.78 Favored Pre-proline 0 C--N 1.316 -0.862 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.368 -176.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1120 ' ' PRO . . . . . 0.666 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 59.3 Cg_endo -74.27 125.46 9.73 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 122.863 2.375 . . . . 0.0 111.891 177.516 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1121 ' ' VAL . . . . . 0.598 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 48.1 t -64.52 -15.87 18.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.604 0.716 . . . . 0.0 109.679 176.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1122 ' ' SER . . . . . 0.601 ' HB2' ' HD1' ' A' 1123 ' ' PHE . 1.0 OUTLIER -59.28 -31.36 69.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.8 178.683 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1123 ' ' PHE . . . . . 0.601 ' HD1' ' HB2' ' A' 1122 ' ' SER . 0.9 OUTLIER -110.41 6.56 22.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.941 0.401 . . . . 0.0 111.148 -173.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.609 HG12 ' HA ' ' A' 1074 ' ' THR . 18.2 m -129.57 159.3 41.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.931 -178.031 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 81.2 t60 -119.71 129.21 54.41 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1126 ' ' ILE . . . . . 0.584 HD13 ' CH2' ' A' 1105 ' ' TRP . 62.3 mt -85.87 137.77 20.26 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.705 -171.169 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1127 ' ' LEU . . . . . 0.738 HD11 ' HB2' ' A' 1073 ' ' LYS . 27.6 mt -122.45 85.77 2.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.47 0.653 . . . . 0.0 110.771 -174.43 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 8.6 t -87.9 10.96 16.98 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.008 177.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 35.3 t70 . . . . . 0 C--O 1.248 1.02 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.76 179.728 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 68.9 m . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 22.2 mt -56.65 123.36 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.258 0.552 . . . . 0.0 110.796 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1580 ' ' ILE . . . . . 0.541 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.5 mp -72.99 120.04 20.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.734 176.154 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 37.2 m 55.78 -147.71 0.51 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.671 0.272 . . . . 0.0 111.079 174.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -97.06 148.33 23.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.892 0.377 . . . . 0.0 110.038 171.064 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1583 ' ' MET . . . . . 0.482 ' HA ' ' CE1' ' A' 1076 ' ' TYR . 5.5 ttm -57.81 133.17 83.04 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.389 -176.579 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1584 ' ' PRO . . . . . 0.805 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 1.2 Cg_endo -82.46 -174.13 1.97 Allowed 'Trans proline' 0 N--CA 1.445 -1.343 0 C-N-CA 123.247 2.631 . . . . 0.0 111.268 176.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 24.0 m -125.3 139.3 53.82 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 179.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1586 ' ' LYS . . . . . 0.43 ' C ' ' H ' ' B' 1588 ' ' SER . 40.9 ttmt -48.89 111.22 0.44 Allowed 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.581 0.551 . . . . 0.0 110.592 179.02 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 6.3 m -74.63 17.8 0.19 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.773 -175.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1588 ' ' SER . . . . . 0.43 ' H ' ' C ' ' B' 1586 ' ' LYS . 16.0 m 66.31 143.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.957 0.884 . . . . 0.0 111.594 -177.109 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1589 ' ' ARG . . . . . 0.512 ' HD2' ' OE1' ' A' 1100 ' ' GLU . 7.3 ttp180 -90.74 120.59 31.91 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 173.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1590 ' ' LYS . . . . . 0.693 ' HG2' ' OD2' ' A' 1101 ' ' ASP . 2.9 mmtt -76.24 -21.63 56.13 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -175.198 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -97.7 29.26 3.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.396 172.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1592 ' ' LYS . . . . . 0.468 ' HE3' ' OE2' ' A' 1085 ' ' GLU . 22.4 tptm -71.43 124.68 25.16 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.164 178.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1593 ' ' LYS . . . . . 0.463 ' HA ' ' HD3' ' B' 1594 ' ' PRO . 17.7 ptpt -96.24 112.14 58.8 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-O 120.903 0.382 . . . . 0.0 110.263 175.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1594 ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' B' 1593 ' ' LYS . 3.0 Cg_exo -76.25 66.5 7.07 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.923 2.415 . . . . 0.0 111.807 179.659 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . -56.4 -53.12 61.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.321 178.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 . . . . . 0 C--O 1.244 0.801 0 CA-C-O 118.317 -0.849 . . . . 0.0 109.092 172.922 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 59.6 t . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 120.831 0.348 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 1070 ' ' ARG . . . . . 0.577 ' HG3' ' HB2' ' A' 1128 ' ' SER . 54.0 ttp180 -117.55 126.32 52.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.711 -178.697 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1071 ' ' ARG . . . . . 0.418 ' HG2' HD13 ' A' 1095 ' ' ILE . 70.3 mtt180 -105.98 143.98 33.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.169 0.509 . . . . 0.0 112.057 -177.152 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1072 ' ' VAL . . . . . 0.512 HG12 ' HA ' ' A' 1126 ' ' ILE . 30.7 m -130.14 143.98 39.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.215 -0.902 . . . . 0.0 108.86 169.562 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1073 ' ' LYS . . . . . 0.561 ' HG2' HG22 ' A' 1093 ' ' VAL . 0.1 OUTLIER -113.2 132.72 55.38 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.108 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1074 ' ' THR . . . . . 0.609 ' HA ' HG12 ' A' 1124 ' ' VAL . 44.4 p -73.71 120.5 19.39 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.247 0.546 . . . . 0.0 110.813 -176.273 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1075 ' ' ILE . . . . . 0.569 HG13 ' CD2' ' A' 1076 ' ' TYR . 17.1 pt -100.82 -3.49 9.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.458 -178.735 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1076 ' ' TYR . . . . . 0.766 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 94.5 m-85 -142.15 170.7 15.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.808 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1077 ' ' ASP . . . . . 0.442 ' HA ' ' HA ' ' A' 1089 ' ' ILE . 21.3 m-20 -99.51 109.45 21.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.354 174.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1078 ' ' CYS . . . . . 0.549 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 40.9 t -115.51 137.9 51.59 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.485 -177.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1079 ' ' GLN . . . . . 0.607 ' HA ' HG23 ' A' 1087 ' ' THR . 45.8 tt0 -124.59 145.68 49.47 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.91 0.862 . . . . 0.0 111.827 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1080 ' ' ALA . . . . . 0.643 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -88.44 144.14 26.55 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.41 -1.268 . . . . 0.0 111.508 -176.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 38.1 t70 -103.53 -27.31 12.44 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 173.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 14.6 m120 -110.83 151.3 27.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.05 175.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -65.37 -20.93 66.61 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.765 -175.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 30.5 t70 -85.13 -12.82 51.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1085 ' ' GLU . . . . . 0.643 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 72.7 mt-10 -87.66 153.47 21.35 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.256 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1086 ' ' LEU . . . . . 0.468 HD23 ' HB3' ' A' 1119 ' ' PHE . 16.0 tp -97.51 132.66 42.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.427 -178.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1087 ' ' THR . . . . . 0.607 HG23 ' HA ' ' A' 1079 ' ' GLN . 84.9 m -100.86 120.89 40.8 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 171.267 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1088 ' ' PHE . . . . . 0.545 ' CE1' ' HD2' ' A' 1120 ' ' PRO . 20.2 p90 -142.74 134.18 26.35 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.334 -177.25 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1089 ' ' ILE . . . . . 0.461 ' O ' HD12 ' A' 1089 ' ' ILE . 2.0 pp -97.72 159.14 3.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.002 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -58.68 122.94 14.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.155 -178.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 116.59 -7.22 17.99 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.519 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1092 ' ' GLU . . . . . 0.416 ' HA ' ' OE1' ' A' 1092 ' ' GLU . 3.9 mm-40 -85.9 156.03 20.69 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.278 0.561 . . . . 0.0 111.727 177.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1093 ' ' VAL . . . . . 0.561 HG22 ' HG2' ' A' 1073 ' ' LYS . 60.4 t -119.41 130.35 74.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.055 175.446 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1094 ' ' ILE . . . . . 0.797 HG12 HG12 ' A' 1109 ' ' ILE . 29.7 mt -116.7 134.42 60.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.333 -177.727 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1095 ' ' ILE . . . . . 0.418 HD13 ' HG2' ' A' 1071 ' ' ARG . 47.5 mm -88.53 110.15 20.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 175.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1096 ' ' VAL . . . . . 0.539 HG22 ' HZ ' ' A' 1119 ' ' PHE . 22.7 t -78.69 114.6 19.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.781 -176.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1097 ' ' THR . . . . . 0.593 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 3.3 p -98.73 -21.85 16.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.209 179.007 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -161.02 -169.08 23.79 Favored Glycine 0 N--CA 1.443 -0.857 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1099 ' ' GLU . . . . . 0.602 ' HA ' ' HA ' ' A' 1105 ' ' TRP . 0.2 OUTLIER -157.25 150.53 23.85 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.478 0.656 . . . . 0.0 109.78 175.378 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1100 ' ' GLU . . . . . 0.85 ' HG2' ' HE ' ' B' 1589 ' ' ARG . 7.6 tp10 -107.72 -50.48 3.06 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.053 -175.635 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1101 ' ' ASP . . . . . 0.518 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 29.4 t70 -125.76 172.94 9.4 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.373 -1.285 . . . . 0.0 107.604 176.553 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -63.0 -32.71 74.12 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.706 0.765 . . . . 0.0 109.116 175.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -102.72 1.57 34.59 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.318 -1.31 . . . . 0.0 111.34 -175.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1104 ' ' TRP . . . . . 0.518 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 77.9 m95 -135.91 99.52 4.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.134 -0.354 . . . . 0.0 111.234 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1105 ' ' TRP . . . . . 0.602 ' HA ' ' HA ' ' A' 1099 ' ' GLU . 39.7 m0 -100.98 162.61 12.77 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.505 -178.483 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 28.5 mt -119.79 140.35 44.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.83 -176.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1107 ' ' GLY . . . . . 0.593 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -178.4 -162.21 27.7 Favored Glycine 0 N--CA 1.44 -1.099 0 C-N-CA 119.299 -1.429 . . . . 0.0 113.245 175.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -138.09 137.25 37.57 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.797 HG12 HG12 ' A' 1094 ' ' ILE . 6.7 mt -65.43 141.04 18.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-O 121.396 0.617 . . . . 0.0 112.243 -173.699 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -71.28 125.7 27.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.79 -175.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1111 ' ' GLY . . . . . 0.418 ' O ' ' HD3' ' A' 1113 ' ' PRO . . . 95.55 -40.93 2.55 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.791 -0.718 . . . . 0.0 111.508 -177.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1112 ' ' GLN . . . . . 0.457 ' HB3' ' HD3' ' A' 1115 ' ' ARG . 1.5 mp0 -115.89 81.77 10.07 Favored Pre-proline 0 C--N 1.327 -0.399 0 N-CA-C 110.508 -0.182 . . . . 0.0 110.508 177.724 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1113 ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' 1111 ' ' GLY . 18.6 Cg_exo -67.73 -3.22 9.94 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.904 2.403 . . . . 0.0 112.069 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -76.03 -27.56 57.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.114 175.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1115 ' ' ARG . . . . . 0.457 ' HD3' ' HB3' ' A' 1112 ' ' GLN . 3.8 mpt_? -90.4 90.46 8.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.217 178.398 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1116 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.38 156.58 28.71 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 174.547 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 163.21 -168.38 37.92 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.195 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1118 ' ' VAL . . . . . 0.448 HG12 ' HE3' ' A' 1104 ' ' TRP . 13.8 t -105.84 117.33 51.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.259 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1119 ' ' PHE . . . . . 0.539 ' HZ ' HG22 ' A' 1096 ' ' VAL . 12.6 p90 -110.14 138.85 20.93 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.894 -0.593 . . . . 0.0 112.162 -176.496 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1120 ' ' PRO . . . . . 0.545 ' HD2' ' CE1' ' A' 1088 ' ' PHE . 53.9 Cg_endo -72.3 127.7 12.95 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 123.143 2.562 . . . . 0.0 112.211 175.044 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1121 ' ' VAL . . . . . 0.616 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 73.0 t -66.3 -13.48 16.09 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 121.594 0.711 . . . . 0.0 109.704 176.461 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1122 ' ' SER . . . . . 0.507 ' HB2' ' CD1' ' A' 1123 ' ' PHE . 0.9 OUTLIER -61.02 -25.84 67.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.703 178.916 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1123 ' ' PHE . . . . . 0.549 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 1.0 OUTLIER -115.39 5.79 14.66 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.854 0.359 . . . . 0.0 111.137 -175.394 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.616 ' CG2' ' HA ' ' A' 1121 ' ' VAL . 16.4 m -131.13 154.61 40.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 121.092 0.472 . . . . 0.0 111.646 -178.583 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -118.38 133.05 56.2 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 178.657 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1126 ' ' ILE . . . . . 0.512 ' HA ' HG12 ' A' 1072 ' ' VAL . 67.5 mt -83.12 129.37 37.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.094 0.474 . . . . 0.0 111.795 -171.641 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 8.0 mp -94.67 -41.64 9.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.653 -175.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 1128 ' ' SER . . . . . 0.577 ' HB2' ' HG3' ' A' 1070 ' ' ARG . 23.8 m -78.75 62.93 3.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.364 0.602 . . . . 0.0 110.515 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 12.8 t70 . . . . . 0 C--O 1.245 0.864 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.486 179.637 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 39.5 m . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 10.6 mt -71.75 123.68 26.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.279 0.561 . . . . 0.0 110.277 177.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1580 ' ' ILE . . . . . 0.422 ' O ' ' CE1' ' A' 1076 ' ' TYR . 1.6 mp -71.19 127.65 33.4 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.615 175.478 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 35.4 m 48.84 -143.72 0.47 Allowed 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 173.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -104.8 143.85 32.56 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 173.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1583 ' ' MET . . . . . 0.582 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 3.2 ttm -50.1 136.64 21.46 Favored Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -174.006 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1584 ' ' PRO . . . . . 0.766 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 87.3 Cg_endo -88.18 -174.84 1.22 Allowed 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 123.738 2.959 . . . . 0.0 110.999 177.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 28.0 m -126.05 135.18 51.46 Favored 'General case' 0 C--N 1.307 -1.282 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -178.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1586 ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -54.44 107.59 0.3 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 176.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 5.1 m -70.91 3.78 3.07 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.485 -174.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1588 ' ' SER . . . . . . . . . . . . . 26.1 t 71.93 149.38 0.09 Allowed 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.477 -178.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1589 ' ' ARG . . . . . 0.85 ' HE ' ' HG2' ' A' 1100 ' ' GLU . 38.9 ttt180 -93.05 119.29 32.13 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.796 -176.03 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1590 ' ' LYS . . . . . 0.474 ' HD2' ' H ' ' B' 1590 ' ' LYS . 7.7 mptt -65.48 -11.1 40.15 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.352 -174.403 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -100.46 3.25 42.86 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.59 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1592 ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' B' 1589 ' ' ARG . 20.8 ptmt -115.38 131.82 56.81 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 177.276 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1593 ' ' LYS . . . . . 0.482 ' HA ' ' HD3' ' B' 1594 ' ' PRO . 36.0 ttmt -108.33 128.28 25.96 Favored Pre-proline 0 C--N 1.316 -0.865 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.676 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1594 ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' B' 1593 ' ' LYS . 5.4 Cg_exo -75.47 48.56 2.15 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 123.17 2.58 . . . . 0.0 111.936 175.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . -86.43 76.22 9.66 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.835 178.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 . . . . . 0 C--O 1.25 1.111 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.997 -176.938 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 20.8 t . . . . . 0 N--CA 1.479 1.024 0 CA-C-O 121.556 0.693 . . . . 0.0 109.864 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 1070 ' ' ARG . . . . . 0.726 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 21.8 ttm180 -140.13 123.91 17.36 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 178.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 55.0 ttt-85 -98.24 127.7 44.31 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 120.25 -0.58 . . . . 0.0 111.122 -172.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1072 ' ' VAL . . . . . 0.61 HG12 ' HA ' ' A' 1126 ' ' ILE . 18.7 m -128.53 152.59 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.92 176.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1073 ' ' LYS . . . . . 0.638 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.3 OUTLIER -120.36 134.27 55.3 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 177.654 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1074 ' ' THR . . . . . 0.654 ' HA ' HG12 ' A' 1124 ' ' VAL . 65.4 p -71.43 115.83 11.05 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.455 0.645 . . . . 0.0 110.275 -177.749 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1075 ' ' ILE . . . . . 0.592 HD12 ' HB ' ' B' 1580 ' ' ILE . 11.1 pt -98.27 1.2 10.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-O 121.514 0.673 . . . . 0.0 109.714 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1076 ' ' TYR . . . . . 0.691 ' HB2' ' HB3' ' A' 1123 ' ' PHE . 32.5 m-85 -146.82 172.52 13.52 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.541 -1.209 . . . . 0.0 112.005 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -107.99 114.76 28.92 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.531 -1.213 . . . . 0.0 108.398 178.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1078 ' ' CYS . . . . . 0.602 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 47.0 t -126.32 145.43 50.44 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.999 0.428 . . . . 0.0 110.369 -177.052 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1079 ' ' GLN . . . . . 0.579 ' HA ' HG23 ' A' 1087 ' ' THR . 65.0 tt0 -126.78 145.63 50.55 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.224 -177.707 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1080 ' ' ALA . . . . . 0.608 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -66.13 143.42 57.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.384 -1.28 . . . . 0.0 112.365 -177.509 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -86.94 -35.5 18.87 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.688 173.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -134.99 178.47 7.0 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.813 -176.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 22.7 t70 -61.15 -40.3 93.32 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -172.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -94.83 51.98 1.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.232 0.539 . . . . 0.0 111.619 -173.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1085 ' ' GLU . . . . . 0.608 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 9.2 mm-40 -129.35 -173.69 3.07 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 174.149 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1086 ' ' LEU . . . . . 0.772 HD23 ' HB3' ' A' 1119 ' ' PHE . 15.8 tp -124.2 123.8 41.06 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.805 0.336 . . . . 0.0 111.34 176.525 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1087 ' ' THR . . . . . 0.579 HG23 ' HA ' ' A' 1079 ' ' GLN . 88.6 m -97.13 120.66 37.9 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 170.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1088 ' ' PHE . . . . . 0.783 ' HE2' ' HD2' ' A' 1120 ' ' PRO . 19.6 p90 -133.6 152.08 51.82 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 -178.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1089 ' ' ILE . . . . . 0.667 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -118.8 157.43 20.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.974 0.416 . . . . 0.0 110.87 178.547 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -61.21 125.19 22.87 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.817 -172.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 116.08 -10.49 17.78 Favored Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.008 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -84.95 158.26 20.58 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.123 0.487 . . . . 0.0 111.377 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1093 ' ' VAL . . . . . 0.543 HG22 ' HG2' ' A' 1073 ' ' LYS . 63.3 t -121.94 125.89 73.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.073 178.212 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1094 ' ' ILE . . . . . 0.658 HG12 HG12 ' A' 1109 ' ' ILE . 44.7 mt -114.45 134.69 56.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.404 -176.13 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 51.2 mm -94.58 108.53 20.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 176.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1096 ' ' VAL . . . . . 0.726 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 99.2 t -70.19 124.53 26.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.316 -178.618 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 14.8 p -111.95 -25.78 9.23 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.119 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -148.29 -176.09 21.46 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.507 -176.338 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1099 ' ' GLU . . . . . 0.438 ' HA ' ' HA ' ' A' 1105 ' ' TRP . 18.8 tt0 -153.96 129.53 9.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.839 0.352 . . . . 0.0 110.658 -175.663 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1100 ' ' GLU . . . . . 0.477 ' HG2' HD11 ' A' 1106 ' ' ILE . 23.3 mm-40 -106.56 -50.77 3.06 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.485 0.66 . . . . 0.0 109.958 178.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1101 ' ' ASP . . . . . 0.77 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 19.6 t70 -133.55 174.37 10.5 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.738 -174.47 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -60.15 -38.86 84.41 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1103 ' ' GLU . . . . . 0.659 ' O ' ' HA ' ' A' 1120 ' ' PRO . 13.0 mt-10 -112.45 21.19 15.95 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.166 -179.359 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1104 ' ' TRP . . . . . 0.77 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 94.5 m95 -141.92 100.57 3.77 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.182 0.515 . . . . 0.0 111.395 -179.089 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1105 ' ' TRP . . . . . 0.456 ' CZ3' ' HD2' ' A' 1070 ' ' ARG . 44.9 m0 -111.35 163.89 13.51 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.992 -179.021 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1106 ' ' ILE . . . . . 0.642 HG12 HG22 ' A' 1118 ' ' VAL . 56.0 mt -115.59 137.57 48.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -177.463 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1107 ' ' GLY . . . . . 0.402 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -175.47 -168.39 35.85 Favored Glycine 0 N--CA 1.436 -1.358 0 C-N-CA 119.573 -1.298 . . . . 0.0 112.429 177.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1108 ' ' HIS . . . . . 0.466 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 20.7 p-80 -139.78 144.42 37.38 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -178.703 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.658 HG12 HG12 ' A' 1094 ' ' ILE . 5.6 mt -70.03 141.42 17.14 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.402 -174.088 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -52.91 -62.08 1.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.78 -168.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -79.0 -25.4 59.96 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.56 -176.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -113.18 83.03 6.0 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 177.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -66.93 -22.86 47.9 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.199 2.599 . . . . 0.0 114.009 -169.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -89.09 -8.12 54.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.199 0.523 . . . . 0.0 110.656 -177.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -86.56 89.68 7.99 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 171.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1116 ' ' LYS . . . . . 0.466 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 16.3 pttp -130.13 158.58 39.28 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.787 -174.424 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 168.36 -163.23 36.99 Favored Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 -177.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1118 ' ' VAL . . . . . 0.642 HG22 HG12 ' A' 1106 ' ' ILE . 14.7 t -106.99 116.59 51.05 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 CA-C-O 121.11 0.481 . . . . 0.0 109.946 176.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1119 ' ' PHE . . . . . 0.772 ' HB3' HD23 ' A' 1086 ' ' LEU . 14.9 p90 -109.23 142.87 26.54 Favored Pre-proline 0 C--N 1.319 -0.744 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.701 -176.471 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1120 ' ' PRO . . . . . 0.783 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 62.4 Cg_endo -76.46 125.13 8.15 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.545 2.163 . . . . 0.0 112.432 176.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1121 ' ' VAL . . . . . 0.605 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 96.0 t -62.85 -19.28 22.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.746 179.12 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1122 ' ' SER . . . . . 0.53 ' HB2' ' CD1' ' A' 1123 ' ' PHE . 1.3 m -61.17 -31.32 71.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.925 -179.185 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1123 ' ' PHE . . . . . 0.691 ' HB3' ' HB2' ' A' 1076 ' ' TYR . 0.1 OUTLIER -107.0 2.84 25.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.105 0.479 . . . . 0.0 110.413 -174.073 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.654 HG12 ' HA ' ' A' 1074 ' ' THR . 16.0 m -125.43 158.33 33.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.391 179.443 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1125 ' ' HIS . . . . . 0.555 ' HB2' HD13 ' A' 1075 ' ' ILE . 82.8 t60 -120.69 131.93 54.82 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1126 ' ' ILE . . . . . 0.61 ' HA ' HG12 ' A' 1072 ' ' VAL . 2.1 mp -76.58 131.37 34.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.219 -177.485 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1127 ' ' LEU . . . . . 0.638 HD11 ' HB2' ' A' 1073 ' ' LYS . 43.3 mt -115.31 80.86 1.49 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.028 -179.458 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 32.6 m -89.47 20.41 3.92 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.543 -179.126 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 10.4 m-20 . . . . . 0 C--O 1.248 1.008 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.156 175.463 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 21.1 m . . . . . 0 N--CA 1.477 0.892 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 35.0 mt -94.18 133.94 33.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.991 0.424 . . . . 0.0 111.051 -177.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1580 ' ' ILE . . . . . 0.592 ' HB ' HD12 ' A' 1075 ' ' ILE . 1.6 mp -99.06 101.37 12.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.314 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1581 ' ' SER . . . . . 0.422 ' HB2' ' O ' ' B' 1580 ' ' ILE . 47.1 m 74.58 -140.89 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.19 -177.309 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -119.15 157.37 28.05 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 173.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1583 ' ' MET . . . . . 0.639 ' HA ' ' CE1' ' A' 1076 ' ' TYR . 31.9 ttm -42.01 119.52 2.17 Favored Pre-proline 0 C--O 1.236 0.391 0 O-C-N 123.925 0.765 . . . . 0.0 112.635 -170.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1584 ' ' PRO . . . . . 0.492 ' HD3' ' CZ ' ' A' 1076 ' ' TYR . 60.0 Cg_endo -71.75 -176.59 2.1 Favored 'Trans proline' 0 N--CA 1.454 -0.844 0 C-N-CA 123.062 2.508 . . . . 0.0 110.26 176.538 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 5.8 m -109.11 129.87 55.48 Favored 'General case' 0 N--CA 1.434 -1.23 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1586 ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -63.63 98.14 0.17 Allowed 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 174.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 19.9 m -71.67 77.87 0.83 Allowed 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.209 -178.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1588 ' ' SER . . . . . 0.639 ' O ' ' HD3' ' B' 1590 ' ' LYS . 4.5 m -29.48 128.03 0.1 Allowed 'General case' 0 N--CA 1.468 0.45 0 O-C-N 124.564 1.165 . . . . 0.0 113.39 -168.576 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1589 ' ' ARG . . . . . 0.482 ' HB3' ' HG2' ' B' 1592 ' ' LYS . 15.0 ttp85 -53.02 106.1 0.15 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.293 -0.867 . . . . 0.0 112.106 -172.005 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1590 ' ' LYS . . . . . 0.639 ' HD3' ' O ' ' B' 1588 ' ' SER . 0.0 OUTLIER -63.4 -15.7 58.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 114.828 -1.078 . . . . 0.0 111.374 -177.582 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -88.18 1.57 54.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.679 -177.213 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1592 ' ' LYS . . . . . 0.482 ' HG2' ' HB3' ' B' 1589 ' ' ARG . 17.9 ptmt -137.64 136.59 37.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.86 0.362 . . . . 0.0 110.366 178.63 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1593 ' ' LYS . . . . . 0.454 ' HA ' ' HD3' ' B' 1594 ' ' PRO . 31.5 mmtt -81.77 125.39 78.07 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.405 177.419 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B 1594 ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' B' 1593 ' ' LYS . 0.9 OUTLIER -85.15 23.58 0.83 Allowed 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 123.054 2.503 . . . . 0.0 111.813 175.246 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . -161.42 105.03 1.27 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.261 -177.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.373 -0.822 . . . . 0.0 109.419 173.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 15.9 m . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.557 0.217 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 1070 ' ' ARG . . . . . 0.735 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 14.3 ttm180 -140.82 116.53 10.28 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.006 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 45.1 ttt-85 -117.79 140.7 49.32 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 -177.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1072 ' ' VAL . . . . . 0.632 HG12 ' HA ' ' A' 1126 ' ' ILE . 18.4 m -133.99 154.8 38.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.772 0.32 . . . . 0.0 110.463 178.691 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1073 ' ' LYS . . . . . 0.575 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.4 OUTLIER -122.71 136.23 54.81 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 176.263 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1074 ' ' THR . . . . . 0.588 ' HA ' HG12 ' A' 1124 ' ' VAL . 48.6 p -74.82 124.26 26.51 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.799 -175.364 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1075 ' ' ILE . . . . . 0.598 HG13 ' CD2' ' A' 1076 ' ' TYR . 16.1 pt -102.23 -2.93 9.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-O 121.556 0.693 . . . . 0.0 110.114 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1076 ' ' TYR . . . . . 0.779 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 95.0 m-85 -139.8 173.74 11.22 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.927 178.353 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.61 131.13 54.13 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.662 175.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1078 ' ' CYS . . . . . 0.682 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 42.7 t -142.42 145.73 34.11 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.027 -176.657 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1079 ' ' GLN . . . . . 0.503 ' HA ' HG23 ' A' 1087 ' ' THR . 27.6 tt0 -129.01 149.44 50.83 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 121.328 0.585 . . . . 0.0 111.356 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1080 ' ' ALA . . . . . 0.489 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -60.2 131.18 50.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.781 -1.1 . . . . 0.0 112.485 -176.285 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 13.6 t70 -92.83 -24.75 18.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.009 176.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1082 ' ' ASN . . . . . 0.488 ' H ' ' HG3' ' A' 1085 ' ' GLU . 7.8 t-20 -145.67 -172.12 3.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.324 -172.161 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 20.0 t70 -61.61 -41.36 97.34 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -171.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 37.3 t70 -113.14 48.47 1.03 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.889 0.852 . . . . 0.0 110.624 -176.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1085 ' ' GLU . . . . . 0.59 ' HG2' HH21 ' B' 1589 ' ' ARG . 2.0 mm-40 -108.98 157.1 18.98 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.532 175.476 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1086 ' ' LEU . . . . . 0.564 HD23 ' HB3' ' A' 1119 ' ' PHE . 16.1 tp -105.29 129.27 53.68 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.762 0.315 . . . . 0.0 111.313 -177.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1087 ' ' THR . . . . . 0.503 HG23 ' HA ' ' A' 1079 ' ' GLN . 60.4 m -100.91 119.67 39.04 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 171.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1088 ' ' PHE . . . . . 0.555 ' CZ ' ' HD2' ' A' 1120 ' ' PRO . 19.4 p90 -143.06 140.45 30.94 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.271 -176.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1089 ' ' ILE . . . . . 0.492 HD12 ' HB2' ' A' 1092 ' ' GLU . 1.8 pp -104.16 158.32 5.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.0 -178.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1090 ' ' GLU . . . . . 0.472 ' HG3' ' HA ' ' B' 1579 ' ' ILE . 2.9 tm-20 -59.19 123.35 16.37 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 110.84 -1.71 28.79 Favored Glycine 0 N--CA 1.454 -0.154 0 C-N-CA 120.852 -0.689 . . . . 0.0 111.79 -177.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1092 ' ' GLU . . . . . 0.492 ' HB2' HD12 ' A' 1089 ' ' ILE . 5.4 tp10 -84.83 160.79 20.13 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.649 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 62.1 t -129.51 131.68 66.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1094 ' ' ILE . . . . . 0.481 HG21 ' CE1' ' A' 1119 ' ' PHE . 10.4 mt -122.78 133.26 69.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.06 0.457 . . . . 0.0 110.85 -176.056 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 44.9 mm -90.33 115.6 30.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 174.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1096 ' ' VAL . . . . . 0.735 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 46.9 t -75.61 111.66 12.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.15 0.5 . . . . 0.0 110.645 -177.279 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1097 ' ' THR . . . . . 0.545 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 64.3 p -98.08 -17.63 18.99 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.793 -178.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -169.06 -176.83 39.4 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.333 -0.937 . . . . 0.0 112.684 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -135.9 143.82 45.19 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1100 ' ' GLU . . . . . 0.491 ' HB2' HD11 ' A' 1106 ' ' ILE . 36.1 tt0 -122.54 -40.74 2.43 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.699 0.761 . . . . 0.0 109.285 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1101 ' ' ASP . . . . . 0.604 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 10.1 t70 -126.4 -167.17 1.68 Allowed 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.827 -1.079 . . . . 0.0 108.357 -179.393 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -86.98 -39.85 15.31 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 170.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1103 ' ' GLU . . . . . 0.435 ' O ' ' HA ' ' A' 1120 ' ' PRO . 22.6 tt0 -101.0 10.79 40.69 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 114.64 -1.163 . . . . 0.0 110.418 -177.446 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1104 ' ' TRP . . . . . 0.604 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 79.8 m95 -141.56 113.37 7.83 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.104 0.478 . . . . 0.0 111.474 -178.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 44.5 m0 -115.0 164.1 14.64 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.762 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1106 ' ' ILE . . . . . 0.599 HG12 HG22 ' A' 1118 ' ' VAL . 18.7 mt -115.98 143.35 26.19 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.645 -174.212 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1107 ' ' GLY . . . . . 0.545 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . 177.6 -158.14 23.17 Favored Glycine 0 N--CA 1.436 -1.361 0 C-N-CA 119.918 -1.134 . . . . 0.0 112.178 176.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1108 ' ' HIS . . . . . 0.4 ' HA ' ' HA ' ' A' 1116 ' ' LYS . 15.5 p80 -143.22 151.56 40.74 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 -179.132 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.461 HD12 ' HG3' ' A' 1092 ' ' GLU . 36.9 mm -62.22 130.7 26.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.279 179.004 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -52.57 -57.16 10.86 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -170.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -82.87 0.94 89.3 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.877 -0.678 . . . . 0.0 113.182 -176.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -143.93 86.0 8.78 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-O 121.08 0.467 . . . . 0.0 109.893 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -60.99 -29.05 87.23 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 123.352 2.701 . . . . 0.0 113.793 -171.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -78.57 -9.09 59.23 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.39 -177.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -87.66 89.43 7.99 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 171.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1116 ' ' LYS . . . . . 0.613 ' HD3' ' H ' ' A' 1116 ' ' LYS . 0.2 OUTLIER -125.29 165.17 18.81 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.53 -176.855 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 154.82 -167.22 32.63 Favored Glycine 0 N--CA 1.441 -1.01 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1118 ' ' VAL . . . . . 0.599 HG22 HG12 ' A' 1106 ' ' ILE . 15.5 t -104.29 122.18 56.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 120.964 0.411 . . . . 0.0 110.041 178.558 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1119 ' ' PHE . . . . . 0.564 ' HB3' HD23 ' A' 1086 ' ' LEU . 12.2 p90 -110.4 140.35 22.4 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.903 -178.199 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1120 ' ' PRO . . . . . 0.555 ' HD2' ' CZ ' ' A' 1088 ' ' PHE . 58.4 Cg_endo -73.42 123.17 8.48 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.741 2.294 . . . . 0.0 111.944 176.537 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1121 ' ' VAL . . . . . 0.559 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 57.4 t -62.48 -19.35 22.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.999 178.106 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.96 -22.82 67.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.886 177.726 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1123 ' ' PHE . . . . . 0.682 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.7 OUTLIER -111.48 2.02 17.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.88 0.371 . . . . 0.0 111.136 -176.274 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.588 HG12 ' HA ' ' A' 1074 ' ' THR . 17.0 m -129.53 165.5 29.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.035 0.445 . . . . 0.0 111.27 -178.114 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 64.4 t60 -126.12 130.55 51.27 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.929 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1126 ' ' ILE . . . . . 0.632 ' HA ' HG12 ' A' 1072 ' ' VAL . 2.0 mp -73.87 132.56 33.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.472 -176.695 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1127 ' ' LEU . . . . . 0.575 HD11 ' HB2' ' A' 1073 ' ' LYS . 71.1 mt -124.05 59.93 1.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.045 0.45 . . . . 0.0 110.976 -177.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 6.0 p -87.36 8.25 25.3 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 122.026 0.917 . . . . 0.0 109.473 173.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 35.2 t70 . . . . . 0 C--O 1.247 0.965 0 CA-C-N 114.224 -1.353 . . . . 0.0 109.853 -179.486 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 62.8 m . . . . . 0 N--CA 1.477 0.886 0 CA-C-O 120.513 0.197 . . . . 0.0 110.691 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B 1579 ' ' ILE . . . . . 0.472 ' HA ' ' HG3' ' A' 1090 ' ' GLU . 37.6 mt -68.14 122.95 20.39 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 C-N-CA 120.309 -0.556 . . . . 0.0 109.827 175.749 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1580 ' ' ILE . . . . . 0.47 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.7 mp -70.4 119.6 16.81 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 175.28 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 74.1 m 54.62 -161.28 0.15 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 171.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -85.41 155.68 21.17 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.339 168.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1583 ' ' MET . . . . . 0.448 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 2.9 ttm -60.7 135.61 92.45 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -175.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1584 ' ' PRO . . . . . 0.779 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 86.5 Cg_endo -80.17 -175.59 2.78 Favored 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 123.301 2.667 . . . . 0.0 110.413 173.776 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 9.5 m -110.09 134.85 51.75 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 -177.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1586 ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -65.97 101.47 0.68 Allowed 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 173.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 16.3 t -76.49 4.17 9.74 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.767 -169.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1588 ' ' SER . . . . . . . . . . . . . 21.8 m 67.12 155.5 0.1 Allowed 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.363 0.601 . . . . 0.0 110.445 -174.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1589 ' ' ARG . . . . . 0.612 ' HB2' ' HG3' ' B' 1592 ' ' LYS . 2.5 mtt180 -86.77 131.68 34.06 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 176.423 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1590 ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -76.94 -14.55 59.85 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 -175.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -86.81 -8.63 57.16 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 114.922 -1.035 . . . . 0.0 111.238 176.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1592 ' ' LYS . . . . . 0.612 ' HG3' ' HB2' ' B' 1589 ' ' ARG . 10.0 mtpm? -78.36 101.02 7.01 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.413 0.625 . . . . 0.0 109.982 177.092 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B 1593 ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -108.21 120.36 46.97 Favored Pre-proline 0 C--N 1.315 -0.914 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.339 -174.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1594 ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -70.04 82.87 0.78 Allowed 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.614 2.209 . . . . 0.0 112.128 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . 69.39 112.74 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.087 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 . . . . . 0 C--O 1.251 1.175 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.137 -179.059 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 46.7 t . . . . . 0 N--CA 1.478 0.954 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 1070 ' ' ARG . . . . . 0.529 ' HD3' ' CZ3' ' A' 1105 ' ' TRP . 33.2 ttm180 -94.23 119.82 33.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.472 0.653 . . . . 0.0 110.377 178.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1071 ' ' ARG . . . . . 0.455 ' HG3' HD13 ' A' 1095 ' ' ILE . 43.5 ttt180 -127.79 149.99 50.02 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.03 -0.987 . . . . 0.0 108.644 -175.471 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1072 ' ' VAL . . . . . 0.586 HG12 ' HA ' ' A' 1126 ' ' ILE . 29.9 m -137.04 151.51 27.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.137 0.494 . . . . 0.0 110.806 177.254 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1073 ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -116.36 137.8 51.86 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 177.134 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1074 ' ' THR . . . . . 0.561 ' HA ' HG12 ' A' 1124 ' ' VAL . 43.3 p -82.21 124.9 30.33 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.146 0.498 . . . . 0.0 110.572 -176.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1075 ' ' ILE . . . . . 0.662 HG13 ' CD2' ' A' 1076 ' ' TYR . 22.4 pt -106.55 0.68 10.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.588 -177.382 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1076 ' ' TYR . . . . . 0.766 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 90.1 m-85 -141.79 171.51 13.96 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.858 -1.064 . . . . 0.0 111.199 179.354 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1077 ' ' ASP . . . . . 0.402 ' HA ' ' HA ' ' A' 1089 ' ' ILE . 19.3 m-20 -103.79 105.1 15.21 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 115.485 -0.78 . . . . 0.0 108.924 177.589 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1078 ' ' CYS . . . . . 0.611 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 50.8 t -118.69 143.21 47.0 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-O 121.212 0.53 . . . . 0.0 110.598 -175.736 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1079 ' ' GLN . . . . . 0.543 ' HA ' HG23 ' A' 1087 ' ' THR . 50.7 tt0 -129.44 143.28 50.77 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.891 178.497 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1080 ' ' ALA . . . . . . . . . . . . . . . -55.86 127.06 28.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.993 -174.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1081 ' ' ASP . . . . . 0.55 ' HB2' ' HE2' ' B' 1586 ' ' LYS . 28.1 t70 -76.84 -49.03 16.71 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.364 177.52 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -109.69 -171.22 1.8 Allowed 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 172.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 20.9 t70 -74.27 -32.38 62.9 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.905 0.383 . . . . 0.0 111.371 -178.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 36.9 t70 -80.24 -13.77 58.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.689 -171.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -79.54 166.52 21.85 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.892 0.377 . . . . 0.0 110.862 177.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 17.6 tp -104.74 140.51 37.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.216 -178.174 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1087 ' ' THR . . . . . 0.543 HG23 ' HA ' ' A' 1079 ' ' GLN . 89.8 m -102.77 116.62 32.93 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 172.663 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1088 ' ' PHE . . . . . 0.66 ' CE1' ' HD2' ' A' 1120 ' ' PRO . 25.1 p90 -140.18 135.48 32.47 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.128 -176.607 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1089 ' ' ILE . . . . . 0.717 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -103.48 159.49 4.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.189 -175.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1090 ' ' GLU . . . . . 0.43 ' HG3' ' HA ' ' B' 1579 ' ' ILE . 3.0 tm-20 -59.4 126.45 27.7 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 -177.121 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 106.01 -0.21 38.57 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.879 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -89.68 161.92 15.86 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 60.8 t -128.84 131.59 68.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -178.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1094 ' ' ILE . . . . . 0.52 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 18.3 mt -118.79 136.11 57.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 121.073 0.463 . . . . 0.0 110.949 -177.277 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1095 ' ' ILE . . . . . 0.455 HD13 ' HG3' ' A' 1071 ' ' ARG . 48.0 mm -93.81 115.28 32.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 173.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 21.4 t -76.9 118.63 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.015 0.436 . . . . 0.0 110.48 -176.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 33.6 p -97.09 -22.04 17.01 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.839 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -170.33 -178.54 41.24 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.699 178.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 21.6 mp0 -133.64 139.5 46.53 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1100 ' ' GLU . . . . . 0.702 ' HB2' HD11 ' A' 1106 ' ' ILE . 36.7 tt0 -120.94 -44.05 2.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.559 0.695 . . . . 0.0 109.507 -178.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1101 ' ' ASP . . . . . 0.698 ' OD2' ' HG2' ' B' 1590 ' ' LYS . 8.9 t70 -113.85 -171.29 1.87 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.575 -1.193 . . . . 0.0 107.84 177.542 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1102 ' ' GLN . . . . . 0.572 ' HG3' ' HG3' ' A' 1103 ' ' GLU . 28.9 pt20 -91.99 -31.11 15.73 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 173.075 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1103 ' ' GLU . . . . . 0.572 ' HG3' ' HG3' ' A' 1102 ' ' GLN . 36.5 mt-10 -104.35 9.78 35.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.638 178.137 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1104 ' ' TRP . . . . . 0.655 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 83.6 m95 -141.78 111.19 6.45 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 121.53 0.681 . . . . 0.0 111.615 -177.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1105 ' ' TRP . . . . . 0.529 ' CZ3' ' HD3' ' A' 1070 ' ' ARG . 40.9 m0 -115.26 163.26 15.93 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.211 -179.548 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1106 ' ' ILE . . . . . 0.702 HD11 ' HB2' ' A' 1100 ' ' GLU . 3.4 mp -114.49 140.76 33.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 -175.375 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -177.89 -159.03 22.02 Favored Glycine 0 N--CA 1.433 -1.512 0 C-N-CA 119.735 -1.222 . . . . 0.0 111.856 175.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1108 ' ' HIS . . . . . 0.488 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 24.0 p80 -144.79 152.95 41.11 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1109 ' ' ILE . . . . . 0.407 ' CD1' HG12 ' A' 1094 ' ' ILE . 26.1 mm -61.4 140.06 19.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 179.417 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -60.22 -57.63 11.96 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.243 -176.083 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -73.23 -26.04 71.6 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 121.083 -0.579 . . . . 0.0 112.913 -179.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -120.2 84.36 33.96 Favored Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 178.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -66.47 -20.0 54.6 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.235 2.624 . . . . 0.0 113.201 -173.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -79.27 -14.55 58.96 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.941 0.4 . . . . 0.0 110.572 -178.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -93.85 93.65 8.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.096 0.475 . . . . 0.0 109.884 177.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1116 ' ' LYS . . . . . 0.488 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 0.0 OUTLIER -121.52 166.83 13.59 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.431 -177.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 158.8 -172.35 35.6 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.434 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1118 ' ' VAL . . . . . . . . . . . . . 17.8 t -101.93 116.27 45.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.233 0.539 . . . . 0.0 110.151 178.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1119 ' ' PHE . . . . . 0.438 ' CE1' HG21 ' A' 1094 ' ' ILE . 16.2 p90 -106.08 139.78 20.61 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.587 -176.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1120 ' ' PRO . . . . . 0.66 ' HD2' ' CE1' ' A' 1088 ' ' PHE . 41.4 Cg_endo -72.74 123.4 8.96 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 122.508 2.139 . . . . 0.0 112.699 176.603 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1121 ' ' VAL . . . . . 0.601 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 68.5 t -60.32 -19.99 19.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 114.812 -1.085 . . . . 0.0 110.568 176.308 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1122 ' ' SER . . . . . 0.536 ' HB2' ' HD1' ' A' 1123 ' ' PHE . 4.6 m -60.19 -27.3 67.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.766 178.172 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1123 ' ' PHE . . . . . 0.611 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.5 OUTLIER -110.6 3.48 19.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.793 0.33 . . . . 0.0 111.047 -173.613 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 1124 ' ' VAL . . . . . 0.601 ' CG2' ' HA ' ' A' 1121 ' ' VAL . 13.2 m -129.05 168.56 22.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.09 0.471 . . . . 0.0 111.62 -177.72 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 24.7 t60 -129.4 138.15 51.33 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.548 -0.751 . . . . 0.0 108.988 -178.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1126 ' ' ILE . . . . . 0.586 ' HA ' HG12 ' A' 1072 ' ' VAL . 1.8 mp -82.06 123.22 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.509 0.671 . . . . 0.0 111.722 -172.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 9.7 mp -112.64 88.71 2.89 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.984 0.897 . . . . 0.0 110.858 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 61.8 m -152.4 22.4 0.63 Allowed 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 114.387 -1.279 . . . . 0.0 108.368 177.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 19.9 t70 . . . . . 0 C--O 1.243 0.753 0 CA-C-N 114.237 -1.347 . . . . 0.0 109.409 -174.94 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 28.4 m . . . . . 0 N--CA 1.479 0.985 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B 1579 ' ' ILE . . . . . 0.43 ' HA ' ' HG3' ' A' 1090 ' ' GLU . 33.0 mt -64.68 127.53 25.64 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.371 0 CA-C-O 121.256 0.55 . . . . 0.0 110.324 178.352 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1580 ' ' ILE . . . . . 0.535 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.7 mp -80.74 108.39 14.05 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.639 175.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 39.1 m 61.02 -154.52 0.36 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.333 0.587 . . . . 0.0 112.067 171.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -88.98 161.37 16.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.344 171.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1583 ' ' MET . . . . . 0.598 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 4.5 ttm -68.36 138.95 91.81 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -173.428 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1584 ' ' PRO . . . . . 0.766 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 78.6 Cg_endo -84.8 -175.72 2.19 Favored 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 123.492 2.795 . . . . 0.0 111.326 175.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 27.3 m -111.9 132.27 54.84 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 -179.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1586 ' ' LYS . . . . . 0.55 ' HE2' ' HB2' ' A' 1081 ' ' ASP . 2.5 tmmt? -59.79 103.05 0.18 Allowed 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 175.515 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 15.6 t -74.26 4.14 6.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.785 -1.098 . . . . 0.0 113.723 -164.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1588 ' ' SER . . . . . . . . . . . . . 25.1 m 68.35 141.43 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.05 0.452 . . . . 0.0 111.617 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1589 ' ' ARG . . . . . 0.783 ' HB2' ' HG2' ' B' 1592 ' ' LYS . 2.7 mtm180 -85.31 133.76 34.14 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 173.731 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1590 ' ' LYS . . . . . 0.698 ' HG2' ' OD2' ' A' 1101 ' ' ASP . 27.2 mmtt -78.6 -13.15 59.97 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 -176.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -82.71 -8.76 59.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.327 177.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1592 ' ' LYS . . . . . 0.783 ' HG2' ' HB2' ' B' 1589 ' ' ARG . 20.2 ptmt -129.28 149.65 50.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.925 0.393 . . . . 0.0 110.267 178.445 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1593 ' ' LYS . . . . . 0.567 ' H ' ' HD3' ' B' 1593 ' ' LYS . 0.0 OUTLIER -95.39 136.85 22.24 Favored Pre-proline 0 C--N 1.319 -0.758 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.085 176.287 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B 1594 ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' B' 1593 ' ' LYS . 13.6 Cg_exo -68.7 76.91 0.76 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.206 2.604 . . . . 0.0 111.797 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . -128.06 166.84 17.66 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.765 -178.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 6.9 pt20 . . . . . 0 C--O 1.249 1.054 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.948 176.231 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 1070 ' ' ARG . . . . . 0.643 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 29.2 ttm180 . . . . . 0 N--CA 1.455 -0.219 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1071 ' ' ARG . . . . . 0.533 ' HB3' ' HB2' ' A' 1127 ' ' LEU . 37.9 ttt180 -127.83 142.53 51.26 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -174.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1072 ' ' VAL . . . . . 0.574 HG12 ' HA ' ' A' 1126 ' ' ILE . 29.3 m -136.46 144.66 32.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.028 0.442 . . . . 0.0 110.454 175.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1073 ' ' LYS . . . . . 0.672 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.1 OUTLIER -111.6 128.17 55.96 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 177.546 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1074 ' ' THR . . . . . 0.576 ' HA ' HG12 ' A' 1124 ' ' VAL . 42.4 p -70.85 118.29 13.44 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.479 0.657 . . . . 0.0 110.283 -177.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1075 ' ' ILE . . . . . 0.65 HG13 ' CD2' ' A' 1076 ' ' TYR . 14.8 pt -101.48 -4.19 9.31 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.375 -177.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1076 ' ' TYR . . . . . 0.778 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 97.5 m-85 -139.61 175.38 9.62 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.05 177.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1077 ' ' ASP . . . . . 0.52 ' HA ' ' HA ' ' A' 1089 ' ' ILE . 7.0 m-20 -108.92 109.38 20.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.51 177.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1078 ' ' CYS . . . . . 0.655 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 32.6 t -121.34 147.86 45.12 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.873 0.368 . . . . 0.0 110.522 -177.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1079 ' ' GLN . . . . . 0.657 ' HA ' HG23 ' A' 1087 ' ' THR . 19.4 tt0 -124.37 141.78 51.81 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.777 0.798 . . . . 0.0 111.75 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1080 ' ' ALA . . . . . 0.489 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -76.01 139.11 41.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.339 -1.301 . . . . 0.0 111.481 -177.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -84.27 -41.47 16.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.689 176.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 15.6 m120 -119.55 -174.96 2.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.664 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -70.48 -17.92 62.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.106 0.479 . . . . 0.0 110.743 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1084 ' ' ASP . . . . . 0.516 ' HB2' ' OE2' ' A' 1085 ' ' GLU . 10.1 m-20 -72.1 -36.71 69.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.081 -174.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . 0.516 ' OE2' ' HB2' ' A' 1084 ' ' ASP . 5.8 mp0 -86.5 159.62 19.24 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.608 -172.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . 0.444 HD12 ' CA ' ' A' 1116 ' ' LYS . 8.8 tt -108.81 116.36 31.84 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.275 -178.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . 0.657 HG23 ' HA ' ' A' 1079 ' ' GLN . 57.6 m -78.36 125.08 28.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.237 176.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1088 ' ' PHE . . . . . 0.739 ' HE2' ' HD2' ' A' 1120 ' ' PRO . 48.6 p90 -140.17 139.9 35.8 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.268 -178.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1089 ' ' ILE . . . . . 0.69 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -109.55 159.92 8.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 176.511 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -56.92 125.59 23.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 123.626 0.579 . . . . 0.0 110.407 -174.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 116.6 -13.74 15.19 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.277 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -76.44 154.21 34.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.119 0.485 . . . . 0.0 110.809 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1093 ' ' VAL . . . . . 0.544 HG22 ' HG2' ' A' 1073 ' ' LYS . 61.1 t -123.6 124.5 69.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 177.034 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1094 ' ' ILE . . . . . 0.749 HG12 HD13 ' A' 1109 ' ' ILE . 20.2 mt -115.56 132.89 63.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 120.958 0.409 . . . . 0.0 110.83 -174.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1095 ' ' ILE . . . . . 0.433 HD13 ' HG3' ' A' 1071 ' ' ARG . 48.0 mm -89.98 111.13 22.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 172.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1096 ' ' VAL . . . . . 0.643 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 48.9 t -74.47 113.74 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.671 -177.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 17.4 p -105.91 -8.34 17.71 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -177.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -164.61 -178.84 38.32 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.387 -0.911 . . . . 0.0 112.879 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -143.78 140.42 29.9 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1100 ' ' GLU . . . . . 0.58 ' HG2' HD11 ' A' 1106 ' ' ILE . 58.2 mm-40 -116.58 -52.47 2.56 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.603 0.716 . . . . 0.0 109.565 177.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1101 ' ' ASP . . . . . 0.728 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 19.6 t70 -122.26 174.74 6.79 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 114.523 -1.217 . . . . 0.0 108.265 178.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -66.2 -39.1 89.42 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-O 121.414 0.625 . . . . 0.0 109.505 175.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -105.89 12.17 30.98 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.41 -0.813 . . . . 0.0 111.169 -175.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1104 ' ' TRP . . . . . 0.728 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 71.9 m95 -141.55 107.39 5.13 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 47.1 m0 -111.58 171.13 7.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.723 0.297 . . . . 0.0 110.881 -176.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1106 ' ' ILE . . . . . 0.705 HG12 HG22 ' A' 1118 ' ' VAL . 55.4 mt -115.93 138.38 46.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.962 -178.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -173.47 -169.69 36.13 Favored Glycine 0 N--CA 1.441 -0.987 0 C-N-CA 119.924 -1.132 . . . . 0.0 112.593 176.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1108 ' ' HIS . . . . . 0.546 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 19.7 p-80 -142.55 148.73 38.06 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1109 ' ' ILE . . . . . 0.749 HD13 HG12 ' A' 1094 ' ' ILE . 41.2 mm -62.88 137.21 24.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.063 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -53.04 -62.5 1.62 Allowed 'General case' 0 C--N 1.322 -0.616 0 O-C-N 123.252 0.345 . . . . 0.0 111.666 -173.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -84.11 -0.01 89.5 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.49 -178.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -132.12 79.2 67.25 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-O 120.86 0.362 . . . . 0.0 110.303 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.91 -6.41 18.04 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 123.24 2.627 . . . . 0.0 112.79 -177.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -83.7 -21.62 32.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.148 0.499 . . . . 0.0 109.756 178.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -92.04 92.65 8.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.983 177.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1116 ' ' LYS . . . . . 0.546 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 0.0 OUTLIER -133.29 153.54 51.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.719 0.295 . . . . 0.0 110.732 178.356 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 160.42 -164.96 34.76 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1118 ' ' VAL . . . . . 0.705 HG22 HG12 ' A' 1106 ' ' ILE . 11.8 t -100.45 129.51 51.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.907 0.384 . . . . 0.0 110.624 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1119 ' ' PHE . . . . . 0.542 ' HB2' ' CE2' ' A' 1088 ' ' PHE . 27.3 p90 -127.38 147.35 61.83 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.323 -175.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1120 ' ' PRO . . . . . 0.739 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 57.7 Cg_endo -76.18 128.64 10.71 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.595 2.197 . . . . 0.0 112.62 179.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1121 ' ' VAL . . . . . 0.563 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 87.4 t -66.66 -18.23 23.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.513 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -25.29 68.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.875 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1123 ' ' PHE . . . . . 0.655 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.5 OUTLIER -109.35 2.49 20.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.0 0.428 . . . . 0.0 110.97 -174.566 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.576 HG12 ' HA ' ' A' 1074 ' ' THR . 10.6 m -126.85 164.41 27.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.973 0.415 . . . . 0.0 111.097 -179.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1125 ' ' HIS . . . . . 0.4 ' HB2' HD13 ' A' 1075 ' ' ILE . 62.1 t60 -123.11 128.47 50.14 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.937 -178.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1126 ' ' ILE . . . . . 0.574 ' HA ' HG12 ' A' 1072 ' ' VAL . 1.8 mp -70.07 123.97 25.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.4 -177.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1127 ' ' LEU . . . . . 0.672 HD11 ' HB2' ' A' 1073 ' ' LYS . 66.5 mt -98.41 54.29 1.07 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.447 -177.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 14.8 t -118.13 20.01 13.36 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 172.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 20.6 t70 . . . . . 0 C--O 1.25 1.101 0 CA-C-N 114.519 -1.219 . . . . 0.0 109.973 -175.899 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 39.5 m . . . . . 0 N--CA 1.476 0.842 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 16.9 mt -68.44 130.37 33.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.106 0.479 . . . . 0.0 110.242 176.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1580 ' ' ILE . . . . . 0.489 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.6 mp -81.92 131.54 33.58 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.479 175.163 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 6.3 t 46.59 -142.67 0.36 Allowed 'General case' 0 C--O 1.239 0.511 0 O-C-N 123.782 0.676 . . . . 0.0 112.103 174.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -106.78 152.14 24.24 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.064 -0.971 . . . . 0.0 108.764 169.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1583 ' ' MET . . . . . 0.444 ' HA ' ' CE1' ' A' 1076 ' ' TYR . 3.1 ttm -54.17 132.41 60.26 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -175.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1584 ' ' PRO . . . . . 0.778 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 88.9 Cg_endo -83.21 -176.12 2.68 Favored 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 123.189 2.593 . . . . 0.0 111.055 177.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 6.0 m -109.13 132.56 54.0 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.03 -176.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1586 ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -59.97 107.96 0.7 Allowed 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 172.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 9.2 p -67.6 -4.81 12.9 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.814 -171.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1588 ' ' SER . . . . . . . . . . . . . 68.2 m 66.8 116.88 0.03 OUTLIER 'General case' 0 CA--C 1.52 -0.206 0 O-C-N 123.848 0.718 . . . . 0.0 110.038 -173.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B 1589 ' ' ARG . . . . . 0.426 ' HD3' ' CE3' ' A' 1104 ' ' TRP . 39.4 ttp85 -66.87 104.59 1.38 Allowed 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.164 -174.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B 1590 ' ' LYS . . . . . 0.872 ' HD2' ' H ' ' B' 1590 ' ' LYS . 0.0 OUTLIER -59.49 -31.69 69.58 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.74 -176.867 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.548 178.986 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 1070 ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' 1070 ' ' ARG . 14.2 ttm180 . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1071 ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' 1071 ' ' ARG . 32.4 ttt180 -113.87 136.07 53.28 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.998 -172.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1072 ' ' VAL . . . . . 0.614 HG12 ' HA ' ' A' 1126 ' ' ILE . 33.1 m -127.52 152.36 35.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.056 0.455 . . . . 0.0 110.672 178.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1073 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.58 132.98 55.42 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.542 -0.911 . . . . 0.0 108.542 179.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1074 ' ' THR . . . . . 0.542 ' HA ' HG12 ' A' 1124 ' ' VAL . 61.8 p -76.08 124.89 28.13 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.174 0.512 . . . . 0.0 110.629 -176.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1075 ' ' ILE . . . . . 0.575 HG13 ' CD2' ' A' 1076 ' ' TYR . 17.4 pt -104.04 -3.49 9.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.363 0.601 . . . . 0.0 110.468 -177.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1076 ' ' TYR . . . . . 0.859 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 90.3 m-85 -139.21 172.82 12.27 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.936 178.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1077 ' ' ASP . . . . . 0.406 ' OD1' ' HB ' ' A' 1089 ' ' ILE . 23.2 m-20 -104.24 110.48 22.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.327 -0.852 . . . . 0.0 109.435 176.101 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1078 ' ' CYS . . . . . 0.548 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 25.1 t -122.02 152.06 40.16 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.888 0.375 . . . . 0.0 110.634 -176.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1079 ' ' GLN . . . . . 0.563 ' HA ' HG23 ' A' 1087 ' ' THR . 42.0 tt0 -134.6 144.52 47.95 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.008 178.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1080 ' ' ALA . . . . . . . . . . . . . . . -60.61 132.96 55.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.725 -1.125 . . . . 0.0 112.373 -175.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 18.9 t70 -79.17 -46.52 17.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.615 176.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -112.51 -170.28 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.175 -0.921 . . . . 0.0 108.822 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 17.0 t70 -74.45 -26.06 59.82 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.123 0.487 . . . . 0.0 110.73 177.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 32.1 t70 -82.3 -22.33 35.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.992 -172.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -76.43 160.54 29.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.981 0.419 . . . . 0.0 110.866 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . 0.49 ' HB3' ' HB3' ' A' 1119 ' ' PHE . 17.0 tp -98.14 142.44 29.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.13 -179.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . 0.563 HG23 ' HA ' ' A' 1079 ' ' GLN . 91.1 m -107.49 119.07 38.39 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 172.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1088 ' ' PHE . . . . . 0.582 ' CE1' ' HD2' ' A' 1120 ' ' PRO . 21.6 p90 -141.31 137.59 32.54 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.503 -175.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1089 ' ' ILE . . . . . 0.701 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -106.65 157.97 6.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.416 -176.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1090 ' ' GLU . . . . . 0.657 ' HG3' HG12 ' B' 1579 ' ' ILE . 2.1 tm-20 -57.48 128.02 34.96 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 123.357 0.411 . . . . 0.0 110.241 -176.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 104.6 -1.46 42.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.771 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -89.92 161.23 16.02 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 64.4 t -126.8 128.54 71.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.945 -177.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1094 ' ' ILE . . . . . 0.537 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 19.2 mt -116.87 132.02 67.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.986 0.422 . . . . 0.0 110.486 -176.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 49.7 mm -90.53 114.68 28.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 172.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 39.2 t -75.68 116.93 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.864 0.364 . . . . 0.0 110.419 -176.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1097 ' ' THR . . . . . 0.466 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 21.0 p -103.45 -19.34 14.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.975 -179.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -162.85 -171.62 29.29 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.62 -179.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1099 ' ' GLU . . . . . 0.428 ' HA ' ' HA ' ' A' 1105 ' ' TRP . 2.3 tm-20 -156.51 135.77 12.12 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -177.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -120.83 -33.18 3.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.367 0.603 . . . . 0.0 109.949 -177.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1101 ' ' ASP . . . . . 0.822 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 10.1 t70 -127.74 168.57 14.91 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 177.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -64.24 -39.22 93.52 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 121.512 0.672 . . . . 0.0 109.455 176.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -113.24 18.95 17.5 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.757 -174.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1104 ' ' TRP . . . . . 0.822 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 59.8 m95 -142.24 109.15 5.45 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.785 177.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1105 ' ' TRP . . . . . 0.428 ' HA ' ' HA ' ' A' 1099 ' ' GLU . 45.8 m0 -112.01 165.94 11.67 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.011 0.434 . . . . 0.0 110.997 -175.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1106 ' ' ILE . . . . . 0.637 HG12 HG22 ' A' 1118 ' ' VAL . 55.4 mt -115.86 135.4 56.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.706 -176.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1107 ' ' GLY . . . . . 0.466 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -177.17 -164.51 30.99 Favored Glycine 0 N--CA 1.439 -1.117 0 C-N-CA 120.118 -1.039 . . . . 0.0 112.176 178.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1108 ' ' HIS . . . . . 0.492 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 14.1 p-80 -142.94 151.44 40.94 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 -178.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1109 ' ' ILE . . . . . 0.836 ' HB ' ' HB2' ' A' 1112 ' ' GLN . 30.0 mm -65.12 135.43 28.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.245 0.545 . . . . 0.0 109.578 178.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -61.27 -38.5 86.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.939 -1.028 . . . . 0.0 112.047 -174.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -98.4 -0.12 58.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.938 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1112 ' ' GLN . . . . . 0.836 ' HB2' ' HB ' ' A' 1109 ' ' ILE . 35.0 mt-30 -134.74 73.44 67.1 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -178.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -60.97 -32.04 92.02 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 123.056 2.504 . . . . 0.0 113.3 -170.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -80.47 -8.01 59.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.131 0.491 . . . . 0.0 110.687 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1115 ' ' ARG . . . . . 0.45 ' HD2' ' OE1' ' A' 1112 ' ' GLN . 89.6 mtt180 -94.73 90.02 5.93 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 174.262 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1116 ' ' LYS . . . . . 0.492 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 0.0 OUTLIER -126.33 156.3 40.66 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.861 179.195 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 167.56 -167.01 39.7 Favored Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1118 ' ' VAL . . . . . 0.637 HG22 HG12 ' A' 1106 ' ' ILE . 11.7 t -100.98 117.69 46.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.135 0.493 . . . . 0.0 110.454 179.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1119 ' ' PHE . . . . . 0.49 ' HB3' ' HB3' ' A' 1086 ' ' LEU . 22.2 p90 -110.34 142.0 25.1 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.403 -177.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1120 ' ' PRO . . . . . 0.582 ' HD2' ' CE1' ' A' 1088 ' ' PHE . 55.5 Cg_endo -74.03 129.32 13.13 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.566 2.177 . . . . 0.0 112.213 176.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1121 ' ' VAL . . . . . 0.56 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 61.1 t -66.42 -14.73 18.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.681 0.753 . . . . 0.0 109.84 177.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1122 ' ' SER . . . . . 0.596 ' OG ' ' HB2' ' B' 1587 ' ' SER . 1.1 m -61.22 -27.43 68.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.986 178.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1123 ' ' PHE . . . . . 0.561 ' HD1' ' HB2' ' A' 1122 ' ' SER . 0.9 OUTLIER -111.4 3.02 17.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.101 0.477 . . . . 0.0 110.931 -174.464 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.56 ' CG2' ' HA ' ' A' 1121 ' ' VAL . 17.5 m -129.09 171.97 16.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.08 0.467 . . . . 0.0 111.092 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 19.8 t60 -136.0 138.84 42.65 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1126 ' ' ILE . . . . . 0.614 ' HA ' HG12 ' A' 1072 ' ' VAL . 2.6 mp -84.26 127.65 39.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.047 0.451 . . . . 0.0 111.144 -175.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 9.8 mp -102.1 100.19 10.4 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.641 0.734 . . . . 0.0 110.214 177.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 12.8 p -109.87 32.1 5.34 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.289 176.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 29.7 t70 . . . . . 0 C--O 1.246 0.921 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.224 -174.879 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 75.5 m . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B 1579 ' ' ILE . . . . . 0.657 HG12 ' HG3' ' A' 1090 ' ' GLU . 12.4 mt -78.47 127.4 38.78 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.394 0 CA-C-O 121.057 0.456 . . . . 0.0 110.085 176.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1580 ' ' ILE . . . . . 0.4 ' O ' ' CE1' ' A' 1076 ' ' TYR . 1.7 mp -84.75 120.06 34.67 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.247 175.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 10.8 t 56.61 -154.75 0.33 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.476 0.655 . . . . 0.0 111.97 169.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -96.28 161.4 13.96 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 170.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1583 ' ' MET . . . . . 0.483 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 1.0 OUTLIER -55.47 134.73 70.51 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -174.655 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B 1584 ' ' PRO . . . . . 0.859 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 64.7 Cg_endo -85.04 -176.03 2.25 Favored 'Trans proline' 0 N--CA 1.451 -1.016 0 C-N-CA 123.099 2.532 . . . . 0.0 110.935 177.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 10.9 m -104.76 136.46 44.23 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -178.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1586 ' ' LYS . . . . . 0.411 ' HB2' ' HE3' ' B' 1586 ' ' LYS . 20.7 ttmt -50.64 115.24 1.39 Allowed 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 172.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1587 ' ' SER . . . . . 0.596 ' HB2' ' OG ' ' A' 1122 ' ' SER . 24.2 t -58.93 -16.16 16.41 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 123.713 0.633 . . . . 0.0 112.365 -171.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1588 ' ' SER . . . . . . . . . . . . . 66.8 m 62.7 95.88 0.04 OUTLIER 'General case' 0 C--O 1.232 0.134 0 CA-C-O 121.311 0.577 . . . . 0.0 110.029 -175.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B 1589 ' ' ARG . . . . . 0.409 HH11 ' HD3' ' B' 1589 ' ' ARG . 11.5 ttp180 -57.9 124.94 20.95 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.372 -174.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B 1590 ' ' LYS . . . . . 0.683 ' HD2' ' H ' ' B' 1590 ' ' LYS . 0.0 OUTLIER -74.8 -6.55 49.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.684 0.754 . . . . 0.0 109.421 -177.462 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.389 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.515 170.792 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 1070 ' ' ARG . . . . . 0.541 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 38.7 ttm180 . . . . . 0 N--CA 1.455 -0.184 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1071 ' ' ARG . . . . . 0.443 HH11 ' HD2' ' A' 1071 ' ' ARG . 41.9 ttm105 -137.53 130.34 30.15 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.864 0.364 . . . . 0.0 111.055 -178.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1072 ' ' VAL . . . . . 0.564 HG12 ' HA ' ' A' 1126 ' ' ILE . 33.4 m -118.4 152.99 20.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.272 176.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1073 ' ' LYS . . . . . 0.425 ' HB2' HD22 ' A' 1127 ' ' LEU . 0.1 OUTLIER -118.33 133.07 56.2 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.054 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1074 ' ' THR . . . . . 0.567 ' HA ' HG12 ' A' 1124 ' ' VAL . 66.0 p -76.32 125.47 29.24 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 -175.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1075 ' ' ILE . . . . . 0.475 ' O ' ' HA ' ' B' 1579 ' ' ILE . 15.4 pt -100.73 -1.26 9.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.772 0.796 . . . . 0.0 109.582 179.272 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1076 ' ' TYR . . . . . 0.757 ' CE1' ' HA ' ' B' 1583 ' ' MET . 26.1 m-85 -144.97 175.72 10.01 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.02 -1.446 . . . . 0.0 110.262 -179.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1077 ' ' ASP . . . . . 0.476 ' HB2' HG22 ' A' 1089 ' ' ILE . 2.0 p-10 -118.48 125.72 50.5 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 175.078 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1078 ' ' CYS . . . . . 0.666 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 49.0 t -133.39 145.31 50.21 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.379 -175.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1079 ' ' GLN . . . . . 0.626 ' HA ' HG23 ' A' 1087 ' ' THR . 44.4 tt0 -122.48 144.93 48.76 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.192 -177.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1080 ' ' ALA . . . . . 0.428 ' HA ' ' HB3' ' A' 1085 ' ' GLU . . . -45.29 128.41 7.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.397 -1.274 . . . . 0.0 113.21 -173.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 29.5 t70 -74.93 -50.99 14.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.269 -1.332 . . . . 0.0 109.136 174.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1082 ' ' ASN . . . . . 0.443 ' HA ' HD22 ' A' 1082 ' ' ASN . 7.7 m120 -129.89 -168.24 1.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.602 171.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 38.7 t70 -62.24 -33.19 74.11 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -177.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 16.0 t70 -83.8 -11.07 57.58 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 120.935 0.397 . . . . 0.0 111.966 -173.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . 0.428 ' HB3' ' HA ' ' A' 1080 ' ' ALA . 10.4 mp0 -79.35 152.76 30.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.226 0.536 . . . . 0.0 111.311 178.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . 0.444 HD12 ' C ' ' A' 1116 ' ' LYS . 6.8 tt -107.57 124.08 49.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.951 -178.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . 0.626 HG23 ' HA ' ' A' 1079 ' ' GLN . 60.3 m -85.05 128.52 34.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.763 176.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1088 ' ' PHE . . . . . 0.619 ' HE2' ' HD2' ' A' 1120 ' ' PRO . 13.6 p90 -137.99 158.31 44.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.119 178.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1089 ' ' ILE . . . . . 0.517 HD12 ' HB2' ' A' 1092 ' ' GLU . 1.7 pp -123.0 153.68 28.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.388 178.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1090 ' ' GLU . . . . . 0.67 ' HG3' HG12 ' B' 1579 ' ' ILE . 2.4 tm-20 -56.12 123.87 15.93 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 123.257 0.348 . . . . 0.0 110.197 -177.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 107.18 -1.51 35.19 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.882 -178.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1092 ' ' GLU . . . . . 0.517 ' HB2' HD12 ' A' 1089 ' ' ILE . 3.2 tp10 -84.92 160.1 20.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.024 0.44 . . . . 0.0 110.063 178.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 98.4 t -126.04 118.16 50.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.146 -176.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1094 ' ' ILE . . . . . 0.572 HG12 HD13 ' A' 1109 ' ' ILE . 17.4 mt -112.06 128.15 68.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.181 0.515 . . . . 0.0 110.93 -175.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1095 ' ' ILE . . . . . 0.4 HD11 ' OE2' ' A' 1110 ' ' GLU . 43.4 mm -87.93 115.04 27.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 172.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1096 ' ' VAL . . . . . 0.541 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 17.8 t -82.32 128.96 38.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 -175.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 14.2 p -106.16 -20.33 13.44 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.297 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -172.77 -171.4 37.51 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.494 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -135.13 157.24 47.42 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 179.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1100 ' ' GLU . . . . . 0.462 ' CD ' HH21 ' B' 1589 ' ' ARG . 31.5 tt0 -131.1 -36.6 1.31 Allowed 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.737 0.78 . . . . 0.0 109.035 173.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1101 ' ' ASP . . . . . 0.656 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 29.3 t70 -128.71 171.17 12.46 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 173.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -69.57 -30.87 68.75 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 121.676 0.751 . . . . 0.0 109.457 175.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -110.32 5.08 21.35 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.96 -174.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1104 ' ' TRP . . . . . 0.656 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 78.3 m95 -137.29 106.09 5.91 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.478 177.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1105 ' ' TRP . . . . . 0.44 ' CZ3' ' HD3' ' A' 1070 ' ' ARG . 44.6 m0 -106.67 166.62 10.44 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.04 -177.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1106 ' ' ILE . . . . . 0.795 HG12 HG22 ' A' 1118 ' ' VAL . 36.6 mt -116.77 135.26 57.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.171 -175.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -177.88 -165.12 32.31 Favored Glycine 0 N--CA 1.442 -0.959 0 C-N-CA 119.913 -1.137 . . . . 0.0 112.867 177.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1108 ' ' HIS . . . . . 0.548 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 10.8 p-80 -145.52 148.55 33.34 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -178.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1109 ' ' ILE . . . . . 0.616 ' HB ' ' HB2' ' A' 1112 ' ' GLN . 36.3 mm -63.5 134.8 28.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.135 -179.117 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . 0.4 ' OE2' HD11 ' A' 1095 ' ' ILE . 37.3 tt0 -56.82 -57.01 14.35 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 -171.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -82.81 -9.69 84.16 Favored Glycine 0 CA--C 1.517 0.214 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.61 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1112 ' ' GLN . . . . . 0.616 ' HB2' ' HB ' ' A' 1109 ' ' ILE . 18.9 mp0 -121.1 74.86 29.08 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -63.85 -26.27 67.42 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 123.101 2.534 . . . . 0.0 113.603 -169.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -83.1 -6.59 59.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.811 0.339 . . . . 0.0 111.261 -177.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 74.0 mtt-85 -94.5 91.71 6.75 Favored 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 174.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1116 ' ' LYS . . . . . 0.548 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 0.2 OUTLIER -131.3 161.56 32.05 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.698 -178.618 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 156.85 -160.83 30.63 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -177.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1118 ' ' VAL . . . . . 0.795 HG22 HG12 ' A' 1106 ' ' ILE . 39.8 t -106.61 133.12 52.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.896 0.379 . . . . 0.0 110.401 178.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1119 ' ' PHE . . . . . 0.585 ' HB2' ' HE2' ' A' 1088 ' ' PHE . 26.7 p90 -128.84 149.42 72.24 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.392 -175.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1120 ' ' PRO . . . . . 0.619 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 85.1 Cg_endo -80.61 127.93 6.64 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.692 2.261 . . . . 0.0 112.97 -178.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1121 ' ' VAL . . . . . 0.592 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 59.8 t -65.93 -15.87 19.61 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.25 177.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1122 ' ' SER . . . . . 0.587 ' HB2' ' HD1' ' A' 1123 ' ' PHE . 1.1 m -60.85 -31.32 70.77 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.021 179.235 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1123 ' ' PHE . . . . . 0.666 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.4 OUTLIER -108.4 4.6 24.56 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 121.057 0.456 . . . . 0.0 110.402 -174.407 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.592 ' CG2' ' HA ' ' A' 1121 ' ' VAL . 27.1 m -130.57 174.46 12.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.038 0.447 . . . . 0.0 111.684 -177.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -137.7 142.97 41.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.374 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1126 ' ' ILE . . . . . 0.564 ' HA ' HG12 ' A' 1072 ' ' VAL . 1.9 mp -83.32 123.5 38.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.708 -177.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1127 ' ' LEU . . . . . 0.425 HD22 ' HB2' ' A' 1073 ' ' LYS . 11.1 mp -109.73 -72.56 0.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.044 178.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 46.0 m 50.45 41.74 25.41 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.756 -175.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 C--O 1.248 1.004 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.045 -179.734 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 76.0 m . . . . . 0 N--CA 1.476 0.872 0 CA-C-O 120.911 0.386 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B 1579 ' ' ILE . . . . . 0.67 HG12 ' HG3' ' A' 1090 ' ' GLU . 59.5 mt -78.34 132.41 32.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.569 178.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1580 ' ' ILE . . . . . 0.528 ' O ' HG22 ' B' 1580 ' ' ILE . 1.6 mp -89.67 102.19 12.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.046 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 16.4 m 75.41 -148.54 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.59 0.756 . . . . 0.0 111.401 -176.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -117.81 151.73 36.75 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 177.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1583 ' ' MET . . . . . 0.757 ' HA ' ' CE1' ' A' 1076 ' ' TYR . 29.0 ttm -41.13 126.41 2.09 Favored Pre-proline 0 N--CA 1.472 0.663 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -165.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1584 ' ' PRO . . . . . 0.666 ' HD3' ' CZ ' ' A' 1076 ' ' TYR . 73.0 Cg_endo -80.46 -175.81 2.88 Favored 'Trans proline' 0 N--CA 1.445 -1.375 0 C-N-CA 123.174 2.582 . . . . 0.0 110.309 177.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 34.4 m -109.77 138.04 46.71 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -176.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1586 ' ' LYS . . . . . 0.414 ' C ' ' H ' ' B' 1588 ' ' SER . 22.8 ttmt -59.59 102.38 0.14 Allowed 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 174.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 23.4 t -70.04 5.7 1.52 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.948 -170.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B 1588 ' ' SER . . . . . 0.414 ' H ' ' C ' ' B' 1586 ' ' LYS . 22.6 t 67.83 140.63 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 122.069 0.938 . . . . 0.0 110.591 -177.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1589 ' ' ARG . . . . . 0.462 HH21 ' CD ' ' A' 1100 ' ' GLU . 44.7 ttt180 -87.53 107.12 18.43 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 115.161 -0.927 . . . . 0.0 108.766 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1590 ' ' LYS . . . . . 0.506 ' HD2' ' H ' ' B' 1590 ' ' LYS . 5.9 mptt -69.88 -9.65 55.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.239 -168.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.586 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.192 177.913 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 1070 ' ' ARG . . . . . 0.459 ' HD3' ' CZ3' ' A' 1105 ' ' TRP . 42.8 ttm180 . . . . . 0 N--CA 1.454 -0.264 0 CA-C-O 120.901 0.381 . . . . 0.0 110.225 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -137.26 144.74 42.88 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.596 -177.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1072 ' ' VAL . . . . . 0.562 HG12 ' HA ' ' A' 1126 ' ' ILE . 28.9 m -128.1 155.0 39.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.173 175.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1073 ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' 1074 ' ' THR . 0.6 OUTLIER -118.59 132.53 56.2 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 175.743 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1074 ' ' THR . . . . . 0.597 ' HA ' HG12 ' A' 1124 ' ' VAL . 65.4 p -71.93 118.52 14.88 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.165 0.507 . . . . 0.0 110.504 -177.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1075 ' ' ILE . . . . . 0.546 HG13 ' CD2' ' A' 1076 ' ' TYR . 19.6 pt -97.49 -9.14 9.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.145 -177.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1076 ' ' TYR . . . . . 0.803 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 96.8 m-85 -138.49 175.79 9.26 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.825 177.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1077 ' ' ASP . . . . . 0.507 ' HA ' ' HA ' ' A' 1089 ' ' ILE . 8.0 m-20 -103.75 119.44 38.91 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.922 -1.035 . . . . 0.0 108.564 173.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1078 ' ' CYS . . . . . 0.671 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 52.1 t -129.07 137.15 51.1 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.832 0.349 . . . . 0.0 110.671 -178.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1079 ' ' GLN . . . . . 0.608 ' HA ' HG23 ' A' 1087 ' ' THR . 50.7 tt0 -117.88 142.87 46.85 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.568 0.699 . . . . 0.0 111.101 176.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1080 ' ' ALA . . . . . 0.774 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -88.97 166.76 13.7 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.366 -1.288 . . . . 0.0 111.846 -174.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -104.73 -33.26 8.52 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.195 173.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -111.22 146.04 37.65 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.279 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 35.7 t70 -63.14 -19.18 64.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.192 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 19.0 t70 -74.07 -23.73 59.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.255 0.55 . . . . 0.0 110.532 177.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . 0.774 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 41.6 mt-10 -90.11 156.64 18.22 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.044 -177.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . 0.559 ' HB3' ' HB3' ' A' 1119 ' ' PHE . 11.7 tp -97.3 122.07 39.92 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.82 0.343 . . . . 0.0 111.836 -172.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . 0.608 HG23 ' HA ' ' A' 1079 ' ' GLN . 98.5 m -94.66 119.46 33.33 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 171.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1088 ' ' PHE . . . . . 0.676 ' HE2' ' HD2' ' A' 1120 ' ' PRO . 17.0 p90 -136.69 158.89 43.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.82 -175.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1089 ' ' ILE . . . . . 0.664 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -122.97 157.32 28.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 176.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -55.71 123.69 14.97 Favored 'General case' 0 C--O 1.237 0.413 0 O-C-N 123.457 0.473 . . . . 0.0 110.324 -176.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 116.65 -6.3 18.37 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.457 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1092 ' ' GLU . . . . . 0.419 ' HG2' HD13 ' A' 1089 ' ' ILE . 18.9 mm-40 -84.21 154.32 23.11 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.297 0.57 . . . . 0.0 111.295 177.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 97.5 t -121.46 116.92 51.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.849 -177.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1094 ' ' ILE . . . . . 0.591 HG12 HD13 ' A' 1109 ' ' ILE . 9.6 mt -111.04 128.83 67.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.902 0.382 . . . . 0.0 110.822 -174.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 42.5 mm -88.2 120.35 37.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 172.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 43.4 t -80.66 116.8 25.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 120.971 0.415 . . . . 0.0 110.389 -176.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1097 ' ' THR . . . . . 0.503 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 21.5 p -103.33 -17.06 15.45 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.01 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -163.51 -171.82 30.22 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.785 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -157.29 137.53 12.75 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 -176.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1100 ' ' GLU . . . . . 0.402 ' CD ' HH21 ' B' 1589 ' ' ARG . 34.9 tt0 -125.81 -36.48 2.39 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.595 0.712 . . . . 0.0 109.627 -177.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1101 ' ' ASP . . . . . 0.715 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 20.7 t70 -123.88 168.32 12.93 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 173.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -71.01 -27.96 64.06 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 122.038 0.923 . . . . 0.0 108.635 177.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -113.83 9.25 17.57 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 113.882 -1.508 . . . . 0.0 110.969 -175.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1104 ' ' TRP . . . . . 0.715 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 71.3 m95 -140.12 106.64 5.32 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-O 121.289 0.566 . . . . 0.0 110.366 176.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1105 ' ' TRP . . . . . 0.459 ' CZ3' ' HD3' ' A' 1070 ' ' ARG . 45.8 m0 -108.16 164.64 12.13 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.906 -176.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1106 ' ' ILE . . . . . 0.636 HG12 HG22 ' A' 1118 ' ' VAL . 46.2 mt -116.27 137.65 49.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.052 -177.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1107 ' ' GLY . . . . . 0.503 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -177.06 -159.62 22.63 Favored Glycine 0 N--CA 1.435 -1.381 0 C-N-CA 120.287 -0.958 . . . . 0.0 112.157 177.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -148.08 150.71 34.38 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1109 ' ' ILE . . . . . 0.96 ' HB ' ' HB2' ' A' 1112 ' ' GLN . 32.5 mm -65.8 132.95 31.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -55.02 -51.19 67.06 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -169.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -90.37 2.06 80.36 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.415 -179.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1112 ' ' GLN . . . . . 0.96 ' HB2' ' HB ' ' A' 1109 ' ' ILE . 40.7 mt-30 -126.45 72.33 72.78 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -64.94 -26.84 58.68 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.841 2.36 . . . . 0.0 113.303 -169.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -79.05 -15.68 57.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.779 0.323 . . . . 0.0 110.995 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1115 ' ' ARG . . . . . 0.554 ' HD2' ' OE1' ' A' 1112 ' ' GLN . 99.5 mtt180 -93.69 89.66 6.29 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 177.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1116 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.52 170.25 9.86 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.491 176.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 154.73 -171.82 33.12 Favored Glycine 0 N--CA 1.441 -1.003 0 C-N-CA 120.646 -0.788 . . . . 0.0 111.948 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1118 ' ' VAL . . . . . 0.636 HG22 HG12 ' A' 1106 ' ' ILE . 12.9 t -100.9 117.27 45.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.063 0.459 . . . . 0.0 110.367 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1119 ' ' PHE . . . . . 0.559 ' HB3' ' HB3' ' A' 1086 ' ' LEU . 19.6 p90 -109.88 143.41 27.86 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.51 -176.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1120 ' ' PRO . . . . . 0.676 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 71.3 Cg_endo -77.57 127.14 8.69 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 122.603 2.202 . . . . 0.0 112.455 178.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1121 ' ' VAL . . . . . 0.597 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 61.6 t -66.12 -15.97 19.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.175 178.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1122 ' ' SER . . . . . 0.501 ' HB2' ' HD1' ' A' 1123 ' ' PHE . 3.0 m -61.8 -25.99 67.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.677 178.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1123 ' ' PHE . . . . . 0.671 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.8 OUTLIER -115.11 4.56 14.66 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.066 0.46 . . . . 0.0 110.869 -175.216 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.597 ' CG2' ' HA ' ' A' 1121 ' ' VAL . 20.5 m -131.2 160.72 42.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.764 -178.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 19.4 t60 -128.48 136.96 51.53 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1126 ' ' ILE . . . . . 0.562 ' HA ' HG12 ' A' 1072 ' ' VAL . 2.1 mp -75.2 124.47 33.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.021 -175.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 2.8 mp -89.22 -26.2 21.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.786 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 12.3 m -72.84 74.49 1.14 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.251 176.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 29.8 t70 . . . . . 0 C--O 1.247 0.923 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.892 -175.23 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 39.9 m . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 21.6 mt -68.34 126.38 28.08 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.405 0 CA-C-O 120.946 0.403 . . . . 0.0 110.14 176.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1580 ' ' ILE . . . . . 0.42 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.7 mp -78.23 114.03 18.28 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 174.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 75.7 m 55.62 -152.82 0.35 Allowed 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 170.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -91.3 158.32 16.63 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.848 173.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1583 ' ' MET . . . . . 0.627 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 2.1 ttm -59.84 137.83 90.36 Favored Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -174.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1584 ' ' PRO . . . . . 0.803 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 53.6 Cg_endo -88.69 -175.61 1.28 Allowed 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 123.592 2.861 . . . . 0.0 111.071 177.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 19.8 m -115.56 137.54 51.97 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -177.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1586 ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -55.05 103.53 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 172.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 24.4 t -77.75 24.9 0.21 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.931 -169.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1588 ' ' SER . . . . . . . . . . . . . 44.2 m 63.27 125.88 0.01 OUTLIER 'General case' 0 C--O 1.233 0.215 0 CA-C-O 122.072 0.939 . . . . 0.0 112.301 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B 1589 ' ' ARG . . . . . 0.605 HH11 ' HG2' ' A' 1085 ' ' GLU . 63.3 ttt180 -78.01 107.77 10.8 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 174.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1590 ' ' LYS . . . . . 0.409 ' HB2' ' OD1' ' A' 1101 ' ' ASP . 35.2 mttp -77.99 -12.56 60.0 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.999 -168.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.773 177.791 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 34.1 ttp180 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 121.253 0.549 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 1071 ' ' ARG . . . . . 0.605 ' HG2' HD13 ' A' 1095 ' ' ILE . 85.2 mtm180 -116.21 171.26 7.93 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.855 176.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1072 ' ' VAL . . . . . 0.633 HG12 ' HA ' ' A' 1126 ' ' ILE . 17.8 m -140.62 142.68 30.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 171.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1073 ' ' LYS . . . . . 0.756 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.2 OUTLIER -109.56 131.23 55.26 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.603 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1074 ' ' THR . . . . . 0.689 ' HA ' HG12 ' A' 1124 ' ' VAL . 64.8 p -73.32 111.74 8.73 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.638 0.732 . . . . 0.0 110.082 -178.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1075 ' ' ILE . . . . . 0.605 HG13 ' CD2' ' A' 1076 ' ' TYR . 13.6 pt -93.69 -6.72 10.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.444 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1076 ' ' TYR . . . . . 0.749 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 96.0 m-85 -138.06 174.13 10.89 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 113.918 -1.492 . . . . 0.0 110.126 176.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1077 ' ' ASP . . . . . 0.495 ' HB2' HG22 ' A' 1089 ' ' ILE . 6.9 p-10 -107.1 129.49 54.82 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.121 172.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1078 ' ' CYS . . . . . 0.795 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 45.6 t -138.98 140.16 38.13 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 121.054 0.454 . . . . 0.0 110.517 -178.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1079 ' ' GLN . . . . . 0.645 ' HA ' HG23 ' A' 1087 ' ' THR . 2.0 mp0 -108.43 175.92 5.3 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.339 178.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1080 ' ' ALA . . . . . 0.512 ' HA ' ' HG2' ' A' 1085 ' ' GLU . . . -44.25 142.79 1.39 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 113.938 -1.483 . . . . 0.0 114.634 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 26.2 t0 -110.03 -19.26 13.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.44 170.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1082 ' ' ASN . . . . . 0.404 ' O ' ' HG3' ' A' 1085 ' ' GLU . 3.5 t-20 -159.43 -166.84 1.88 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.418 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 18.4 t70 -69.22 -39.51 78.53 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.892 0.377 . . . . 0.0 111.551 -177.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 28.3 p-10 -103.63 77.4 1.48 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.645 0.736 . . . . 0.0 111.242 -174.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . 0.512 ' HG2' ' HA ' ' A' 1080 ' ' ALA . 0.0 OUTLIER -134.76 -173.92 3.44 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.43 0.633 . . . . 0.0 112.085 -178.202 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' 1116 ' ' LYS . 5.9 tt -131.82 104.92 7.15 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.059 -0.973 . . . . 0.0 108.986 172.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . 0.645 HG23 ' HA ' ' A' 1079 ' ' GLN . 29.9 m -79.91 133.99 36.26 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.846 178.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1088 ' ' PHE . . . . . 0.651 ' HE2' ' HB2' ' A' 1119 ' ' PHE . 7.4 p90 -145.82 164.01 33.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.381 0.61 . . . . 0.0 111.954 -174.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1089 ' ' ILE . . . . . 0.589 HD12 ' HG2' ' A' 1092 ' ' GLU . 1.8 pp -129.38 161.75 38.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.333 -0.848 . . . . 0.0 110.077 176.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -55.1 124.28 16.35 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.546 0.529 . . . . 0.0 110.567 -178.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 116.7 -13.67 14.95 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.209 178.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1092 ' ' GLU . . . . . 0.589 ' HG2' HD12 ' A' 1089 ' ' ILE . 62.9 mm-40 -73.75 152.06 40.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.364 0.602 . . . . 0.0 110.975 177.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1093 ' ' VAL . . . . . 0.529 HG22 ' HG2' ' A' 1073 ' ' LYS . 58.5 t -127.34 125.64 66.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.575 179.259 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1094 ' ' ILE . . . . . 0.664 HG12 HD13 ' A' 1109 ' ' ILE . 18.4 mt -119.08 136.34 56.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.151 0.5 . . . . 0.0 112.115 -171.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1095 ' ' ILE . . . . . 0.605 HD13 ' HG2' ' A' 1071 ' ' ARG . 16.6 mm -84.81 116.6 28.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 170.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 27.5 t -77.97 110.04 13.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1097 ' ' THR . . . . . 0.576 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 17.1 p -100.3 -16.27 17.75 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.312 -177.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -167.43 -175.37 37.32 Favored Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 120.362 -0.923 . . . . 0.0 112.872 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1099 ' ' GLU . . . . . 0.417 ' HG3' ' CD1' ' A' 1105 ' ' TRP . 16.7 tt0 -143.48 144.63 32.07 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -122.91 -50.61 1.93 Allowed 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 176.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1101 ' ' ASP . . . . . 0.776 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 23.7 t70 -117.5 168.69 10.15 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 176.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -59.34 -41.01 88.2 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 121.327 0.584 . . . . 0.0 109.967 177.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -111.06 16.04 21.34 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.649 -173.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1104 ' ' TRP . . . . . 0.776 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 75.9 m95 -140.36 104.5 4.8 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.284 0.564 . . . . 0.0 110.55 177.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1105 ' ' TRP . . . . . 0.417 ' CD1' ' HG3' ' A' 1099 ' ' GLU . 45.2 m0 -107.56 166.74 10.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.517 -177.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 53.9 mt -116.36 137.5 49.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.834 -174.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1107 ' ' GLY . . . . . 0.576 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -176.72 -166.62 34.08 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 119.418 -1.372 . . . . 0.0 113.494 177.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1108 ' ' HIS . . . . . 0.603 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 16.3 p-80 -143.02 149.49 38.34 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1109 ' ' ILE . . . . . 0.664 HD13 HG12 ' A' 1094 ' ' ILE . 50.9 mm -58.01 138.38 19.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 123.202 0.314 . . . . 0.0 110.305 -179.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . 0.508 ' HA ' HG12 ' A' 1095 ' ' ILE . 16.1 tt0 -48.2 -56.48 7.82 Favored 'General case' 0 N--CA 1.463 0.201 0 O-C-N 123.619 0.575 . . . . 0.0 111.695 -171.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -102.14 25.68 26.93 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.354 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1112 ' ' GLN . . . . . 0.471 ' HB3' ' HB ' ' A' 1109 ' ' ILE . 0.4 OUTLIER -147.72 81.59 8.39 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.096 0.474 . . . . 0.0 110.049 -178.828 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -70.62 -7.62 21.74 Favored 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 123.519 2.812 . . . . 0.0 112.967 -177.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -87.26 -19.06 28.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.355 0.598 . . . . 0.0 109.878 178.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1115 ' ' ARG . . . . . 0.426 ' O ' ' HA ' ' A' 1108 ' ' HIS . 97.2 mtt180 -93.06 95.15 9.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.024 174.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1116 ' ' LYS . . . . . 0.603 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 0.0 OUTLIER -141.86 145.46 34.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.129 0.49 . . . . 0.0 112.063 -179.338 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1117 ' ' GLY . . . . . 0.424 ' HA3' ' O ' ' A' 1085 ' ' GLU . . . 168.41 -161.99 35.74 Favored Glycine 0 N--CA 1.446 -0.641 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.483 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1118 ' ' VAL . . . . . 0.483 ' H ' ' HA ' ' A' 1085 ' ' GLU . 2.6 t -99.34 129.21 50.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1119 ' ' PHE . . . . . 0.651 ' HB2' ' HE2' ' A' 1088 ' ' PHE . 22.9 p90 -126.09 146.79 57.02 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.987 -177.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1120 ' ' PRO . . . . . 0.533 ' HG3' ' SG ' ' A' 1078 ' ' CYS . 72.3 Cg_endo -78.67 128.29 8.51 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.52 2.146 . . . . 0.0 112.342 -179.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1121 ' ' VAL . . . . . 0.588 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 57.7 t -66.5 -16.69 21.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.215 179.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1122 ' ' SER . . . . . 0.428 ' HB2' ' CD1' ' A' 1123 ' ' PHE . 0.0 OUTLIER -63.36 -27.37 69.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.757 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1123 ' ' PHE . . . . . 0.795 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.5 OUTLIER -109.77 3.9 21.27 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.289 0.566 . . . . 0.0 110.72 -174.717 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.689 HG12 ' HA ' ' A' 1074 ' ' THR . 12.4 m -129.12 169.41 20.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.505 -179.449 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 72.2 t60 -132.57 135.42 45.92 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1126 ' ' ILE . . . . . 0.633 ' HA ' HG12 ' A' 1072 ' ' VAL . 1.9 mp -76.66 134.57 28.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.427 0.632 . . . . 0.0 111.988 -173.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1127 ' ' LEU . . . . . 0.756 HD11 ' HB2' ' A' 1073 ' ' LYS . 33.9 mt -126.28 86.92 2.59 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.893 -1.049 . . . . 0.0 109.647 178.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 20.1 m -85.95 0.95 51.91 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.951 0.881 . . . . 0.0 109.657 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 C--O 1.249 1.03 0 CA-C-N 114.086 -1.415 . . . . 0.0 108.769 175.903 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 57.8 m . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 6.8 mt -67.18 125.94 25.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.128 0.489 . . . . 0.0 110.061 174.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1580 ' ' ILE . . . . . 0.439 HG22 ' OH ' ' A' 1076 ' ' TYR . 1.6 mp -76.68 132.76 32.33 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.198 175.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 6.2 t 44.55 -138.59 0.39 Allowed 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 121.497 0.665 . . . . 0.0 112.717 172.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -111.87 152.05 28.4 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.822 171.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1583 ' ' MET . . . . . 0.455 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 3.6 ttm -50.83 133.43 28.51 Favored Pre-proline 0 C--N 1.328 -0.339 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 -173.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1584 ' ' PRO . . . . . 0.749 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 95.2 Cg_endo -83.49 -176.04 2.58 Favored 'Trans proline' 0 N--CA 1.449 -1.134 0 C-N-CA 123.295 2.664 . . . . 0.0 110.413 175.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 7.5 m -105.71 128.25 53.56 Favored 'General case' 0 C--N 1.308 -1.198 0 C-N-CA 120.692 -0.403 . . . . 0.0 109.935 -177.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1586 ' ' LYS . . . . . 0.426 ' C ' ' H ' ' B' 1588 ' ' SER . 4.0 tmmt? -63.43 97.12 0.13 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 170.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 13.3 m -72.42 21.0 0.07 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.286 -0.87 . . . . 0.0 113.133 -166.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1588 ' ' SER . . . . . 0.426 ' H ' ' C ' ' B' 1586 ' ' LYS . 17.3 m 65.08 125.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 123.854 0.721 . . . . 0.0 111.046 -178.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1589 ' ' ARG . . . . . 0.416 ' HB2' ' CE2' ' A' 1104 ' ' TRP . 16.4 ttt180 -73.31 105.54 4.75 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.558 0.694 . . . . 0.0 109.442 176.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B 1590 ' ' LYS . . . . . . . . . . . . . 33.0 mttm -76.53 -6.96 54.11 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.327 -1.306 . . . . 0.0 111.665 -165.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.831 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.731 177.403 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 1070 ' ' ARG . . . . . 0.544 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 26.9 ttm180 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1071 ' ' ARG . . . . . 0.47 ' HG2' HD13 ' A' 1095 ' ' ILE . 65.8 mtt85 -113.29 150.0 33.11 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.935 0.398 . . . . 0.0 111.303 178.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1072 ' ' VAL . . . . . 0.6 HG12 ' HA ' ' A' 1126 ' ' ILE . 29.1 m -135.08 136.85 51.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.272 169.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1073 ' ' LYS . . . . . 0.752 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.1 OUTLIER -105.25 134.85 47.68 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 178.138 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1074 ' ' THR . . . . . 0.588 ' HA ' HG12 ' A' 1124 ' ' VAL . 70.5 p -75.51 118.5 18.44 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 121.231 0.539 . . . . 0.0 110.266 -177.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1075 ' ' ILE . . . . . 0.624 HG13 ' CD2' ' A' 1076 ' ' TYR . 21.4 pt -98.14 -7.73 9.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.967 0.889 . . . . 0.0 109.291 179.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1076 ' ' TYR . . . . . 0.772 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 96.6 m-85 -136.93 176.41 8.73 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 113.721 -1.581 . . . . 0.0 109.278 176.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -115.26 131.19 57.01 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 173.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1078 ' ' CYS . . . . . 0.756 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 36.7 t -139.12 147.92 42.57 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.794 -175.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1079 ' ' GLN . . . . . 0.553 ' HG2' HG23 ' A' 1087 ' ' THR . 83.6 mt-30 -119.74 155.75 31.87 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.469 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1080 ' ' ALA . . . . . . . . . . . . . . . -59.97 128.57 37.53 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 114.588 -1.187 . . . . 0.0 112.238 -173.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1081 ' ' ASP . . . . . 0.413 ' H ' ' HG3' ' A' 1085 ' ' GLU . 36.8 t70 -77.51 -23.59 50.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.013 177.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1082 ' ' ASN . . . . . 0.408 ' H ' ' HG2' ' A' 1085 ' ' GLU . 2.9 t-20 -150.58 -174.96 4.92 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.777 -1.101 . . . . 0.0 108.976 -173.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -69.09 -38.98 79.28 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -175.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -94.32 17.23 13.21 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -171.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . 0.413 ' HG3' ' H ' ' A' 1081 ' ' ASP . 11.0 mm-40 -89.54 -173.7 4.06 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 176.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . 0.444 HD12 ' CA ' ' A' 1116 ' ' LYS . 8.0 tt -132.56 118.41 19.19 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.072 0.463 . . . . 0.0 110.702 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . 0.553 HG23 ' HG2' ' A' 1079 ' ' GLN . 96.7 m -81.62 136.75 35.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.453 177.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1088 ' ' PHE . . . . . 0.616 ' HE2' ' HB2' ' A' 1119 ' ' PHE . 20.8 p90 -147.67 154.75 41.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.617 0.246 . . . . 0.0 110.953 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1089 ' ' ILE . . . . . 0.66 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -121.64 154.49 25.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 179.644 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1090 ' ' GLU . . . . . 0.515 ' HG3' HG12 ' B' 1579 ' ' ILE . 2.2 tm-20 -54.96 124.64 17.37 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.348 0.405 . . . . 0.0 110.816 -177.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 108.55 -1.06 32.46 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.727 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1092 ' ' GLU . . . . . 0.536 ' HG3' HD12 ' A' 1109 ' ' ILE . 5.5 tp10 -93.17 161.4 14.44 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.938 0.399 . . . . 0.0 110.07 -178.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1093 ' ' VAL . . . . . 0.429 HG22 ' HG2' ' A' 1073 ' ' LYS . 69.6 t -127.1 126.44 68.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.819 -175.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1094 ' ' ILE . . . . . 0.542 HG12 HD13 ' A' 1109 ' ' ILE . 13.8 mt -116.51 131.39 69.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.001 0.429 . . . . 0.0 110.831 -177.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1095 ' ' ILE . . . . . 0.47 HD13 ' HG2' ' A' 1071 ' ' ARG . 43.9 mm -89.4 113.11 25.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 174.077 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1096 ' ' VAL . . . . . 0.544 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 42.9 t -77.14 110.95 13.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.085 0.469 . . . . 0.0 110.612 -177.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1097 ' ' THR . . . . . 0.469 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 11.1 p -101.59 -13.28 17.91 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.124 -177.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -166.7 -176.25 37.59 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.529 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -146.05 148.74 32.99 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 -179.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -130.03 -45.16 1.15 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.458 0.647 . . . . 0.0 109.421 175.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1101 ' ' ASP . . . . . 0.591 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 13.4 t70 -114.59 177.18 4.74 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 176.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -74.53 -36.66 63.15 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 172.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1103 ' ' GLU . . . . . 0.587 ' OE1' ' HB2' ' B' 1587 ' ' SER . 21.9 tt0 -102.96 2.39 35.0 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 114.364 -1.289 . . . . 0.0 110.601 -174.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1104 ' ' TRP . . . . . 0.591 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 74.3 m95 -136.15 108.72 7.44 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.446 0.641 . . . . 0.0 110.9 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 46.9 m0 -109.7 167.99 9.74 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.364 -178.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1106 ' ' ILE . . . . . 0.63 HG12 HG22 ' A' 1118 ' ' VAL . 57.2 mt -116.09 136.16 53.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.608 -177.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1107 ' ' GLY . . . . . 0.469 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -172.64 -162.67 25.16 Favored Glycine 0 N--CA 1.436 -1.36 0 C-N-CA 119.776 -1.202 . . . . 0.0 112.426 178.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 26.8 p-80 -147.93 143.22 27.19 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -177.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1109 ' ' ILE . . . . . 0.542 HD13 HG12 ' A' 1094 ' ' ILE . 30.1 mm -58.62 136.67 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 177.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -71.14 -39.92 71.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.038 -175.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -71.15 -41.61 59.79 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.23 178.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1112 ' ' GLN . . . . . 0.515 ' HG2' HG21 ' A' 1109 ' ' ILE . 4.3 pt20 -125.37 80.55 65.19 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-O 122.219 1.009 . . . . 0.0 109.885 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1113 ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' 1112 ' ' GLN . 24.1 Cg_endo -61.37 -13.28 28.02 Favored 'Trans proline' 0 N--CA 1.472 0.234 0 C-N-CA 123.955 3.104 . . . . 0.0 114.115 -171.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -80.95 -11.02 59.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.98 0.419 . . . . 0.0 110.238 -178.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 65.2 mtt-85 -90.31 98.22 11.65 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 169.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1116 ' ' LYS . . . . . 0.65 ' HD3' ' H ' ' A' 1116 ' ' LYS . 0.0 OUTLIER -129.85 159.5 36.39 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.081 -179.472 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 156.61 -162.97 31.9 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1118 ' ' VAL . . . . . 0.63 HG22 HG12 ' A' 1106 ' ' ILE . 4.7 t -101.21 130.65 50.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.965 0.412 . . . . 0.0 110.613 -179.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1119 ' ' PHE . . . . . 0.616 ' HB2' ' HE2' ' A' 1088 ' ' PHE . 28.8 p90 -126.88 146.1 56.17 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.192 -176.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1120 ' ' PRO . . . . . 0.555 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 42.9 Cg_endo -75.06 120.36 6.02 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 122.668 2.245 . . . . 0.0 112.601 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1121 ' ' VAL . . . . . 0.555 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 81.3 t -61.79 -18.22 18.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.364 177.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 8.3 t -62.28 -25.17 67.7 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.572 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1123 ' ' PHE . . . . . 0.756 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.5 OUTLIER -109.09 1.3 20.36 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.209 0.528 . . . . 0.0 111.123 -174.758 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.588 HG12 ' HA ' ' A' 1074 ' ' THR . 16.2 m -128.17 171.51 16.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.044 -177.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 33.3 t60 -133.85 131.86 39.7 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.173 0.511 . . . . 0.0 110.345 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1126 ' ' ILE . . . . . 0.6 ' HA ' HG12 ' A' 1072 ' ' VAL . 1.8 mp -68.71 135.61 28.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.847 -177.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1127 ' ' LEU . . . . . 0.752 HD11 ' HB2' ' A' 1073 ' ' LYS . 32.1 mt -114.55 52.04 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.461 -177.073 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 32.5 p -92.01 5.62 49.46 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.736 0.779 . . . . 0.0 110.098 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 22.3 t70 . . . . . 0 C--O 1.25 1.111 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.361 -179.59 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 73.3 m . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B 1579 ' ' ILE . . . . . 0.515 HG12 ' HG3' ' A' 1090 ' ' GLU . 10.2 mt -66.67 122.59 17.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-O 121.013 0.435 . . . . 0.0 110.594 179.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1580 ' ' ILE . . . . . 0.417 HD13 ' HB ' ' A' 1075 ' ' ILE . 1.6 mp -76.06 126.36 36.69 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.16 174.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 49.5 m 51.07 -143.51 0.63 Allowed 'General case' 0 C--N 1.323 -0.575 0 O-C-N 123.589 0.555 . . . . 0.0 112.188 172.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -108.78 160.7 15.76 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 168.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1583 ' ' MET . . . . . 0.593 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 2.2 ttm -52.07 137.65 36.99 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -172.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1584 ' ' PRO . . . . . 0.772 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 60.4 Cg_endo -87.9 -176.55 1.7 Allowed 'Trans proline' 0 N--CA 1.451 -1.001 0 C-N-CA 123.481 2.787 . . . . 0.0 110.57 176.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 7.2 m -105.22 134.0 49.06 Favored 'General case' 0 C--N 1.312 -1.032 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.744 -175.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1586 ' ' LYS . . . . . 0.406 ' C ' ' H ' ' B' 1588 ' ' SER . 20.9 ttmt -68.37 93.05 0.45 Allowed 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 167.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1587 ' ' SER . . . . . 0.587 ' HB2' ' OE1' ' A' 1103 ' ' GLU . 2.9 m -77.19 24.89 0.17 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.978 -167.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1588 ' ' SER . . . . . 0.406 ' H ' ' C ' ' B' 1586 ' ' LYS . 46.0 m 65.2 134.36 0.02 OUTLIER 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.724 0.773 . . . . 0.0 111.355 -178.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1589 ' ' ARG . . . . . 0.498 ' HA ' ' CD1' ' A' 1104 ' ' TRP . 6.9 ttt180 -76.55 101.05 5.51 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.661 0.744 . . . . 0.0 109.189 176.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B 1590 ' ' LYS . . . . . . . . . . . . . 14.9 mtmm -71.79 -25.31 61.96 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.325 -1.307 . . . . 0.0 111.742 -169.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.563 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.706 179.027 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 1070 ' ' ARG . . . . . 0.517 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 44.1 ttm180 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1071 ' ' ARG . . . . . 0.56 ' HD2' HD23 ' A' 1127 ' ' LEU . 31.1 ttm180 -123.57 146.95 47.75 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 120.154 -0.618 . . . . 0.0 109.729 -178.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1072 ' ' VAL . . . . . 0.604 HG12 ' HA ' ' A' 1126 ' ' ILE . 27.0 m -132.64 145.47 34.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 173.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1073 ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' 1074 ' ' THR . 0.4 OUTLIER -111.93 131.62 55.26 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 177.402 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1074 ' ' THR . . . . . 0.593 ' HA ' HG12 ' A' 1124 ' ' VAL . 49.4 p -74.86 123.87 25.83 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.169 0.509 . . . . 0.0 110.584 -175.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1075 ' ' ILE . . . . . 0.657 HG13 ' CD2' ' A' 1076 ' ' TYR . 23.9 pt -102.02 -3.27 9.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.396 0.617 . . . . 0.0 110.776 -178.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1076 ' ' TYR . . . . . 0.785 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 95.5 m-85 -139.33 173.97 11.0 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.169 178.292 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1077 ' ' ASP . . . . . 0.4 ' HA ' ' HA ' ' A' 1089 ' ' ILE . 22.4 m-20 -106.27 105.1 14.97 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 177.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1078 ' ' CYS . . . . . 0.64 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 44.5 t -117.74 152.44 35.26 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.017 0.437 . . . . 0.0 110.644 -174.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1079 ' ' GLN . . . . . 0.585 ' HA ' HG23 ' A' 1087 ' ' THR . 29.6 tt0 -132.18 148.86 52.49 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.518 178.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1080 ' ' ALA . . . . . 0.423 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -68.01 136.15 53.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.795 -179.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.77 -42.87 11.66 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 177.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -109.46 -174.53 2.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.764 176.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 18.4 t70 -74.63 -39.37 62.15 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -172.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -87.05 14.26 7.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.986 0.422 . . . . 0.0 111.769 -170.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . 0.423 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 93.1 mt-10 -105.0 164.17 11.99 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.658 0.266 . . . . 0.0 110.489 -178.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . 0.572 ' HB3' ' HB3' ' A' 1119 ' ' PHE . 12.7 tp -101.26 130.62 47.43 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.016 0.436 . . . . 0.0 111.951 -172.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . 0.585 HG23 ' HA ' ' A' 1079 ' ' GLN . 60.2 m -98.71 116.92 32.01 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 170.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1088 ' ' PHE . . . . . 0.528 ' HE1' ' HD2' ' A' 1120 ' ' PRO . 25.6 p90 -139.56 136.79 34.81 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.964 0.412 . . . . 0.0 110.609 -175.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1089 ' ' ILE . . . . . 0.545 HD12 ' HB2' ' A' 1092 ' ' GLU . 1.8 pp -101.43 160.53 3.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.35 -178.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1090 ' ' GLU . . . . . 0.41 ' HG3' ' HA ' ' B' 1579 ' ' ILE . 2.9 tm-20 -60.5 127.36 31.32 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -177.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 105.18 -1.52 40.62 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.613 -0.803 . . . . 0.0 111.9 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1092 ' ' GLU . . . . . 0.545 ' HB2' HD12 ' A' 1089 ' ' ILE . 3.9 tp10 -85.02 160.89 19.93 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.118 0.485 . . . . 0.0 110.174 179.029 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 96.6 t -128.02 120.25 53.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.326 -175.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1094 ' ' ILE . . . . . 0.542 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 10.0 mt -113.84 133.58 59.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.968 0.413 . . . . 0.0 110.956 -176.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 47.8 mm -92.5 116.62 34.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 173.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1096 ' ' VAL . . . . . 0.517 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 48.1 t -79.98 114.66 21.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.968 0.413 . . . . 0.0 110.508 -176.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1097 ' ' THR . . . . . 0.522 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 7.8 p -102.47 -19.77 14.78 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.275 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -158.76 -174.77 28.9 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.492 -0.861 . . . . 0.0 113.034 -178.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1099 ' ' GLU . . . . . 0.485 ' HG3' ' CD1' ' A' 1105 ' ' TRP . 15.2 tt0 -153.71 131.76 11.78 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 -177.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -117.81 -34.63 4.14 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.129 0.49 . . . . 0.0 109.927 -177.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1101 ' ' ASP . . . . . 0.604 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 23.8 t70 -134.3 171.47 14.22 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 174.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1102 ' ' GLN . . . . . 0.595 ' HG2' ' N ' ' A' 1103 ' ' GLU . 0.0 OUTLIER -65.8 -34.66 78.68 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.489 0.661 . . . . 0.0 109.726 -179.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1103 ' ' GLU . . . . . 0.595 ' N ' ' HG2' ' A' 1102 ' ' GLN . 31.3 tt0 -109.96 9.77 24.35 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.142 -175.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1104 ' ' TRP . . . . . 0.604 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 80.2 m95 -137.89 104.05 5.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.056 0.455 . . . . 0.0 110.713 179.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1105 ' ' TRP . . . . . 0.485 ' CD1' ' HG3' ' A' 1099 ' ' GLU . 44.8 m0 -108.13 164.13 12.57 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.491 -177.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1106 ' ' ILE . . . . . 0.72 HG12 HG22 ' A' 1118 ' ' VAL . 49.4 mt -116.45 136.02 54.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.042 -174.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1107 ' ' GLY . . . . . 0.522 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -177.34 -161.79 26.48 Favored Glycine 0 N--CA 1.437 -1.234 0 C-N-CA 119.961 -1.114 . . . . 0.0 112.901 177.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 12.4 p-80 -145.56 150.61 36.71 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -178.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1109 ' ' ILE . . . . . 0.824 ' HB ' ' HB2' ' A' 1112 ' ' GLN . 44.2 mm -66.69 134.06 30.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.681 -178.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -70.64 114.29 8.59 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 98.1 -9.37 63.38 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.431 -175.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1112 ' ' GLN . . . . . 0.824 ' HB2' ' HB ' ' A' 1109 ' ' ILE . 39.2 mt-30 -133.61 69.09 76.56 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 177.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -71.42 -12.83 30.04 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 123.24 2.627 . . . . 0.0 112.396 -173.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1114 ' ' GLU . . . . . 0.483 ' HG3' ' HG3' ' A' 1115 ' ' ARG . 13.3 pt-20 -81.54 -16.27 52.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.301 0.572 . . . . 0.0 110.199 177.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1115 ' ' ARG . . . . . 0.483 ' HG3' ' HG3' ' A' 1114 ' ' GLU . 94.7 mtt180 -105.51 90.62 3.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.053 -179.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1116 ' ' LYS . . . . . 0.506 ' HD3' ' H ' ' A' 1116 ' ' LYS . 0.0 OUTLIER -125.36 161.26 27.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.451 -178.805 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 161.36 -171.36 37.35 Favored Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 120.589 -0.815 . . . . 0.0 111.923 178.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1118 ' ' VAL . . . . . 0.72 HG22 HG12 ' A' 1106 ' ' ILE . 21.6 t -98.34 121.32 48.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.021 0.438 . . . . 0.0 110.311 178.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1119 ' ' PHE . . . . . 0.572 ' HB3' ' HB3' ' A' 1086 ' ' LEU . 19.2 p90 -114.86 143.22 29.65 Favored Pre-proline 0 C--N 1.319 -0.758 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.695 -176.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1120 ' ' PRO . . . . . 0.528 ' HD2' ' HE1' ' A' 1088 ' ' PHE . 56.3 Cg_endo -74.54 127.19 10.81 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.699 2.266 . . . . 0.0 112.264 176.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1121 ' ' VAL . . . . . 0.56 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 70.8 t -66.47 -16.32 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.119 178.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -25.64 67.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.166 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1123 ' ' PHE . . . . . 0.64 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.6 OUTLIER -110.25 1.72 18.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.052 0.453 . . . . 0.0 111.007 -174.776 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.593 HG12 ' HA ' ' A' 1074 ' ' THR . 16.1 m -125.57 174.97 8.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.365 179.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 20.2 t60 -137.6 135.54 36.71 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1126 ' ' ILE . . . . . 0.604 ' HA ' HG12 ' A' 1072 ' ' VAL . 1.8 mp -67.58 125.3 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.787 -175.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1127 ' ' LEU . . . . . 0.56 HD23 ' HD2' ' A' 1071 ' ' ARG . 6.2 tp -104.77 -62.31 1.35 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.452 -175.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 70.9 m 53.38 65.75 1.43 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.551 -178.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 1129 ' ' ASP . . . . . 0.473 ' OD2' ' HG ' ' A' 1127 ' ' LEU . 45.6 m-20 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.842 -0.599 . . . . 0.0 109.988 175.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 64.2 m . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B 1579 ' ' ILE . . . . . 0.41 ' HA ' ' HG3' ' A' 1090 ' ' GLU . 16.7 mt -66.16 122.01 16.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.045 0.45 . . . . 0.0 110.175 179.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 1580 ' ' ILE . . . . . 0.504 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.7 mp -75.58 113.52 14.54 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 174.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 48.7 m 56.66 -154.31 0.34 Allowed 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 170.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -91.22 158.16 16.76 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 171.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1583 ' ' MET . . . . . 0.675 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 1.5 ttm -60.19 141.0 90.97 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -173.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 1584 ' ' PRO . . . . . 0.785 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 89.1 Cg_endo -86.73 -175.94 1.82 Allowed 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 123.559 2.839 . . . . 0.0 110.955 175.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 23.2 m -111.71 132.47 54.6 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 -176.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1586 ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -61.39 102.03 0.21 Allowed 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 170.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 8.3 t -74.51 7.89 2.65 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.214 -171.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1588 ' ' SER . . . . . . . . . . . . . 51.0 m 65.77 150.11 0.05 OUTLIER 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 121.923 0.868 . . . . 0.0 110.941 -176.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1589 ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -91.93 112.93 25.06 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.82 -175.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B 1590 ' ' LYS . . . . . 0.647 ' HD2' ' H ' ' B' 1590 ' ' LYS . 0.1 OUTLIER -60.79 -35.82 77.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.305 -172.078 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.391 0 CA-C-O 121.3 0.571 . . . . 0.0 110.718 177.229 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 1070 ' ' ARG . . . . . 0.747 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 35.1 ttm-85 . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1071 ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' 1071 ' ' ARG . 17.8 ttt180 -117.91 128.91 55.27 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.043 0.449 . . . . 0.0 111.016 -176.077 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1072 ' ' VAL . . . . . 0.653 HG12 ' HA ' ' A' 1126 ' ' ILE . 15.1 m -130.17 157.99 42.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.725 177.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1073 ' ' LYS . . . . . 0.655 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.3 OUTLIER -123.13 136.12 54.64 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1074 ' ' THR . . . . . 0.63 ' HA ' HG12 ' A' 1124 ' ' VAL . 60.3 p -74.65 117.59 16.65 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 121.332 0.587 . . . . 0.0 110.243 -178.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1075 ' ' ILE . . . . . 0.614 HG13 ' CD2' ' A' 1076 ' ' TYR . 16.0 pt -98.46 0.43 10.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 121.595 0.712 . . . . 0.0 110.137 -178.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1076 ' ' TYR . . . . . 0.797 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 87.8 m-85 -143.15 172.89 12.12 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.424 -1.262 . . . . 0.0 110.916 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 5.3 t70 -104.61 127.57 52.39 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 174.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1078 ' ' CYS . . . . . 0.651 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 41.1 t -140.15 147.71 40.57 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-O 120.965 0.412 . . . . 0.0 110.636 -173.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1079 ' ' GLN . . . . . 0.501 ' HA ' HG23 ' A' 1087 ' ' THR . 29.8 tt0 -133.44 148.6 51.77 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.923 -179.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1080 ' ' ALA . . . . . 0.494 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -60.27 133.82 56.46 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.724 -1.125 . . . . 0.0 112.156 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1081 ' ' ASP . . . . . 0.847 ' HB2' ' HE3' ' B' 1586 ' ' LYS . 21.0 t70 -85.63 -48.65 8.68 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 173.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1082 ' ' ASN . . . . . 0.408 ' O ' ' HB1' ' A' 1080 ' ' ALA . 6.2 t-20 -102.88 -177.41 3.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.331 -0.849 . . . . 0.0 108.905 173.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 17.1 t70 -72.78 -36.25 67.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 118.018 0.372 . . . . 0.0 111.022 -175.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 37.9 t70 -92.99 53.29 1.96 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.61 0.719 . . . . 0.0 110.102 -176.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . 0.494 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 45.5 mt-10 -133.35 153.6 51.45 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.383 174.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . 0.446 HD23 ' HB3' ' A' 1119 ' ' PHE . 15.6 tp -91.39 124.07 35.3 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.813 0.339 . . . . 0.0 111.235 -176.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . 0.501 HG23 ' HA ' ' A' 1079 ' ' GLN . 89.7 m -94.53 116.77 29.17 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 170.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1088 ' ' PHE . . . . . 0.718 ' HE1' ' HD2' ' A' 1120 ' ' PRO . 32.0 p90 -136.83 144.25 43.55 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.383 -175.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1089 ' ' ILE . . . . . 0.753 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -109.89 156.59 10.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.713 -175.478 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1090 ' ' GLU . . . . . 0.621 ' HG3' HG12 ' B' 1579 ' ' ILE . 2.9 tm-20 -59.85 124.57 20.59 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.39 -176.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 108.74 -1.34 32.08 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.665 -179.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1092 ' ' GLU . . . . . 0.449 ' HG3' HD12 ' A' 1109 ' ' ILE . 4.2 tp10 -91.55 161.51 14.92 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -179.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 41.9 t -126.8 139.5 51.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -177.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1094 ' ' ILE . . . . . 0.459 HG12 HD13 ' A' 1109 ' ' ILE . 18.0 mt -126.83 135.82 62.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.024 0.44 . . . . 0.0 110.972 -177.104 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1095 ' ' ILE . . . . . 0.503 HG12 ' HG2' ' A' 1110 ' ' GLU . 39.8 mm -94.37 111.99 26.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 172.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1096 ' ' VAL . . . . . 0.747 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 41.1 t -76.6 115.64 18.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.359 -178.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 17.8 p -99.69 -21.04 15.99 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.807 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -164.0 -176.3 35.73 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.581 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -136.11 138.18 41.78 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1100 ' ' GLU . . . . . 0.573 ' OE1' ' HD2' ' B' 1589 ' ' ARG . 34.0 tt0 -114.95 -30.32 6.43 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.749 0.785 . . . . 0.0 109.395 -178.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1101 ' ' ASP . . . . . 0.789 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 27.8 t70 -145.9 179.67 7.31 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.776 -1.102 . . . . 0.0 108.728 177.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -66.08 -47.37 74.48 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.183 0.516 . . . . 0.0 109.98 176.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -106.52 16.93 24.02 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.581 -174.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1104 ' ' TRP . . . . . 0.789 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 68.4 m95 -141.15 107.63 5.3 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.599 179.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 45.2 m0 -111.49 166.17 11.37 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.753 -176.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1106 ' ' ILE . . . . . 0.51 HD11 ' HB2' ' A' 1100 ' ' GLU . 23.1 mt -116.6 137.02 51.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.105 -175.177 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -178.43 -159.73 23.44 Favored Glycine 0 N--CA 1.439 -1.119 0 C-N-CA 119.876 -1.154 . . . . 0.0 112.928 176.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -145.55 150.68 36.86 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 -177.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1109 ' ' ILE . . . . . 0.65 ' HB ' ' HB3' ' A' 1112 ' ' GLN . 33.1 mm -61.98 137.69 23.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.23 -177.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . 0.503 ' HG2' HG12 ' A' 1095 ' ' ILE . 0.5 OUTLIER -62.87 104.25 0.53 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.536 179.531 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 100.24 -7.69 58.57 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.986 -0.626 . . . . 0.0 111.721 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1112 ' ' GLN . . . . . 0.65 ' HB3' ' HB ' ' A' 1109 ' ' ILE . 6.3 tp60 -134.9 78.8 53.41 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.22 -22.59 66.86 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.741 2.294 . . . . 0.0 112.013 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -63.99 -33.32 75.48 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.621 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -88.79 90.09 8.26 Favored 'General case' 0 N--CA 1.439 -0.987 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1116 ' ' LYS . . . . . 0.597 ' HD3' ' H ' ' A' 1116 ' ' LYS . 0.2 OUTLIER -131.35 155.96 46.34 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.109 -178.46 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 160.42 -160.85 32.15 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.903 -0.665 . . . . 0.0 111.723 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1118 ' ' VAL . . . . . . . . . . . . . 6.4 t -104.44 120.42 54.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.874 0.369 . . . . 0.0 110.178 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1119 ' ' PHE . . . . . 0.596 ' HZ ' HG22 ' A' 1096 ' ' VAL . 22.1 p90 -113.28 138.29 22.35 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 115.925 -0.579 . . . . 0.0 112.009 -177.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1120 ' ' PRO . . . . . 0.718 ' HD2' ' HE1' ' A' 1088 ' ' PHE . 46.6 Cg_endo -71.25 128.01 14.14 Favored 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 122.979 2.453 . . . . 0.0 112.34 175.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1121 ' ' VAL . . . . . 0.566 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 48.8 t -67.79 -15.14 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.122 178.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.01 -24.92 68.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.971 178.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1123 ' ' PHE . . . . . 0.651 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.6 OUTLIER -111.96 3.49 17.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.114 0.483 . . . . 0.0 110.879 -174.73 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.63 HG12 ' HA ' ' A' 1074 ' ' THR . 16.0 m -130.69 166.1 29.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.72 -179.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 54.9 t60 -133.02 134.69 44.77 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1126 ' ' ILE . . . . . 0.653 ' HA ' HG12 ' A' 1072 ' ' VAL . 2.5 mp -77.65 125.55 37.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.991 -175.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1127 ' ' LEU . . . . . 0.655 HD11 ' HB2' ' A' 1073 ' ' LYS . 54.7 mt -113.44 86.19 2.34 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.43 0.634 . . . . 0.0 110.74 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 21.2 t -104.42 13.35 32.08 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.176 175.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 11.5 p-10 . . . . . 0 C--O 1.243 0.734 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.768 -177.416 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 62.7 m . . . . . 0 N--CA 1.477 0.918 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B 1579 ' ' ILE . . . . . 0.621 HG12 ' HG3' ' A' 1090 ' ' GLU . 20.1 mt -67.29 127.53 29.01 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.351 0 CA-C-O 121.224 0.535 . . . . 0.0 110.19 175.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1580 ' ' ILE . . . . . 0.433 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.6 mp -75.7 122.03 28.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.686 176.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 49.0 m 54.95 -149.66 0.44 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.906 0.384 . . . . 0.0 111.624 173.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -94.55 163.34 13.43 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 168.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1583 ' ' MET . . . . . 0.602 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 4.9 ttm -63.57 138.58 97.41 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -175.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1584 ' ' PRO . . . . . 0.797 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 78.2 Cg_endo -84.28 -174.93 1.98 Allowed 'Trans proline' 0 N--CA 1.449 -1.123 0 C-N-CA 123.312 2.675 . . . . 0.0 110.713 175.308 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 25.9 m -120.9 137.54 54.54 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 -177.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1586 ' ' LYS . . . . . 0.847 ' HE3' ' HB2' ' A' 1081 ' ' ASP . 19.9 ttmm -59.08 103.9 0.2 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 174.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 25.7 m -72.62 16.29 0.15 Allowed 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -170.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B 1588 ' ' SER . . . . . 0.41 ' H ' ' C ' ' B' 1586 ' ' LYS . 13.4 m 64.4 115.23 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.742 0.782 . . . . 0.0 111.293 -178.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1589 ' ' ARG . . . . . 0.573 ' HD2' ' OE1' ' A' 1100 ' ' GLU . 13.0 ttp180 -64.62 113.65 3.88 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.163 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B 1590 ' ' LYS . . . . . 0.631 ' HD2' ' H ' ' B' 1590 ' ' LYS . 0.1 OUTLIER -68.15 -15.43 63.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.21 0.529 . . . . 0.0 110.4 -175.746 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.22 177.294 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 121.068 0.461 . . . . 0.0 109.795 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -103.96 137.74 41.51 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.199 -173.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1072 ' ' VAL . . . . . 0.757 HG12 ' HA ' ' A' 1126 ' ' ILE . 9.6 m -132.41 163.23 38.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.95 177.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1073 ' ' LYS . . . . . 0.545 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.4 OUTLIER -131.07 140.55 50.06 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 179.054 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1074 ' ' THR . . . . . 0.623 ' HA ' HG12 ' A' 1124 ' ' VAL . 46.2 p -78.72 121.3 24.55 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.267 0.556 . . . . 0.0 110.877 -177.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1075 ' ' ILE . . . . . 0.511 HG13 ' CD2' ' A' 1076 ' ' TYR . 14.2 pt -98.95 -8.19 9.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.588 0.709 . . . . 0.0 110.141 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1076 ' ' TYR . . . . . 0.815 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 96.7 m-85 -137.08 177.34 7.94 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.727 -1.124 . . . . 0.0 110.199 176.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -113.75 130.21 56.47 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.405 173.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1078 ' ' CYS . . . . . 0.666 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 48.6 t -134.99 151.66 51.03 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.181 -175.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1079 ' ' GLN . . . . . 0.559 ' HA ' HG23 ' A' 1087 ' ' THR . 52.8 tt0 -125.98 144.15 50.81 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.263 0.554 . . . . 0.0 110.86 177.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1080 ' ' ALA . . . . . 0.634 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -75.55 149.38 38.36 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.632 -1.167 . . . . 0.0 112.112 -177.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -96.79 -46.9 6.08 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 171.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 52.5 t30 -104.56 153.96 20.52 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 113.701 -1.591 . . . . 0.0 110.208 -175.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -57.94 -27.55 63.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.919 -1.037 . . . . 0.0 113.329 -167.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 1.1 p30 -100.12 12.15 37.64 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -175.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . 0.733 ' HG2' HH11 ' B' 1589 ' ' ARG . 42.8 mt-10 -96.18 163.53 13.06 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 176.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . 0.475 ' HB3' ' HB3' ' A' 1119 ' ' PHE . 12.3 tp -103.7 123.26 46.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.884 0.373 . . . . 0.0 111.683 -172.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . 0.559 HG23 ' HA ' ' A' 1079 ' ' GLN . 91.3 m -94.6 116.62 28.98 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 170.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1088 ' ' PHE . . . . . 0.808 ' HE2' ' HD2' ' A' 1120 ' ' PRO . 39.8 p90 -136.58 152.4 50.42 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.529 -175.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1089 ' ' ILE . . . . . 0.636 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -117.1 159.16 17.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.169 177.2 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1090 ' ' GLU . . . . . 0.414 ' HG3' ' HA ' ' B' 1579 ' ' ILE . 4.6 tm-20 -55.89 124.3 17.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.939 -177.228 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 116.39 -11.03 16.75 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.336 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1092 ' ' GLU . . . . . 0.459 ' HA ' ' OE1' ' A' 1092 ' ' GLU . 3.6 mm-40 -78.54 153.37 31.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.344 0.592 . . . . 0.0 110.813 178.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 58.6 t -119.26 132.69 68.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.111 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1094 ' ' ILE . . . . . 0.621 HG12 HD13 ' A' 1109 ' ' ILE . 19.7 mt -124.54 133.97 67.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.074 0.464 . . . . 0.0 111.133 -174.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 50.7 mm -95.67 113.28 29.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 172.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1096 ' ' VAL . . . . . 0.451 HG22 ' HZ ' ' A' 1119 ' ' PHE . 30.0 t -76.53 115.44 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.595 -175.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1097 ' ' THR . . . . . 0.513 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 4.1 p -97.45 -26.01 14.99 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 179.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -153.35 -171.35 20.49 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.624 -177.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1099 ' ' GLU . . . . . 0.436 ' HA ' ' HA ' ' A' 1105 ' ' TRP . 0.4 OUTLIER -156.92 133.89 10.3 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 -178.172 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -116.59 -34.58 4.49 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.471 0.653 . . . . 0.0 109.538 -178.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1101 ' ' ASP . . . . . 0.774 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 12.1 t70 -130.72 172.71 11.67 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.858 -1.065 . . . . 0.0 108.693 -178.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -69.53 -36.73 76.69 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.609 0.719 . . . . 0.0 109.084 177.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -112.97 16.26 19.43 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.62 -175.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1104 ' ' TRP . . . . . 0.774 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 79.1 m95 -141.33 107.88 5.32 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.8 177.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1105 ' ' TRP . . . . . 0.436 ' HA ' ' HA ' ' A' 1099 ' ' GLU . 43.6 m0 -112.4 164.19 13.55 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.656 -176.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1106 ' ' ILE . . . . . 0.811 HG12 HG22 ' A' 1118 ' ' VAL . 52.1 mt -116.64 136.56 53.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.907 -174.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1107 ' ' GLY . . . . . 0.513 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -176.69 -163.61 29.28 Favored Glycine 0 N--CA 1.441 -1.027 0 C-N-CA 119.894 -1.146 . . . . 0.0 112.648 178.051 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -139.37 149.04 43.68 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -177.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1109 ' ' ILE . . . . . 0.692 ' HB ' ' HB2' ' A' 1112 ' ' GLN . 49.7 mm -62.89 135.23 27.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -48.84 -63.18 1.17 Allowed 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.52 0.512 . . . . 0.0 111.62 -172.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -91.74 12.76 68.53 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.642 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1112 ' ' GLN . . . . . 0.692 ' HB2' ' HB ' ' A' 1109 ' ' ILE . 22.2 mm-40 -137.21 74.11 49.57 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 121.161 0.505 . . . . 0.0 110.312 178.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -69.75 -4.26 13.67 Favored 'Trans proline' 0 C--N 1.339 0.036 0 C-N-CA 123.367 2.711 . . . . 0.0 111.493 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -81.67 -17.46 47.94 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.644 175.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -109.79 98.42 7.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.395 -178.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1116 ' ' LYS . . . . . 0.419 ' HD3' ' N ' ' A' 1116 ' ' LYS . 0.1 OUTLIER -128.11 157.59 40.33 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 177.149 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 163.94 -172.25 39.74 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.201 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1118 ' ' VAL . . . . . 0.811 HG22 HG12 ' A' 1106 ' ' ILE . 11.2 t -99.78 117.56 45.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.038 0.447 . . . . 0.0 110.342 179.017 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1119 ' ' PHE . . . . . 0.49 ' CE1' HG21 ' A' 1094 ' ' ILE . 14.7 p90 -110.82 142.95 27.25 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.348 -176.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1120 ' ' PRO . . . . . 0.808 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 59.8 Cg_endo -74.73 128.68 11.9 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.68 2.253 . . . . 0.0 111.831 176.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1121 ' ' VAL . . . . . 0.583 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 46.8 t -68.71 -16.45 20.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.229 -179.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.57 -21.38 66.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.864 179.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1123 ' ' PHE . . . . . 0.666 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.5 OUTLIER -112.94 0.89 15.24 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 121.428 0.632 . . . . 0.0 110.646 -175.6 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.623 HG12 ' HA ' ' A' 1074 ' ' THR . 16.2 m -129.18 176.11 8.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.239 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 68.0 t60 -142.72 132.02 23.44 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1126 ' ' ILE . . . . . 0.757 ' HA ' HG12 ' A' 1072 ' ' VAL . 2.8 mp -73.87 132.64 33.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.205 -178.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1127 ' ' LEU . . . . . 0.545 HD11 ' HB2' ' A' 1073 ' ' LYS . 77.0 mt -117.61 93.09 4.03 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.664 0.745 . . . . 0.0 110.839 -178.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 16.8 t -92.77 44.84 1.16 Allowed 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.085 -0.961 . . . . 0.0 108.714 176.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 6.2 m-20 . . . . . 0 C--O 1.248 1.017 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.362 -179.905 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 28.3 m . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B 1579 ' ' ILE . . . . . 0.414 ' HA ' ' HG3' ' A' 1090 ' ' GLU . 8.6 mt -65.86 127.39 26.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 121.056 0.455 . . . . 0.0 110.356 175.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1580 ' ' ILE . . . . . 0.421 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.6 mp -78.05 121.65 31.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.544 175.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 51.1 m 53.64 -152.75 0.29 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 171.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -94.59 160.64 14.54 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 171.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1583 ' ' MET . . . . . 0.574 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 2.4 ttm -59.46 137.17 89.18 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -174.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1584 ' ' PRO . . . . . 0.815 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 97.4 Cg_endo -84.78 -175.95 2.28 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 123.436 2.758 . . . . 0.0 110.446 174.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 12.5 m -110.85 125.92 54.12 Favored 'General case' 0 C--N 1.313 -0.996 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.542 -177.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1586 ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -60.16 100.83 0.1 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.954 -1.021 . . . . 0.0 108.871 174.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 13.2 p -66.32 -14.71 62.46 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.251 -0.886 . . . . 0.0 113.114 -170.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1588 ' ' SER . . . . . . . . . . . . . 23.3 t 67.61 138.39 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.668 0.605 . . . . 0.0 109.55 -172.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B 1589 ' ' ARG . . . . . 0.733 HH11 ' HG2' ' A' 1085 ' ' GLU . 1.1 mtm-85 -70.36 134.86 48.29 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.191 -0.604 . . . . 0.0 109.727 -175.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1590 ' ' LYS . . . . . 0.492 ' HD2' ' N ' ' B' 1590 ' ' LYS . 3.7 mptp? -81.84 -3.9 55.15 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.951 -175.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.394 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.423 174.202 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 1070 ' ' ARG . . . . . 0.576 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 39.9 ttm180 . . . . . 0 N--CA 1.452 -0.362 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1071 ' ' ARG . . . . . 0.503 ' HG3' HD13 ' A' 1095 ' ' ILE . 39.9 ttt180 -135.42 134.57 39.81 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.095 -172.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1072 ' ' VAL . . . . . 0.568 HG12 ' HA ' ' A' 1126 ' ' ILE . 28.0 m -125.21 152.47 31.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 120.949 0.404 . . . . 0.0 111.04 178.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1073 ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' 1074 ' ' THR . 0.3 OUTLIER -119.53 134.01 55.41 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 177.231 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1074 ' ' THR . . . . . 0.563 ' HA ' HG12 ' A' 1124 ' ' VAL . 51.9 p -77.49 129.09 35.27 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-O 121.082 0.468 . . . . 0.0 110.937 -175.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1075 ' ' ILE . . . . . 0.563 HG13 ' CD2' ' A' 1076 ' ' TYR . 25.2 pt -101.18 -7.26 9.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-O 121.413 0.625 . . . . 0.0 110.078 179.218 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1076 ' ' TYR . . . . . 0.805 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 65.6 m-85 -137.42 176.89 8.3 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.589 -1.187 . . . . 0.0 111.095 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 2.9 t70 -107.41 132.95 52.62 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.348 -1.296 . . . . 0.0 108.573 173.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1078 ' ' CYS . . . . . 0.655 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 47.1 t -145.98 146.4 30.99 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.421 -174.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1079 ' ' GLN . . . . . 0.566 ' HA ' HG23 ' A' 1087 ' ' THR . 51.5 tt0 -127.74 144.35 51.09 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.821 -179.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1080 ' ' ALA . . . . . . . . . . . . . . . -57.81 128.8 38.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.03 -0.986 . . . . 0.0 112.549 -175.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 17.2 t70 -77.93 -34.07 51.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.11 178.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1082 ' ' ASN . . . . . 0.5 ' H ' ' CG ' ' A' 1085 ' ' GLU . 8.4 t-20 -133.99 -169.77 2.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.997 -1.001 . . . . 0.0 108.755 -177.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 34.6 t70 -69.33 -40.04 77.84 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -173.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 29.5 t70 -107.05 32.95 4.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.598 0.713 . . . . 0.0 111.651 -174.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . 0.513 ' CD ' HH21 ' B' 1589 ' ' ARG . 16.4 mm-40 -96.08 -171.4 2.31 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 170.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . 0.436 ' CD2' HD13 ' A' 1094 ' ' ILE . 14.1 tp -123.67 133.23 53.93 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 120.044 -0.662 . . . . 0.0 112.106 -178.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . 0.566 HG23 ' HA ' ' A' 1079 ' ' GLN . 36.4 m -102.91 121.35 42.34 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 170.136 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1088 ' ' PHE . . . . . 0.54 ' HB2' HG21 ' A' 1074 ' ' THR . 12.5 p90 -143.57 138.19 28.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.034 0.445 . . . . 0.0 110.554 -176.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1089 ' ' ILE . . . . . 0.639 HD12 ' HB2' ' A' 1092 ' ' GLU . 1.8 pp -100.42 154.71 4.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.122 -177.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1090 ' ' GLU . . . . . 0.56 ' HG3' HG12 ' B' 1579 ' ' ILE . 3.7 tm-20 -56.9 126.58 27.71 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 -178.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 105.54 -2.95 39.51 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.912 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1092 ' ' GLU . . . . . 0.639 ' HB2' HD12 ' A' 1089 ' ' ILE . 6.3 tp10 -80.95 160.59 24.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.213 0.53 . . . . 0.0 110.51 -178.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1093 ' ' VAL . . . . . 0.509 ' O ' HG23 ' A' 1109 ' ' ILE . 59.1 t -126.87 123.88 63.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.16 -178.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1094 ' ' ILE . . . . . 0.811 HG12 HG12 ' A' 1109 ' ' ILE . 22.7 mt -118.52 137.42 52.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -176.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1095 ' ' ILE . . . . . 0.542 HG12 ' HB2' ' A' 1110 ' ' GLU . 38.7 mm -92.19 121.9 43.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 174.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1096 ' ' VAL . . . . . 0.576 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 38.9 t -83.45 117.17 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.817 0.341 . . . . 0.0 110.512 -176.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1097 ' ' THR . . . . . 0.612 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 17.9 p -104.21 -17.94 14.68 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.305 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -163.37 -172.88 31.4 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.325 -0.94 . . . . 0.0 113.109 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1099 ' ' GLU . . . . . 0.581 ' HG3' ' CD1' ' A' 1105 ' ' TRP . 21.6 tt0 -153.6 138.47 17.13 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -177.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -119.56 -40.11 2.81 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 177.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1101 ' ' ASP . . . . . 0.71 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 33.1 t70 -130.81 168.36 17.36 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.803 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -58.73 -38.42 78.32 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-O 121.44 0.638 . . . . 0.0 109.999 176.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1103 ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' 1120 ' ' PRO . 53.7 tt0 -109.77 9.44 24.79 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.845 -171.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1104 ' ' TRP . . . . . 0.71 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 79.0 m95 -140.67 107.22 5.31 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.486 -178.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1105 ' ' TRP . . . . . 0.581 ' CD1' ' HG3' ' A' 1099 ' ' GLU . 44.0 m0 -111.0 161.86 15.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.505 -178.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1106 ' ' ILE . . . . . 0.499 HG12 HG22 ' A' 1118 ' ' VAL . 45.7 mt -116.22 139.26 43.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.96 -174.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1107 ' ' GLY . . . . . 0.612 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -179.64 -165.87 34.39 Favored Glycine 0 N--CA 1.44 -1.056 0 C-N-CA 119.98 -1.105 . . . . 0.0 112.733 175.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1108 ' ' HIS . . . . . 0.625 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 14.6 p-80 -138.18 141.25 40.05 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1109 ' ' ILE . . . . . 0.811 HG12 HG12 ' A' 1094 ' ' ILE . 12.2 mt -66.93 132.65 32.17 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.122 -172.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . 0.542 ' HB2' HG12 ' A' 1095 ' ' ILE . 2.0 tm-20 -72.33 110.94 7.11 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.703 -1.135 . . . . 0.0 109.305 -174.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 112.16 -10.71 26.83 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.986 -0.626 . . . . 0.0 111.599 -177.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 49.2 tp60 -151.92 84.83 4.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -63.04 -20.85 72.43 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 123.368 2.712 . . . . 0.0 113.379 -173.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.06 -13.48 61.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.885 0.374 . . . . 0.0 111.401 178.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1115 ' ' ARG . . . . . 0.46 ' HB2' ' HB ' ' A' 1109 ' ' ILE . 86.0 mtt180 -96.53 88.63 4.74 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 176.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1116 ' ' LYS . . . . . 0.625 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 0.0 OUTLIER -131.47 150.47 52.14 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.224 177.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 166.35 -164.3 37.51 Favored Glycine 0 N--CA 1.44 -1.076 0 N-CA-C 110.681 -0.968 . . . . 0.0 110.681 -178.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1118 ' ' VAL . . . . . 0.499 HG22 HG12 ' A' 1106 ' ' ILE . 7.0 t -103.71 120.34 53.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 176.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1119 ' ' PHE . . . . . . . . . . . . . 11.6 p90 -110.21 135.18 20.59 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.743 -177.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1120 ' ' PRO . . . . . 0.433 ' HA ' ' O ' ' A' 1103 ' ' GLU . 31.1 Cg_endo -69.06 126.38 13.7 Favored 'Trans proline' 0 N--CA 1.459 -0.5 0 C-N-CA 122.62 2.213 . . . . 0.0 111.8 175.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1121 ' ' VAL . . . . . 0.58 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 59.2 t -64.45 -16.64 19.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.45 0.643 . . . . 0.0 109.698 177.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1122 ' ' SER . . . . . 0.607 ' HB2' ' HD1' ' A' 1123 ' ' PHE . 0.9 OUTLIER -58.65 -30.67 67.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.787 178.06 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1123 ' ' PHE . . . . . 0.655 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.4 OUTLIER -109.16 6.83 25.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.981 -173.595 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.58 ' CG2' ' HA ' ' A' 1121 ' ' VAL . 17.4 m -134.78 177.11 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 121.165 0.507 . . . . 0.0 112.076 -177.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1125 ' ' HIS . . . . . 0.4 ' CE1' HD13 ' A' 1075 ' ' ILE . 0.0 OUTLIER -139.56 147.7 41.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.26 177.584 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 1126 ' ' ILE . . . . . 0.568 ' HA ' HG12 ' A' 1072 ' ' VAL . 2.3 mp -86.76 124.62 40.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.112 0.482 . . . . 0.0 110.828 -177.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 10.6 mp -113.43 -57.29 2.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.761 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 15.2 m 53.92 44.18 29.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.803 0.811 . . . . 0.0 109.265 -172.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 26.4 t70 . . . . . 0 C--O 1.246 0.875 0 CA-C-N 114.641 -1.163 . . . . 0.0 109.488 -177.647 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 33.6 m . . . . . 0 N--CA 1.478 0.939 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B 1579 ' ' ILE . . . . . 0.56 HG12 ' HG3' ' A' 1090 ' ' GLU . 19.1 mt -61.71 131.1 26.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.103 0.477 . . . . 0.0 110.603 177.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1580 ' ' ILE . . . . . 0.494 HD13 ' HB ' ' A' 1075 ' ' ILE . 1.7 mp -87.51 120.46 36.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 173.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 24.7 m 54.16 -156.48 0.21 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 169.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -91.86 159.29 15.86 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.312 169.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1583 ' ' MET . . . . . 0.659 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 2.1 ttm -54.25 138.06 58.07 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -173.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1584 ' ' PRO . . . . . 0.805 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 68.2 Cg_endo -87.59 -175.53 1.51 Allowed 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 123.49 2.793 . . . . 0.0 110.049 177.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 85.2 m -110.59 136.88 49.02 Favored 'General case' 0 C--N 1.305 -1.339 0 C-N-CA 120.509 -0.477 . . . . 0.0 109.873 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1586 ' ' LYS . . . . . 0.449 ' C ' ' H ' ' B' 1588 ' ' SER . 16.3 ttmt -65.11 95.87 0.19 Allowed 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 169.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 5.1 m -74.54 25.98 0.08 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.283 -168.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B 1588 ' ' SER . . . . . 0.449 ' H ' ' C ' ' B' 1586 ' ' LYS . 27.4 m 62.16 141.16 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.855 0.836 . . . . 0.0 111.716 -178.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1589 ' ' ARG . . . . . 0.513 HH21 ' CD ' ' A' 1085 ' ' GLU . 7.2 ttp85 -85.01 103.4 14.01 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 173.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1590 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.34 25.66 0.06 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.154 0.502 . . . . 0.0 112.26 -172.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B 1591 ' ' ALA . . . . . 0.444 ' H ' ' C ' ' B' 1589 ' ' ARG . . . . . . . . 0 C--N 1.321 -0.653 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 172.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1070 ' ' ARG . . . . . 0.7 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 8.5 ttm180 . . . . . 0 C--O 1.221 -0.415 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 44.1 ttt180 -105.93 127.21 52.99 Favored 'General case' 0 C--N 1.313 -1.01 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.122 -169.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1072 ' ' VAL . . . . . 0.574 HG12 ' HA ' ' A' 1126 ' ' ILE . 25.2 m -125.41 155.9 34.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.689 0.281 . . . . 0.0 110.44 177.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1073 ' ' LYS . . . . . 0.46 ' HD2' ' N ' ' A' 1074 ' ' THR . 0.4 OUTLIER -123.54 133.34 54.01 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.027 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1074 ' ' THR . . . . . 0.634 ' HA ' HG12 ' A' 1124 ' ' VAL . 59.8 p -72.5 118.48 15.46 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.049 0.452 . . . . 0.0 110.569 -177.125 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1075 ' ' ILE . . . . . 0.655 HG13 ' CD2' ' A' 1076 ' ' TYR . 21.2 pt -98.71 -5.93 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.645 0.736 . . . . 0.0 109.835 -178.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1076 ' ' TYR . . . . . 0.807 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 98.7 m-85 -138.98 177.97 7.5 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.196 -1.365 . . . . 0.0 109.605 176.316 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1077 ' ' ASP . . . . . 0.427 ' O ' ' HE1' ' B' 1583 ' ' MET . 7.4 p-10 -113.51 130.56 56.32 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.173 172.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1078 ' ' CYS . . . . . 0.773 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 42.0 t -136.49 142.0 43.52 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.89 -177.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1079 ' ' GLN . . . . . 0.641 ' HA ' HG23 ' A' 1087 ' ' THR . 54.6 mt-30 -109.59 173.23 6.42 Favored 'General case' 0 C--N 1.311 -1.097 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.558 178.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1080 ' ' ALA . . . . . 0.474 ' HA ' ' HG2' ' A' 1085 ' ' GLU . . . -44.16 134.75 4.69 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.254 -1.339 . . . . 0.0 113.722 -179.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 12.0 t0 -99.35 -34.02 10.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.852 173.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -138.38 -169.21 2.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.55 -178.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -71.6 -20.53 61.98 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.639 0.733 . . . . 0.0 109.667 170.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 9.5 t70 -116.55 93.68 4.31 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.979 -1.009 . . . . 0.0 109.759 -178.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . 0.474 ' HG2' ' HA ' ' A' 1080 ' ' ALA . 0.0 OUTLIER -153.19 -166.81 2.53 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.247 0.546 . . . . 0.0 111.861 -179.173 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' 1116 ' ' LYS . 6.8 tt -141.87 106.14 4.8 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.166 -0.925 . . . . 0.0 109.207 170.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . 0.641 HG23 ' HA ' ' A' 1079 ' ' GLN . 54.4 m -77.49 135.17 38.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.332 177.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1088 ' ' PHE . . . . . 0.615 ' HZ ' ' HB2' ' A' 1123 ' ' PHE . 11.1 p90 -147.76 160.77 42.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.237 0.542 . . . . 0.0 111.734 -175.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1089 ' ' ILE . . . . . 0.473 HD12 ' HG2' ' A' 1092 ' ' GLU . 1.8 pp -126.22 158.92 35.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.129 177.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -57.14 124.82 20.12 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.598 0.561 . . . . 0.0 110.17 -178.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 114.17 -6.45 23.38 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.42 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1092 ' ' GLU . . . . . 0.473 ' HG2' HD12 ' A' 1089 ' ' ILE . 19.1 mm-40 -83.98 159.4 21.24 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.052 0.453 . . . . 0.0 111.549 176.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1093 ' ' VAL . . . . . 0.435 HG22 ' HG2' ' A' 1073 ' ' LYS . 58.1 t -125.68 127.06 71.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 179.095 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1094 ' ' ILE . . . . . 0.572 HG12 HD13 ' A' 1109 ' ' ILE . 24.8 mt -115.33 129.76 71.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-O 121.279 0.562 . . . . 0.0 110.951 -174.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 51.3 mm -89.58 101.99 12.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 173.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1096 ' ' VAL . . . . . 0.753 HG22 ' HZ ' ' A' 1119 ' ' PHE . 61.6 t -70.89 121.62 21.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.511 -178.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 7.8 p -104.33 -19.17 14.17 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.095 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -163.34 -176.71 35.61 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.872 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -139.87 148.39 42.0 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1100 ' ' GLU . . . . . 0.484 ' CD ' HH21 ' B' 1589 ' ' ARG . 31.2 tt0 -123.99 -38.46 2.47 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.365 -0.534 . . . . 0.0 109.697 176.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1101 ' ' ASP . . . . . . . . . . . . . 31.3 t70 -139.05 175.15 9.8 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 174.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -58.27 -48.29 80.93 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.27 0.557 . . . . 0.0 110.082 176.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1103 ' ' GLU . . . . . 0.573 ' O ' ' HA ' ' A' 1120 ' ' PRO . 30.4 tt0 -98.33 6.68 47.11 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.389 -171.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1104 ' ' TRP . . . . . 0.648 ' CD1' ' HA ' ' B' 1589 ' ' ARG . 87.4 m95 -139.79 105.19 5.06 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.45 0.643 . . . . 0.0 111.022 -178.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 44.8 m0 -107.03 167.95 9.54 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.502 -178.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 48.4 mt -119.03 135.15 60.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.194 -175.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -177.13 -161.36 25.61 Favored Glycine 0 N--CA 1.441 -1.009 0 C-N-CA 120.313 -0.946 . . . . 0.0 112.4 178.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1108 ' ' HIS . . . . . 0.503 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 8.5 p-80 -147.81 149.87 33.14 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.639 0.257 . . . . 0.0 110.572 -178.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1109 ' ' ILE . . . . . 0.572 HD13 HG12 ' A' 1094 ' ' ILE . 32.2 mm -60.62 136.19 24.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.461 178.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -62.02 -47.18 85.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.072 -177.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -90.64 8.86 79.16 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.581 -0.818 . . . . 0.0 112.752 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1112 ' ' GLN . . . . . 0.472 ' O ' ' HB ' ' A' 1109 ' ' ILE . 48.6 tp60 -161.63 78.94 2.12 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -178.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -66.69 -16.71 51.27 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 123.17 2.58 . . . . 0.0 112.884 -174.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -72.06 -26.69 62.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.088 0.47 . . . . 0.0 109.751 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 74.7 mtt-85 -82.36 93.84 7.26 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 170.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1116 ' ' LYS . . . . . 0.503 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 23.4 pttm -138.16 147.66 44.11 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.113 -176.11 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1117 ' ' GLY . . . . . 0.446 ' HA3' ' O ' ' A' 1085 ' ' GLU . . . 162.55 -147.38 13.31 Favored Glycine 0 N--CA 1.443 -0.894 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.067 -177.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1118 ' ' VAL . . . . . 0.485 HG21 ' CZ ' ' B' 1589 ' ' ARG . 2.1 t -112.52 129.14 68.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 110.541 -0.17 . . . . 0.0 110.541 -175.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1119 ' ' PHE . . . . . 0.753 ' HZ ' HG22 ' A' 1096 ' ' VAL . 23.6 p90 -128.14 146.5 59.64 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.614 -175.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1120 ' ' PRO . . . . . 0.573 ' HA ' ' O ' ' A' 1103 ' ' GLU . 73.7 Cg_endo -78.7 126.26 7.25 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.228 2.619 . . . . 0.0 112.565 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1121 ' ' VAL . . . . . 0.582 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 83.9 t -65.94 -19.56 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.8 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 45.4 m -61.57 -25.78 67.54 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 177.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1123 ' ' PHE . . . . . 0.773 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.6 OUTLIER -107.88 0.77 22.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.403 0.62 . . . . 0.0 110.753 -174.455 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.634 HG12 ' HA ' ' A' 1074 ' ' THR . 14.9 m -127.61 169.89 18.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.248 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 33.2 t60 -134.45 141.02 46.65 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1126 ' ' ILE . . . . . 0.574 ' HA ' HG12 ' A' 1072 ' ' VAL . 2.0 mp -82.29 124.74 39.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.105 0.478 . . . . 0.0 110.831 -176.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 9.1 mp -105.85 -53.34 2.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.814 176.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 49.1 m 53.68 47.67 23.26 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.78 0.8 . . . . 0.0 109.422 -173.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 30.9 t70 . . . . . 0 C--O 1.251 1.136 0 CA-C-N 114.729 -1.123 . . . . 0.0 109.759 -176.322 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 73.8 m . . . . . 0 N--CA 1.476 0.851 0 CA-C-O 120.684 0.278 . . . . 0.0 110.729 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 35.9 mt -71.77 120.5 20.13 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-O 121.189 0.519 . . . . 0.0 110.008 176.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1580 ' ' ILE . . . . . 0.474 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.6 mp -65.91 113.67 2.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.372 176.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 49.9 m 58.16 -151.87 0.41 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.789 0.328 . . . . 0.0 111.086 176.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -92.63 153.67 18.85 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 170.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1583 ' ' MET . . . . . 0.549 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 4.6 ttm -59.69 134.46 89.31 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -176.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1584 ' ' PRO . . . . . 0.807 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 95.2 Cg_endo -84.08 -175.53 2.25 Favored 'Trans proline' 0 N--CA 1.445 -1.35 0 C-N-CA 123.226 2.618 . . . . 0.0 109.598 176.052 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 14.8 t -113.6 139.71 48.79 Favored 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 119.432 -0.907 . . . . 0.0 109.39 -178.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1586 ' ' LYS . . . . . 0.488 ' HE3' ' HB3' ' B' 1586 ' ' LYS . 3.8 tmmt? -67.28 99.53 0.72 Allowed 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 174.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 5.4 m -71.39 14.89 0.15 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.723 -167.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B 1588 ' ' SER . . . . . 0.434 ' H ' ' C ' ' B' 1586 ' ' LYS . 51.1 m 67.72 127.76 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.744 0.783 . . . . 0.0 110.751 -176.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1589 ' ' ARG . . . . . 0.648 ' HA ' ' CD1' ' A' 1104 ' ' TRP . 37.5 ttt180 -60.68 122.06 13.8 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.649 177.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B 1590 ' ' LYS . . . . . 0.507 ' HD2' ' N ' ' B' 1590 ' ' LYS . 0.4 OUTLIER -71.51 -5.83 36.01 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.177 0.513 . . . . 0.0 111.205 -173.368 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.384 174.11 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 1070 ' ' ARG . . . . . 0.44 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 42.3 ttm180 . . . . . 0 C--O 1.22 -0.469 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1071 ' ' ARG . . . . . 0.49 ' HG3' HD13 ' A' 1095 ' ' ILE . 3.1 ttm180 -84.98 135.56 33.98 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.526 -0.469 . . . . 0.0 110.747 -178.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1072 ' ' VAL . . . . . 0.576 HG12 ' HA ' ' A' 1126 ' ' ILE . 33.8 m -129.98 153.82 39.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.108 176.164 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1073 ' ' LYS . . . . . 0.526 ' HG2' HG22 ' A' 1093 ' ' VAL . 0.1 OUTLIER -120.67 135.95 54.98 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 -179.283 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1074 ' ' THR . . . . . 0.561 ' HA ' HG12 ' A' 1124 ' ' VAL . 72.5 p -78.38 126.56 30.95 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.321 0.581 . . . . 0.0 111.113 -175.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1075 ' ' ILE . . . . . 0.694 HD12 ' HB ' ' B' 1580 ' ' ILE . 15.8 pt -103.36 -3.7 9.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.997 179.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1076 ' ' TYR . . . . . 0.69 ' HB2' ' HB3' ' A' 1123 ' ' PHE . 31.2 m-85 -144.92 172.52 12.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.84 -179.381 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1077 ' ' ASP . . . . . 0.544 ' HA ' ' HA ' ' A' 1089 ' ' ILE . 10.1 p-10 -110.05 111.24 22.49 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 114.806 -1.088 . . . . 0.0 108.805 175.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1078 ' ' CYS . . . . . 0.695 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 51.5 t -119.89 143.29 48.03 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.512 -177.404 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1079 ' ' GLN . . . . . 0.563 ' HA ' HG23 ' A' 1087 ' ' THR . 49.3 mt-30 -121.47 142.11 50.36 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-O 121.329 0.585 . . . . 0.0 111.283 -178.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1080 ' ' ALA . . . . . 0.659 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -87.54 149.24 24.48 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.849 -173.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -95.58 -36.07 11.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.553 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 11.0 m120 -108.34 153.01 23.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.163 177.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 34.5 t70 -63.31 -25.39 68.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.296 -0.866 . . . . 0.0 112.297 -174.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -87.82 -2.53 58.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.861 0.363 . . . . 0.0 111.689 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . 0.659 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 59.1 mt-10 -97.85 159.14 15.12 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . 0.687 ' HB3' ' HB3' ' A' 1119 ' ' PHE . 9.3 tp -96.96 129.75 44.37 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.102 0.477 . . . . 0.0 112.205 -171.165 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . 0.563 HG23 ' HA ' ' A' 1079 ' ' GLN . 96.2 m -100.98 128.11 47.16 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 169.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1088 ' ' PHE . . . . . 0.727 ' HE2' ' HD2' ' A' 1120 ' ' PRO . 34.4 p90 -146.45 158.57 43.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.895 0.379 . . . . 0.0 111.082 -175.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1089 ' ' ILE . . . . . 0.544 ' HA ' ' HA ' ' A' 1077 ' ' ASP . 1.8 pp -125.43 155.84 34.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.713 -179.286 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1090 ' ' GLU . . . . . 0.423 ' HG2' ' C ' ' A' 1075 ' ' ILE . 6.6 tm-20 -55.78 128.45 34.96 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 123.515 0.509 . . . . 0.0 110.585 -178.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 105.13 -5.65 42.2 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.571 -0.823 . . . . 0.0 111.661 -178.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1092 ' ' GLU . . . . . 0.505 ' HB2' HD12 ' A' 1089 ' ' ILE . 4.0 tp10 -84.96 160.56 20.05 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.641 -0.504 . . . . 0.0 109.641 177.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1093 ' ' VAL . . . . . 0.526 HG22 ' HG2' ' A' 1073 ' ' LYS . 59.8 t -129.43 131.4 67.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -178.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1094 ' ' ILE . . . . . 0.431 HG21 ' CE1' ' A' 1119 ' ' PHE . 14.9 mt -120.51 135.78 59.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.997 0.427 . . . . 0.0 110.961 -175.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1095 ' ' ILE . . . . . 0.515 HG12 ' HG2' ' A' 1110 ' ' GLU . 32.4 mm -93.03 109.61 21.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.307 172.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1096 ' ' VAL . . . . . 0.739 HG22 ' HZ ' ' A' 1119 ' ' PHE . 93.7 t -73.88 113.09 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.063 0.459 . . . . 0.0 110.334 178.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 21.3 p -100.5 -12.13 19.56 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.774 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -172.45 178.51 44.53 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.236 179.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -133.46 144.81 49.71 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1100 ' ' GLU . . . . . 0.547 ' OE1' ' HD2' ' B' 1589 ' ' ARG . 42.0 tt0 -121.51 -47.75 2.21 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.482 0.658 . . . . 0.0 109.356 178.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1101 ' ' ASP . . . . . 0.825 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 26.5 t70 -116.12 179.41 4.0 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 174.221 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -73.4 -35.47 65.87 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 175.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -113.53 12.5 18.6 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.446 -175.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1104 ' ' TRP . . . . . 0.825 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 70.7 m95 -137.84 107.45 6.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.37 176.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 45.3 m0 -111.08 169.27 8.88 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.712 -175.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1106 ' ' ILE . . . . . 0.457 HG12 HG22 ' A' 1118 ' ' VAL . 33.3 mt -118.01 136.08 56.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.108 -174.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -179.0 -161.36 26.49 Favored Glycine 0 N--CA 1.441 -1.031 0 C-N-CA 119.817 -1.182 . . . . 0.0 112.799 177.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1108 ' ' HIS . . . . . 0.543 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 17.8 p-80 -148.19 151.27 35.24 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.564 -0.318 . . . . 0.0 110.167 -177.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1109 ' ' ILE . . . . . 0.471 HD12 ' HG3' ' A' 1092 ' ' GLU . 39.5 mm -62.92 134.3 28.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.089 -177.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . 0.515 ' HG2' HG12 ' A' 1095 ' ' ILE . 0.0 OUTLIER -66.03 103.15 0.9 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.371 -178.682 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 106.37 -5.88 38.66 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.338 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -140.38 79.4 20.97 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-O 121.036 0.446 . . . . 0.0 109.904 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -70.31 3.52 2.99 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.55 2.833 . . . . 0.0 113.28 -175.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -83.81 -27.17 28.98 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.265 0.555 . . . . 0.0 109.749 174.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -94.08 89.62 6.09 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.405 178.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1116 ' ' LYS . . . . . 0.543 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 0.0 OUTLIER -131.32 157.66 42.74 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.984 176.835 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 154.38 -162.67 30.76 Favored Glycine 0 N--CA 1.444 -0.812 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.88 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1118 ' ' VAL . . . . . 0.457 HG22 HG12 ' A' 1106 ' ' ILE . 8.3 t -101.18 122.72 53.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.908 0.385 . . . . 0.0 110.548 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1119 ' ' PHE . . . . . 0.739 ' HZ ' HG22 ' A' 1096 ' ' VAL . 23.9 p90 -117.84 145.65 37.12 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.988 -176.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1120 ' ' PRO . . . . . 0.727 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 62.3 Cg_endo -76.6 124.65 7.74 Favored 'Trans proline' 0 C--O 1.237 0.467 0 C-N-CA 122.965 2.443 . . . . 0.0 112.968 178.381 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1121 ' ' VAL . . . . . 0.606 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 57.3 t -64.56 -16.16 18.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.429 178.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1122 ' ' SER . . . . . 0.633 ' HB2' ' CD1' ' A' 1123 ' ' PHE . 0.7 OUTLIER -59.71 -34.15 72.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.106 -179.409 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1123 ' ' PHE . . . . . 0.695 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.1 OUTLIER -107.27 5.84 27.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.046 0.451 . . . . 0.0 110.219 -173.316 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.606 ' CG2' ' HA ' ' A' 1121 ' ' VAL . 16.3 m -127.48 167.47 22.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.906 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 3.1 t60 -131.71 138.18 48.56 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 -178.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1126 ' ' ILE . . . . . 0.576 ' HA ' HG12 ' A' 1072 ' ' VAL . 1.9 mp -83.77 128.5 38.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.044 0.45 . . . . 0.0 111.907 -173.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 9.4 mp -109.03 -47.19 3.47 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 173.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 1128 ' ' SER . . . . . 0.426 ' CB ' ' HG3' ' A' 1070 ' ' ARG . 5.4 t 58.43 57.17 3.98 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.311 176.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 38.9 t70 . . . . . 0 C--O 1.248 1.015 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.598 174.94 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 72.6 m . . . . . 0 N--CA 1.477 0.898 0 CA-C-O 120.831 0.348 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 34.4 mt -90.58 122.81 42.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.49 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1580 ' ' ILE . . . . . 0.694 ' HB ' HD12 ' A' 1075 ' ' ILE . 1.6 mp -94.49 102.41 13.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.029 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1581 ' ' SER . . . . . 0.446 ' HB2' ' O ' ' B' 1580 ' ' ILE . 44.5 m 75.23 -139.55 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.542 -176.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -119.48 164.38 15.86 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 171.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1583 ' ' MET . . . . . 0.533 ' HA ' ' CE1' ' A' 1076 ' ' TYR . 18.7 ttm -41.17 119.77 1.82 Allowed Pre-proline 0 N--CA 1.467 0.393 0 O-C-N 123.919 0.762 . . . . 0.0 112.312 -171.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1584 ' ' PRO . . . . . 0.474 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 2.9 Cg_exo -73.64 -176.87 2.75 Favored 'Trans proline' 0 N--CA 1.448 -1.159 0 C-N-CA 122.667 2.245 . . . . 0.0 110.606 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 32.0 m -109.77 134.34 52.12 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1586 ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -59.94 108.59 0.79 Allowed 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 172.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 3.7 p -66.03 -1.46 3.12 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.43 -0.805 . . . . 0.0 113.055 -169.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1588 ' ' SER . . . . . . . . . . . . . 20.3 m 61.6 99.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.475 0.655 . . . . 0.0 110.194 -176.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B 1589 ' ' ARG . . . . . 0.547 ' HD2' ' OE1' ' A' 1100 ' ' GLU . 17.3 ttp85 -50.12 124.01 9.41 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.891 -1.049 . . . . 0.0 111.206 -177.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1590 ' ' LYS . . . . . 0.572 ' HD2' ' N ' ' B' 1590 ' ' LYS . 3.4 mptp? -76.77 -2.97 35.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.581 0.705 . . . . 0.0 110.335 -175.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.737 171.025 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 . . . . . 0 N--CA 1.45 -0.446 0 CA-C-O 121.587 0.708 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 1071 ' ' ARG . . . . . 0.427 ' HG3' HD13 ' A' 1095 ' ' ILE . 22.3 ttm180 -129.3 149.23 51.18 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.751 -177.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1072 ' ' VAL . . . . . 0.61 HG12 ' HA ' ' A' 1126 ' ' ILE . 34.3 m -124.88 147.0 29.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.131 0.491 . . . . 0.0 110.339 175.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1073 ' ' LYS . . . . . 0.742 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.2 OUTLIER -111.62 131.14 55.48 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 175.738 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1074 ' ' THR . . . . . 0.57 ' HA ' HG12 ' A' 1124 ' ' VAL . 58.9 p -72.97 114.44 11.12 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.353 0.597 . . . . 0.0 110.25 -177.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1075 ' ' ILE . . . . . 0.548 HD12 ' HB ' ' B' 1580 ' ' ILE . 8.4 pt -93.86 -0.8 10.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-O 121.665 0.745 . . . . 0.0 109.567 179.267 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1076 ' ' TYR . . . . . 0.705 ' HB2' ' HB3' ' A' 1123 ' ' PHE . 31.4 m-85 -145.09 177.94 8.41 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.129 -1.396 . . . . 0.0 111.186 178.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -118.9 124.83 48.06 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 176.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1078 ' ' CYS . . . . . 0.505 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 42.0 t -131.8 144.79 51.18 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.772 -173.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1079 ' ' GLN . . . . . 0.538 ' HA ' HG23 ' A' 1087 ' ' THR . 25.9 tm0? -126.23 138.31 53.61 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.713 0.768 . . . . 0.0 111.418 -176.163 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1080 ' ' ALA . . . . . 0.461 ' HA ' ' HB3' ' A' 1085 ' ' GLU . . . -56.73 139.62 50.08 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 113.653 -1.612 . . . . 0.0 114.436 -173.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -76.49 -55.33 5.64 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.011 169.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -119.66 -170.79 2.01 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.04 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -67.0 -26.28 66.72 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.92 0.39 . . . . 0.0 111.821 -175.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -92.33 4.51 53.22 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -172.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . 0.461 ' HB3' ' HA ' ' A' 1080 ' ' ALA . 4.8 mp0 -91.45 151.96 20.58 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 172.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . 0.702 ' HB3' ' HB3' ' A' 1119 ' ' PHE . 11.4 tp -96.96 118.12 32.66 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.181 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . 0.538 HG23 ' HA ' ' A' 1079 ' ' GLN . 56.5 m -88.31 116.18 26.33 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 172.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1088 ' ' PHE . . . . . 0.645 ' HE2' ' HB2' ' A' 1119 ' ' PHE . 15.8 p90 -130.96 158.73 39.47 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.126 -178.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1089 ' ' ILE . . . . . 0.6 HD12 ' HB2' ' A' 1092 ' ' GLU . 1.6 pp -123.2 150.32 27.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.843 -179.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -56.95 119.18 5.83 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.969 -175.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 116.02 -6.89 19.44 Favored Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 111.374 -0.69 . . . . 0.0 111.374 -177.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1092 ' ' GLU . . . . . 0.6 ' HB2' HD12 ' A' 1089 ' ' ILE . 5.2 tp10 -82.73 161.73 21.98 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.368 0.604 . . . . 0.0 111.029 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 71.3 t -126.79 118.3 50.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.123 -175.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1094 ' ' ILE . . . . . 0.549 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 19.7 mt -113.92 131.42 65.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.69 -176.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1095 ' ' ILE . . . . . 0.427 HD13 ' HG3' ' A' 1071 ' ' ARG . 43.8 mm -92.09 122.13 43.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 174.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 29.3 t -81.89 114.87 23.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.918 0.39 . . . . 0.0 110.829 -174.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1097 ' ' THR . . . . . 0.505 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 19.0 p -103.06 -15.04 16.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.664 -177.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -167.97 -172.36 34.89 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.52 -0.848 . . . . 0.0 112.747 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -144.31 138.33 27.82 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 -179.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1100 ' ' GLU . . . . . 0.762 ' HG2' ' HE ' ' B' 1589 ' ' ARG . 5.9 tp10 -114.39 -39.17 3.89 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.779 0.799 . . . . 0.0 109.141 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1101 ' ' ASP . . . . . 0.688 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 6.8 t70 -138.69 173.6 11.41 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.889 -1.05 . . . . 0.0 108.353 -177.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -65.61 -35.07 79.73 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.878 0.847 . . . . 0.0 109.145 177.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -112.86 12.06 19.37 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 114.22 -1.354 . . . . 0.0 110.44 -174.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1104 ' ' TRP . . . . . 0.688 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 83.5 m95 -139.85 104.16 4.82 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.407 -178.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 44.8 m0 -108.44 165.56 11.43 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.072 0.463 . . . . 0.0 110.311 -177.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1106 ' ' ILE . . . . . 0.663 HG12 HG22 ' A' 1118 ' ' VAL . 63.9 mt -115.41 134.12 59.56 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.005 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.319 -175.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1107 ' ' GLY . . . . . 0.505 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -171.68 -163.18 25.19 Favored Glycine 0 N--CA 1.437 -1.291 0 C-N-CA 119.956 -1.116 . . . . 0.0 112.5 178.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1108 ' ' HIS . . . . . 0.533 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 9.5 p-80 -149.16 150.82 33.29 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -178.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1109 ' ' ILE . . . . . 0.5 HG22 ' H ' ' A' 1111 ' ' GLY . 28.8 mm -63.31 137.58 24.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.748 178.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -67.66 -33.35 74.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.731 -178.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . 0.5 ' H ' HG22 ' A' 1109 ' ' ILE . . . -80.85 -38.11 17.18 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.59 -0.814 . . . . 0.0 111.981 177.094 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -117.67 85.95 22.74 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 178.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -62.9 -26.68 74.46 Favored 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 123.091 2.528 . . . . 0.0 114.017 -172.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1114 ' ' GLU . . . . . 0.42 ' H ' ' HG3' ' A' 1114 ' ' GLU . 0.0 OUTLIER -89.54 -2.54 58.38 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.172 0.51 . . . . 0.0 111.024 -178.7 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1115 ' ' ARG . . . . . 0.445 HH11 ' HD3' ' A' 1115 ' ' ARG . 57.6 mtt-85 -90.12 92.98 9.19 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 170.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1116 ' ' LYS . . . . . 0.533 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 7.4 ptmm? -137.69 160.98 37.72 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.166 -1.379 . . . . 0.0 110.956 -167.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 155.9 -161.88 30.95 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 121.045 -0.598 . . . . 0.0 111.9 -177.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1118 ' ' VAL . . . . . 0.663 HG22 HG12 ' A' 1106 ' ' ILE . 10.6 t -104.48 123.13 58.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.129 0.49 . . . . 0.0 110.464 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1119 ' ' PHE . . . . . 0.702 ' HB3' ' HB3' ' A' 1086 ' ' LEU . 24.1 p90 -117.2 146.94 39.33 Favored Pre-proline 0 C--N 1.318 -0.775 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.289 -177.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1120 ' ' PRO . . . . . 0.418 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 54.5 Cg_endo -77.21 126.63 8.65 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.38 2.053 . . . . 0.0 112.515 177.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1121 ' ' VAL . . . . . 0.545 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 91.2 t -64.01 -18.51 22.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.174 -178.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 16.3 m -64.15 -28.8 70.01 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -178.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1123 ' ' PHE . . . . . 0.705 ' HB3' ' HB2' ' A' 1076 ' ' TYR . 0.1 OUTLIER -104.54 -0.14 28.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.26 0.552 . . . . 0.0 109.851 -174.337 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.57 HG12 ' HA ' ' A' 1074 ' ' THR . 19.3 m -124.92 172.08 12.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.102 178.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1125 ' ' HIS . . . . . 0.443 ' HB2' HD13 ' A' 1075 ' ' ILE . 69.8 t60 -139.26 132.74 30.27 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1126 ' ' ILE . . . . . 0.61 ' HA ' HG12 ' A' 1072 ' ' VAL . 2.9 mp -73.86 131.91 34.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.847 -178.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1127 ' ' LEU . . . . . 0.742 HD11 ' HB2' ' A' 1073 ' ' LYS . 14.7 mt -103.48 67.65 0.92 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.302 -176.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 22.6 t -112.5 23.7 13.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.528 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 30.7 t70 . . . . . 0 C--O 1.246 0.912 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.339 179.124 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 66.9 m . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.826 0.346 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 58.7 mt -82.33 132.95 30.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.502 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1580 ' ' ILE . . . . . 0.548 ' HB ' HD12 ' A' 1075 ' ' ILE . 1.6 mp -98.17 101.24 11.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.951 0.405 . . . . 0.0 109.91 178.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 12.8 t 74.74 -140.99 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.794 -176.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -120.38 157.37 29.43 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 173.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1583 ' ' MET . . . . . 0.688 ' HA ' ' CE1' ' A' 1076 ' ' TYR . 30.1 ttm -41.1 118.58 1.67 Allowed Pre-proline 0 N--CA 1.469 0.479 0 O-C-N 123.857 0.723 . . . . 0.0 112.631 -168.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1584 ' ' PRO . . . . . 0.588 ' HD3' ' CZ ' ' A' 1076 ' ' TYR . 69.7 Cg_endo -73.08 -177.09 2.73 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 122.796 2.33 . . . . 0.0 110.228 179.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 1.4 m -110.26 122.29 47.29 Favored 'General case' 0 C--N 1.304 -1.39 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.004 -177.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1586 ' ' LYS . . . . . 0.47 ' HB3' ' HE2' ' B' 1586 ' ' LYS . 3.0 tmmm? -63.9 94.46 0.1 Allowed 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 171.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 16.2 m -72.65 21.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.293 -1.321 . . . . 0.0 112.963 -165.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B 1588 ' ' SER . . . . . 0.429 ' H ' ' C ' ' B' 1586 ' ' LYS . 27.0 m 65.2 156.31 0.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.797 0.808 . . . . 0.0 111.019 -175.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1589 ' ' ARG . . . . . 0.762 ' HE ' ' HG2' ' A' 1100 ' ' GLU . 18.8 ttt180 -105.42 117.74 34.79 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.76 -176.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B 1590 ' ' LYS . . . . . 0.668 ' H ' ' HE3' ' B' 1590 ' ' LYS . 0.0 OUTLIER -69.87 -35.69 74.87 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.416 0.627 . . . . 0.0 109.564 -176.697 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B 1591 ' ' ALA . . . . . 0.516 ' HB3' ' HG3' ' A' 1100 ' ' GLU . . . . . . . . 0 C--N 1.322 -0.612 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.354 174.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1070 ' ' ARG . . . . . 0.634 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 14.1 ttm180 . . . . . 0 C--O 1.222 -0.373 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1071 ' ' ARG . . . . . 0.401 ' HE ' HG11 ' A' 1093 ' ' VAL . 78.8 ttt180 -117.12 135.5 53.71 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 178.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1072 ' ' VAL . . . . . 0.716 HG12 ' HA ' ' A' 1126 ' ' ILE . 19.4 m -134.05 157.57 41.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.757 0.313 . . . . 0.0 110.446 178.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1073 ' ' LYS . . . . . 0.695 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.5 OUTLIER -126.11 137.28 53.59 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 177.9 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1074 ' ' THR . . . . . 0.553 ' HA ' HG12 ' A' 1124 ' ' VAL . 63.9 p -74.46 119.49 18.73 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.174 0.512 . . . . 0.0 110.875 -176.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1075 ' ' ILE . . . . . 0.538 HD12 ' HB ' ' B' 1580 ' ' ILE . 10.5 pt -97.35 -0.94 10.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.789 0.804 . . . . 0.0 109.511 177.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1076 ' ' TYR . . . . . 0.722 ' HB2' ' HB3' ' A' 1123 ' ' PHE . 33.8 m-85 -146.33 173.96 11.79 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.258 -1.337 . . . . 0.0 110.878 178.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1077 ' ' ASP . . . . . 0.527 ' HB2' HG22 ' A' 1089 ' ' ILE . 7.2 p-10 -111.35 127.96 55.82 Favored 'General case' 0 N--CA 1.441 -0.925 0 CA-C-N 115.274 -0.875 . . . . 0.0 108.976 173.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1078 ' ' CYS . . . . . 0.723 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 43.6 t -135.26 145.94 48.09 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.904 -178.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1079 ' ' GLN . . . . . 0.594 ' HA ' HG23 ' A' 1087 ' ' THR . 60.9 tt0 -120.02 159.65 24.33 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.874 178.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1080 ' ' ALA . . . . . 0.55 ' CB ' ' HG2' ' A' 1085 ' ' GLU . . . -25.28 138.27 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 115.684 1.735 . . . . 0.0 115.684 178.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1081 ' ' ASP . . . . . 0.547 ' HB2' ' HD3' ' B' 1586 ' ' LYS . 32.2 t0 -112.02 -19.12 12.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.479 -1.237 . . . . 0.0 109.558 173.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1082 ' ' ASN . . . . . 0.613 ' HB3' HH21 ' B' 1589 ' ' ARG . 10.1 t-20 -161.02 -168.92 2.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.212 -174.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 19.2 t70 -69.08 -41.0 78.11 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 118.073 0.397 . . . . 0.0 111.61 -175.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -107.11 89.17 2.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.627 0.727 . . . . 0.0 110.556 -178.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . 0.55 ' HG2' ' CB ' ' A' 1080 ' ' ALA . 0.0 OUTLIER -133.76 -166.53 1.8 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.393 -179.563 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . 0.471 HD12 ' CA ' ' A' 1116 ' ' LYS . 7.2 tt -144.58 106.27 4.28 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.227 171.088 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . 0.594 HG23 ' HA ' ' A' 1079 ' ' GLN . 69.9 m -79.81 131.71 35.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.144 178.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1088 ' ' PHE . . . . . 0.634 ' HE2' ' HB2' ' A' 1119 ' ' PHE . 10.9 p90 -141.28 162.14 36.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.995 0.426 . . . . 0.0 111.242 -176.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1089 ' ' ILE . . . . . 0.667 HD12 ' HG2' ' A' 1092 ' ' GLU . 1.8 pp -127.16 154.72 37.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.894 176.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -55.38 122.63 11.61 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 123.555 0.534 . . . . 0.0 111.03 -176.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 117.0 -10.54 15.29 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.642 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1092 ' ' GLU . . . . . 0.667 ' HG2' HD12 ' A' 1089 ' ' ILE . 44.0 mm-40 -81.18 157.86 25.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.042 0.449 . . . . 0.0 111.365 177.097 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1093 ' ' VAL . . . . . 0.401 HG11 ' HE ' ' A' 1071 ' ' ARG . 87.4 t -122.42 126.54 74.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.497 178.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1094 ' ' ILE . . . . . 0.643 HG12 HD13 ' A' 1109 ' ' ILE . 12.8 mt -116.76 130.67 71.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-O 120.929 0.395 . . . . 0.0 110.829 -175.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 50.0 mm -90.38 105.28 16.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.407 175.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1096 ' ' VAL . . . . . 0.634 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 50.7 t -69.83 113.94 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.208 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 11.5 p -103.93 -19.02 14.37 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.737 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -159.83 -170.3 24.23 Favored Glycine 0 N--CA 1.442 -0.951 0 C-N-CA 120.419 -0.896 . . . . 0.0 112.624 -177.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1099 ' ' GLU . . . . . 0.435 ' HA ' ' HA ' ' A' 1105 ' ' TRP . 25.9 tt0 -152.6 131.83 12.77 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -177.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1100 ' ' GLU . . . . . 0.412 ' HG2' ' CB ' ' B' 1591 ' ' ALA . 18.9 tt0 -106.93 -40.62 5.42 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.106 -0.638 . . . . 0.0 109.51 -175.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1101 ' ' ASP . . . . . 0.406 ' OD2' ' HB2' ' A' 1104 ' ' TRP . 2.0 p30 -146.4 179.95 7.17 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 168.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -54.2 -42.6 69.92 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -173.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1103 ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' 1120 ' ' PRO . 32.3 tt0 -112.73 11.79 19.51 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.361 0.601 . . . . 0.0 110.286 -170.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1104 ' ' TRP . . . . . 0.566 ' CD1' ' HA ' ' B' 1589 ' ' ARG . 73.9 m95 -139.02 106.63 5.59 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.78 179.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1105 ' ' TRP . . . . . 0.435 ' HA ' ' HA ' ' A' 1099 ' ' GLU . 46.3 m0 -108.11 167.38 10.04 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.907 -175.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 54.0 mt -115.94 134.54 58.94 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.936 -176.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1107 ' ' GLY . . . . . 0.418 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -174.1 -169.02 35.79 Favored Glycine 0 N--CA 1.438 -1.193 0 C-N-CA 120.129 -1.034 . . . . 0.0 112.249 178.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 17.4 p-80 -139.77 144.74 37.55 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.732 0.301 . . . . 0.0 110.441 -178.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1109 ' ' ILE . . . . . 0.694 HG22 ' H ' ' A' 1111 ' ' GLY . 40.1 mm -60.86 131.22 25.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.248 178.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -64.12 -25.15 67.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.646 -177.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . 0.694 ' H ' HG22 ' A' 1109 ' ' ILE . . . -101.65 5.6 54.42 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.865 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -156.22 92.16 2.58 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1113 ' ' PRO . . . . . 0.466 ' O ' ' HE3' ' A' 1116 ' ' LYS . 48.3 Cg_endo -66.87 -17.55 51.87 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 123.013 2.475 . . . . 0.0 113.475 -173.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1114 ' ' GLU . . . . . 0.552 ' HA ' ' HE3' ' A' 1116 ' ' LYS . 17.4 mt-10 -89.5 -17.47 28.57 Favored 'General case' 0 CA--C 1.509 -0.596 0 CA-C-O 120.998 0.427 . . . . 0.0 110.732 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -83.91 89.66 7.26 Favored 'General case' 0 N--CA 1.439 -1.009 0 C-N-CA 120.254 -0.578 . . . . 0.0 109.579 175.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1116 ' ' LYS . . . . . 0.552 ' HE3' ' HA ' ' A' 1114 ' ' GLU . 0.1 OUTLIER -126.81 172.38 10.43 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.745 176.723 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1117 ' ' GLY . . . . . 0.526 ' HA3' ' O ' ' A' 1085 ' ' GLU . . . 144.42 -159.49 27.75 Favored Glycine 0 N--CA 1.442 -0.963 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.732 179.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1118 ' ' VAL . . . . . 0.597 HG21 ' NH1' ' B' 1589 ' ' ARG . 2.1 t -103.51 127.07 57.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 120.851 0.358 . . . . 0.0 110.513 -177.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1119 ' ' PHE . . . . . 0.634 ' HB2' ' HE2' ' A' 1088 ' ' PHE . 23.4 p90 -124.33 142.83 41.21 Favored Pre-proline 0 C--N 1.319 -0.744 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.992 -177.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1120 ' ' PRO . . . . . 0.527 ' HG3' ' SG ' ' A' 1078 ' ' CYS . 55.7 Cg_endo -74.78 125.43 9.44 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.744 2.296 . . . . 0.0 112.594 -178.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1121 ' ' VAL . . . . . 0.552 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 75.9 t -64.28 -19.68 25.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.782 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1122 ' ' SER . . . . . 0.599 ' HB2' ' CD1' ' A' 1123 ' ' PHE . 1.2 m -59.83 -33.38 71.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.978 -179.458 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1123 ' ' PHE . . . . . 0.723 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.1 OUTLIER -104.69 4.57 32.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.839 0.352 . . . . 0.0 110.313 -172.408 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.553 HG12 ' HA ' ' A' 1074 ' ' THR . 16.4 m -128.54 157.3 41.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.885 0.374 . . . . 0.0 111.36 -178.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 52.7 t60 -117.48 129.75 56.01 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.158 0.504 . . . . 0.0 110.102 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1126 ' ' ILE . . . . . 0.716 ' HA ' HG12 ' A' 1072 ' ' VAL . 2.1 mp -75.02 128.29 36.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.485 -178.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1127 ' ' LEU . . . . . 0.695 HD11 ' HB2' ' A' 1073 ' ' LYS . 65.2 mt -110.92 62.89 0.61 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.739 -178.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 12.6 p -99.4 33.67 2.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.128 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 41.1 m-20 . . . . . 0 C--O 1.248 1.002 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.976 -179.47 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 74.7 m . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 120.985 0.422 . . . . 0.0 110.69 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B 1579 ' ' ILE . . . . . 0.471 HG23 ' CE1' ' A' 1076 ' ' TYR . 44.0 mm -84.05 113.96 23.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.481 178.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1580 ' ' ILE . . . . . 0.538 ' HB ' HD12 ' A' 1075 ' ' ILE . 1.6 mp -86.29 102.32 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.304 -179.084 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1581 ' ' SER . . . . . 0.45 ' HB2' ' O ' ' B' 1580 ' ' ILE . 49.6 m 75.03 -136.97 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.692 -174.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -124.42 156.94 36.29 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 172.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1583 ' ' MET . . . . . 0.648 ' HA ' ' CE1' ' A' 1076 ' ' TYR . 30.3 ttm -41.39 119.69 1.91 Allowed Pre-proline 0 CA--C 1.517 -0.305 0 O-C-N 124.044 0.84 . . . . 0.0 112.667 -168.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1584 ' ' PRO . . . . . 0.471 ' HD3' ' CZ ' ' A' 1076 ' ' TYR . 57.2 Cg_endo -71.91 171.92 15.63 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 122.522 2.148 . . . . 0.0 109.671 175.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 19.1 m -103.82 134.2 47.51 Favored 'General case' 0 C--N 1.306 -1.293 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.375 -175.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1586 ' ' LYS . . . . . 0.547 ' HD3' ' HB2' ' A' 1081 ' ' ASP . 35.6 ttmt -61.42 101.07 0.15 Allowed 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 172.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 16.3 p -73.65 6.32 3.22 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.858 -165.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1588 ' ' SER . . . . . . . . . . . . . 33.8 t 67.15 111.96 0.04 OUTLIER 'General case' 0 CA--C 1.516 -0.331 0 O-C-N 123.76 0.662 . . . . 0.0 109.488 -173.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B 1589 ' ' ARG . . . . . 0.613 HH21 ' HB3' ' A' 1082 ' ' ASN . 14.7 ttp180 -58.14 124.52 19.68 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.729 -178.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1590 ' ' LYS . . . . . 0.543 ' HD2' ' H ' ' B' 1590 ' ' LYS . 3.5 mptp? -71.31 -23.72 62.0 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.855 -173.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B 1591 ' ' ALA . . . . . 0.412 ' CB ' ' HG2' ' A' 1100 ' ' GLU . . . . . . . . 0 C--N 1.321 -0.643 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.149 178.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1070 ' ' ARG . . . . . 0.463 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 21.0 ttp180 . . . . . 0 N--CA 1.445 -0.694 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1071 ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' 1071 ' ' ARG . 46.2 ttt-85 -120.99 136.84 54.89 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.518 -172.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1072 ' ' VAL . . . . . 0.583 HG12 ' HA ' ' A' 1126 ' ' ILE . 34.9 m -130.78 152.65 37.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.903 0.382 . . . . 0.0 110.795 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1073 ' ' LYS . . . . . 0.983 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.1 OUTLIER -115.57 135.31 54.2 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 177.01 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1074 ' ' THR . . . . . 0.609 ' HA ' HG12 ' A' 1124 ' ' VAL . 51.2 p -74.66 111.51 9.93 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.491 0.662 . . . . 0.0 109.771 179.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1075 ' ' ILE . . . . . 0.685 HG13 ' CD2' ' A' 1076 ' ' TYR . 19.8 pt -96.21 -3.44 10.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.812 0.815 . . . . 0.0 109.943 -178.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1076 ' ' TYR . . . . . 0.703 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 98.6 m-85 -139.48 -179.13 5.72 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.123 -1.399 . . . . 0.0 109.848 176.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1077 ' ' ASP . . . . . 0.42 ' O ' ' HE1' ' B' 1583 ' ' MET . 4.5 p30 -116.27 135.3 54.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.829 174.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1078 ' ' CYS . . . . . 0.72 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 38.7 t -140.32 148.69 41.74 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.031 -176.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1079 ' ' GLN . . . . . 0.595 ' HA ' HG23 ' A' 1087 ' ' THR . 39.9 tt0 -127.25 143.37 51.26 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.745 0.783 . . . . 0.0 112.05 -178.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1080 ' ' ALA . . . . . 0.576 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -72.63 142.94 48.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.24 -1.345 . . . . 0.0 112.54 -174.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -91.2 -44.24 9.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.244 172.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 5.7 m120 -118.07 174.67 6.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.175 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.69 -30.12 68.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.788 0.328 . . . . 0.0 111.724 -176.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 33.7 t70 -75.84 -10.79 59.73 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.481 -173.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . 0.576 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 4.9 mm-40 -79.65 -175.54 4.88 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 178.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . 0.531 HD12 ' C ' ' A' 1116 ' ' LYS . 5.4 tt -136.61 111.55 8.89 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.978 0.418 . . . . 0.0 110.835 178.283 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . 0.595 HG23 ' HA ' ' A' 1079 ' ' GLN . 63.8 m -80.4 122.36 26.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.062 174.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1088 ' ' PHE . . . . . 0.756 ' HZ ' ' HB2' ' A' 1123 ' ' PHE . 5.7 p90 -135.46 153.14 51.86 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.32 178.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1089 ' ' ILE . . . . . 0.654 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -117.37 158.63 17.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 174.769 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -55.64 123.38 13.88 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 123.559 0.537 . . . . 0.0 110.491 -177.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 117.35 -9.42 15.15 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.687 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -81.89 153.23 26.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.117 0.484 . . . . 0.0 110.91 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1093 ' ' VAL . . . . . 0.526 HG22 ' HG2' ' A' 1073 ' ' LYS . 63.2 t -119.42 127.17 75.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.551 176.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1094 ' ' ILE . . . . . 0.666 HG12 HD13 ' A' 1109 ' ' ILE . 20.9 mt -114.49 134.83 56.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.972 0.415 . . . . 0.0 111.093 -175.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 49.9 mm -93.17 117.85 37.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 173.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1096 ' ' VAL . . . . . 0.463 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 50.9 t -78.59 115.59 21.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.976 0.417 . . . . 0.0 110.483 -176.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1097 ' ' THR . . . . . 0.569 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 9.6 p -104.39 -12.04 16.78 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.955 -179.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -165.97 -178.28 38.72 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.242 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1099 ' ' GLU . . . . . 0.474 ' HG3' ' CD1' ' A' 1105 ' ' TRP . 47.7 tt0 -147.63 129.68 15.43 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -178.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1100 ' ' GLU . . . . . 0.773 ' HG2' ' HE ' ' B' 1589 ' ' ARG . 7.0 tp10 -103.72 -51.65 3.14 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.659 -177.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1101 ' ' ASP . . . . . 0.439 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 21.2 t70 -138.61 175.81 9.24 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -179.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -60.97 -38.62 86.58 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.119 0.485 . . . . 0.0 109.744 177.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1103 ' ' GLU . . . . . 0.662 ' HA ' ' HB ' ' A' 1121 ' ' VAL . 5.0 mm-40 -100.86 8.14 43.32 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.548 -177.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1104 ' ' TRP . . . . . 0.44 ' CD1' ' HA ' ' B' 1589 ' ' ARG . 92.7 m95 -141.59 101.89 4.07 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.048 0.451 . . . . 0.0 111.708 -176.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1105 ' ' TRP . . . . . 0.474 ' CD1' ' HG3' ' A' 1099 ' ' GLU . 45.5 m0 -106.34 164.08 12.31 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.787 178.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1106 ' ' ILE . . . . . 0.866 HG12 HG22 ' A' 1118 ' ' VAL . 54.6 mt -115.75 135.96 54.17 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.772 -175.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1107 ' ' GLY . . . . . 0.569 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -177.55 -158.54 20.82 Favored Glycine 0 N--CA 1.439 -1.159 0 C-N-CA 119.523 -1.322 . . . . 0.0 113.043 177.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 13.0 p-80 -151.11 151.47 32.0 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -178.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1109 ' ' ILE . . . . . 0.666 HD13 HG12 ' A' 1094 ' ' ILE . 47.8 mm -61.06 133.1 26.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 O-C-N 123.293 0.371 . . . . 0.0 110.395 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -50.65 -59.59 3.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 123.296 0.372 . . . . 0.0 111.86 -172.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -89.11 5.45 84.36 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.726 -0.75 . . . . 0.0 113.258 -177.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1112 ' ' GLN . . . . . 0.434 ' O ' ' HB ' ' A' 1109 ' ' ILE . 9.5 tt0 -147.56 78.97 9.77 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 121.513 0.673 . . . . 0.0 110.009 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -61.06 -26.89 83.64 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 123.841 3.027 . . . . 0.0 114.994 -172.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -73.15 -14.92 61.46 Favored 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 120.122 -0.631 . . . . 0.0 112.024 -178.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -81.91 90.28 6.44 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 166.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1116 ' ' LYS . . . . . 0.531 ' C ' HD12 ' A' 1086 ' ' LEU . 50.8 pttt -137.74 155.34 49.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.167 -171.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 149.07 -166.62 29.43 Favored Glycine 0 N--CA 1.44 -1.063 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.218 -178.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1118 ' ' VAL . . . . . 0.866 HG22 HG12 ' A' 1106 ' ' ILE . 16.8 t -96.54 126.29 49.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 121.105 0.478 . . . . 0.0 110.417 178.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1119 ' ' PHE . . . . . 0.642 ' HB2' ' HE2' ' A' 1088 ' ' PHE . 25.3 p90 -121.1 149.24 50.97 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.807 -174.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1120 ' ' PRO . . . . . 0.651 ' HA ' ' O ' ' A' 1103 ' ' GLU . 64.4 Cg_endo -79.18 122.85 5.37 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 122.406 2.07 . . . . 0.0 112.909 -178.254 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1121 ' ' VAL . . . . . 0.662 ' HB ' ' HA ' ' A' 1103 ' ' GLU . 8.3 t -58.48 -25.65 28.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 114.548 -1.205 . . . . 0.0 110.445 176.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1122 ' ' SER . . . . . 0.578 ' HB2' ' HD1' ' A' 1123 ' ' PHE . 0.7 OUTLIER -58.48 -29.19 66.02 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.344 178.625 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1123 ' ' PHE . . . . . 0.756 ' HB2' ' HZ ' ' A' 1088 ' ' PHE . 0.8 OUTLIER -107.35 3.27 25.16 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.959 0.409 . . . . 0.0 111.413 -173.303 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.609 HG12 ' HA ' ' A' 1074 ' ' THR . 10.8 m -129.63 162.56 36.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.757 0.313 . . . . 0.0 111.014 -177.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1125 ' ' HIS . . . . . 0.568 ' HB2' HD13 ' A' 1075 ' ' ILE . 80.3 t60 -126.87 132.45 50.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.866 0.365 . . . . 0.0 110.104 -178.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1126 ' ' ILE . . . . . 0.583 ' HA ' HG12 ' A' 1072 ' ' VAL . 1.9 mp -72.65 123.33 27.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.432 -177.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1127 ' ' LEU . . . . . 0.983 HD11 ' HB2' ' A' 1073 ' ' LYS . 89.2 mt -102.02 15.81 27.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.015 -177.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 49.0 m -89.33 19.72 4.24 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.592 0.71 . . . . 0.0 109.822 174.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 6.0 t70 . . . . . 0 C--O 1.245 0.841 0 CA-C-N 114.875 -1.057 . . . . 0.0 108.92 177.424 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 36.9 t . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 15.3 mt -66.55 121.19 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-O 121.054 0.454 . . . . 0.0 109.821 172.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1580 ' ' ILE . . . . . 0.538 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.5 mp -72.88 111.81 7.91 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.815 177.143 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 49.2 m 58.84 -154.86 0.36 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.87 0.367 . . . . 0.0 111.382 174.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -87.99 149.43 24.03 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 171.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1583 ' ' MET . . . . . 0.567 ' HA ' ' CE1' ' A' 1076 ' ' TYR . 9.3 ttm -63.59 136.22 96.61 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.061 -174.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1584 ' ' PRO . . . . . 0.703 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 77.2 Cg_endo -78.52 -176.12 3.1 Favored 'Trans proline' 0 N--CA 1.451 -1.023 0 C-N-CA 123.132 2.555 . . . . 0.0 110.036 175.057 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 60.8 m -116.54 141.97 47.48 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1586 ' ' LYS . . . . . . . . . . . . . 4.3 tttt -55.8 107.18 0.32 Allowed 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.472 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 6.2 m -75.13 77.06 2.29 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.331 -0.849 . . . . 0.0 109.46 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1588 ' ' SER . . . . . . . . . . . . . 49.6 m -27.9 116.62 0.09 Allowed 'General case' 0 N--CA 1.469 0.481 0 O-C-N 124.542 1.151 . . . . 0.0 113.339 -170.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B 1589 ' ' ARG . . . . . 0.773 ' HE ' ' HG2' ' A' 1100 ' ' GLU . 45.5 ttt180 -46.73 110.14 0.26 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.45 -1.25 . . . . 0.0 111.625 -176.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B 1590 ' ' LYS . . . . . 0.406 ' HD2' ' N ' ' B' 1590 ' ' LYS . 0.5 OUTLIER -69.33 -25.54 64.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.937 -170.388 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.706 -177.607 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 1070 ' ' ARG . . . . . 0.687 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 10.0 ttm180 . . . . . 0 C--O 1.221 -0.412 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -120.78 130.48 54.02 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 121.79 -0.568 . . . . 0.0 111.265 -179.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1072 ' ' VAL . . . . . 0.552 HG12 ' HA ' ' A' 1126 ' ' ILE . 33.9 m -129.83 143.69 40.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.034 175.201 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1073 ' ' LYS . . . . . 0.738 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.4 OUTLIER -111.77 131.44 55.32 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 177.817 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1074 ' ' THR . . . . . 0.609 ' HA ' HG12 ' A' 1124 ' ' VAL . 67.9 p -71.56 124.5 24.82 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.323 -177.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1075 ' ' ILE . . . . . 0.629 ' HA ' ' OE1' ' A' 1090 ' ' GLU . 12.0 pt -106.47 9.74 9.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.855 0.836 . . . . 0.0 110.256 -179.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1076 ' ' TYR . . . . . 0.805 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 87.3 m-85 -157.55 166.29 33.3 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 113.942 -1.481 . . . . 0.0 110.599 -175.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1077 ' ' ASP . . . . . 0.439 ' HA ' ' HA ' ' A' 1089 ' ' ILE . 1.0 OUTLIER -101.11 120.9 40.89 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.239 174.257 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1078 ' ' CYS . . . . . 0.591 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 50.9 t -129.54 146.52 51.35 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 110.259 -0.275 . . . . 0.0 110.259 -176.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1079 ' ' GLN . . . . . 0.578 ' HA ' HG23 ' A' 1087 ' ' THR . 7.6 tt0 -124.37 141.65 51.91 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.929 0.871 . . . . 0.0 112.142 -179.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1080 ' ' ALA . . . . . 0.508 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -70.66 146.0 50.25 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 113.968 -1.469 . . . . 0.0 112.528 -176.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 25.0 t70 -96.91 -45.44 6.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.149 171.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1082 ' ' ASN . . . . . 0.444 ' O ' ' HB1' ' A' 1080 ' ' ALA . 13.8 m120 -92.68 156.79 16.83 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.992 170.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.27 -18.62 64.58 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.463 177.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 30.1 t70 -88.37 -7.64 56.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.899 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . 0.508 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 42.6 mt-10 -82.18 162.37 22.45 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 175.13 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . 0.613 ' HB3' ' HB3' ' A' 1119 ' ' PHE . 13.4 tp -103.95 121.8 43.89 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 120.735 0.302 . . . . 0.0 111.537 -176.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . 0.578 HG23 ' HA ' ' A' 1079 ' ' GLN . 61.2 m -92.68 116.71 29.26 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 170.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1088 ' ' PHE . . . . . 0.666 ' HE2' ' HD2' ' A' 1120 ' ' PRO . 21.7 p90 -134.4 159.12 42.04 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.777 -176.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1089 ' ' ILE . . . . . 0.706 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -122.73 147.55 26.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 -177.659 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1090 ' ' GLU . . . . . 0.629 ' OE1' ' HA ' ' A' 1075 ' ' ILE . 0.8 OUTLIER -60.13 129.02 39.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.124 0.487 . . . . 0.0 111.018 -175.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 109.11 -5.11 31.89 Favored Glycine 0 N--CA 1.45 -0.38 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 -175.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1092 ' ' GLU . . . . . 0.43 ' HG3' HD12 ' A' 1109 ' ' ILE . 7.0 tp10 -89.75 161.43 16.05 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.618 -0.791 . . . . 0.0 109.924 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 60.9 t -128.64 130.38 68.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.948 -176.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1094 ' ' ILE . . . . . 0.47 HG21 ' CE1' ' A' 1119 ' ' PHE . 11.0 mt -116.8 129.66 72.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.954 0.407 . . . . 0.0 110.889 -177.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 46.8 mm -89.4 105.72 16.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 172.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1096 ' ' VAL . . . . . 0.687 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 58.8 t -69.52 117.57 12.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.125 -179.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1097 ' ' THR . . . . . 0.514 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 3.6 p -100.57 -22.09 15.08 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.585 178.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -161.02 -175.61 32.24 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.491 -178.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -141.89 141.17 33.02 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 -178.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1100 ' ' GLU . . . . . 0.526 ' HB2' HD11 ' A' 1106 ' ' ILE . 44.5 tt0 -120.6 -41.65 2.58 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.762 0.791 . . . . 0.0 108.956 178.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1101 ' ' ASP . . . . . 0.693 ' OD2' ' HG2' ' B' 1590 ' ' LYS . 5.9 t70 -121.9 174.85 6.62 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.556 -1.202 . . . . 0.0 108.266 -178.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -72.01 -37.47 69.78 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 170.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -108.22 10.65 27.81 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.892 -174.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1104 ' ' TRP . . . . . 0.672 ' HB2' ' CB ' ' A' 1101 ' ' ASP . 73.4 m95 -141.44 109.66 5.88 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.425 0.631 . . . . 0.0 110.921 179.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1105 ' ' TRP . . . . . 0.584 ' CH2' HD13 ' A' 1126 ' ' ILE . 44.8 m0 -110.72 165.33 11.92 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.341 -177.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1106 ' ' ILE . . . . . 0.526 HD11 ' HB2' ' A' 1100 ' ' GLU . 42.8 mt -116.87 136.68 53.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.69 -174.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1107 ' ' GLY . . . . . 0.514 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . 179.33 -164.6 32.83 Favored Glycine 0 N--CA 1.441 -1.03 0 C-N-CA 119.887 -1.149 . . . . 0.0 112.741 178.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -139.25 151.12 46.25 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -176.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1109 ' ' ILE . . . . . 0.642 ' HB ' ' HB2' ' A' 1112 ' ' GLN . 34.2 mm -65.33 138.34 23.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.142 0.496 . . . . 0.0 110.661 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.59 -41.57 94.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.7 -178.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . 0.456 ' H ' HG22 ' A' 1109 ' ' ILE . . . -96.48 -0.87 60.82 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.504 179.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1112 ' ' GLN . . . . . 0.642 ' HB2' ' HB ' ' A' 1109 ' ' ILE . 78.9 mm-40 -141.15 79.64 17.7 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-O 121.075 0.464 . . . . 0.0 110.18 -178.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.63 -20.43 53.25 Favored 'Trans proline' 0 C--O 1.23 0.111 0 C-N-CA 123.482 2.788 . . . . 0.0 113.122 -174.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -88.95 -2.86 58.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.562 0.696 . . . . 0.0 110.269 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -104.27 90.22 3.49 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.602 174.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1116 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.25 173.28 7.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.931 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 150.2 -169.52 30.21 Favored Glycine 0 N--CA 1.443 -0.838 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.03 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1118 ' ' VAL . . . . . 0.507 HG22 HG12 ' A' 1106 ' ' ILE . 8.7 t -99.93 119.67 48.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.994 0.426 . . . . 0.0 110.156 179.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1119 ' ' PHE . . . . . 0.625 ' HZ ' HG22 ' A' 1096 ' ' VAL . 14.8 p90 -111.87 141.95 25.78 Favored Pre-proline 0 C--N 1.316 -0.862 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.368 -176.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1120 ' ' PRO . . . . . 0.666 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 59.3 Cg_endo -74.27 125.46 9.73 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 122.863 2.375 . . . . 0.0 111.891 177.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1121 ' ' VAL . . . . . 0.598 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 48.1 t -64.52 -15.87 18.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.604 0.716 . . . . 0.0 109.679 176.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1122 ' ' SER . . . . . 0.601 ' HB2' ' HD1' ' A' 1123 ' ' PHE . 1.0 OUTLIER -59.28 -31.36 69.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.8 178.683 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1123 ' ' PHE . . . . . 0.601 ' HD1' ' HB2' ' A' 1122 ' ' SER . 0.9 OUTLIER -110.41 6.56 22.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.941 0.401 . . . . 0.0 111.148 -173.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.609 HG12 ' HA ' ' A' 1074 ' ' THR . 18.2 m -129.57 159.3 41.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.931 -178.031 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 81.2 t60 -119.71 129.21 54.41 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1126 ' ' ILE . . . . . 0.584 HD13 ' CH2' ' A' 1105 ' ' TRP . 62.3 mt -85.87 137.77 20.26 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.705 -171.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1127 ' ' LEU . . . . . 0.738 HD11 ' HB2' ' A' 1073 ' ' LYS . 27.6 mt -122.45 85.77 2.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.47 0.653 . . . . 0.0 110.771 -174.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 8.6 t -87.9 10.96 16.98 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.008 177.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 35.3 t70 . . . . . 0 C--O 1.248 1.02 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.76 179.728 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 68.9 m . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 22.2 mt -56.65 123.36 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.258 0.552 . . . . 0.0 110.796 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1580 ' ' ILE . . . . . 0.541 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.5 mp -72.99 120.04 20.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.734 176.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 37.2 m 55.78 -147.71 0.51 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.671 0.272 . . . . 0.0 111.079 174.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -97.06 148.33 23.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.892 0.377 . . . . 0.0 110.038 171.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1583 ' ' MET . . . . . 0.482 ' HA ' ' CE1' ' A' 1076 ' ' TYR . 5.5 ttm -57.81 133.17 83.04 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.389 -176.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B 1584 ' ' PRO . . . . . 0.805 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 1.2 Cg_endo -82.46 -174.13 1.97 Allowed 'Trans proline' 0 N--CA 1.445 -1.343 0 C-N-CA 123.247 2.631 . . . . 0.0 111.268 176.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 24.0 m -125.3 139.3 53.82 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 179.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1586 ' ' LYS . . . . . 0.43 ' C ' ' H ' ' B' 1588 ' ' SER . 40.9 ttmt -48.89 111.22 0.44 Allowed 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.581 0.551 . . . . 0.0 110.592 179.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 6.3 m -74.63 17.8 0.19 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.773 -175.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B 1588 ' ' SER . . . . . 0.43 ' H ' ' C ' ' B' 1586 ' ' LYS . 16.0 m 66.31 143.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.957 0.884 . . . . 0.0 111.594 -177.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B 1589 ' ' ARG . . . . . 0.512 ' HD2' ' OE1' ' A' 1100 ' ' GLU . 7.3 ttp180 -90.74 120.59 31.91 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 173.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B 1590 ' ' LYS . . . . . 0.693 ' HG2' ' OD2' ' A' 1101 ' ' ASP . 2.9 mmtt -76.24 -21.63 56.13 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -175.198 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.396 172.197 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 1070 ' ' ARG . . . . . 0.577 ' HG3' ' HB2' ' A' 1128 ' ' SER . 54.0 ttp180 . . . . . 0 C--O 1.224 -0.257 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1071 ' ' ARG . . . . . 0.418 ' HG2' HD13 ' A' 1095 ' ' ILE . 70.3 mtt180 -105.98 143.98 33.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.169 0.509 . . . . 0.0 112.057 -177.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1072 ' ' VAL . . . . . 0.512 HG12 ' HA ' ' A' 1126 ' ' ILE . 30.7 m -130.14 143.98 39.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.215 -0.902 . . . . 0.0 108.86 169.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1073 ' ' LYS . . . . . 0.561 ' HG2' HG22 ' A' 1093 ' ' VAL . 0.1 OUTLIER -113.2 132.72 55.38 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.108 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1074 ' ' THR . . . . . 0.609 ' HA ' HG12 ' A' 1124 ' ' VAL . 44.4 p -73.71 120.5 19.39 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.247 0.546 . . . . 0.0 110.813 -176.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1075 ' ' ILE . . . . . 0.569 HG13 ' CD2' ' A' 1076 ' ' TYR . 17.1 pt -100.82 -3.49 9.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.458 -178.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1076 ' ' TYR . . . . . 0.766 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 94.5 m-85 -142.15 170.7 15.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.808 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1077 ' ' ASP . . . . . 0.442 ' HA ' ' HA ' ' A' 1089 ' ' ILE . 21.3 m-20 -99.51 109.45 21.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.354 174.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1078 ' ' CYS . . . . . 0.549 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 40.9 t -115.51 137.9 51.59 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.485 -177.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1079 ' ' GLN . . . . . 0.607 ' HA ' HG23 ' A' 1087 ' ' THR . 45.8 tt0 -124.59 145.68 49.47 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.91 0.862 . . . . 0.0 111.827 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1080 ' ' ALA . . . . . 0.643 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -88.44 144.14 26.55 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.41 -1.268 . . . . 0.0 111.508 -176.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 38.1 t70 -103.53 -27.31 12.44 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 173.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 14.6 m120 -110.83 151.3 27.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.05 175.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -65.37 -20.93 66.61 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.765 -175.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 30.5 t70 -85.13 -12.82 51.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . 0.643 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 72.7 mt-10 -87.66 153.47 21.35 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . 0.468 HD23 ' HB3' ' A' 1119 ' ' PHE . 16.0 tp -97.51 132.66 42.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.427 -178.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . 0.607 HG23 ' HA ' ' A' 1079 ' ' GLN . 84.9 m -100.86 120.89 40.8 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 171.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1088 ' ' PHE . . . . . 0.545 ' CE1' ' HD2' ' A' 1120 ' ' PRO . 20.2 p90 -142.74 134.18 26.35 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.334 -177.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1089 ' ' ILE . . . . . 0.461 ' O ' HD12 ' A' 1089 ' ' ILE . 2.0 pp -97.72 159.14 3.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.002 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -58.68 122.94 14.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.155 -178.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 116.59 -7.22 17.99 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.519 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1092 ' ' GLU . . . . . 0.416 ' HA ' ' OE1' ' A' 1092 ' ' GLU . 3.9 mm-40 -85.9 156.03 20.69 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.278 0.561 . . . . 0.0 111.727 177.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1093 ' ' VAL . . . . . 0.561 HG22 ' HG2' ' A' 1073 ' ' LYS . 60.4 t -119.41 130.35 74.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.055 175.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1094 ' ' ILE . . . . . 0.797 HG12 HG12 ' A' 1109 ' ' ILE . 29.7 mt -116.7 134.42 60.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.333 -177.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1095 ' ' ILE . . . . . 0.418 HD13 ' HG2' ' A' 1071 ' ' ARG . 47.5 mm -88.53 110.15 20.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 175.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1096 ' ' VAL . . . . . 0.539 HG22 ' HZ ' ' A' 1119 ' ' PHE . 22.7 t -78.69 114.6 19.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.781 -176.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1097 ' ' THR . . . . . 0.593 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 3.3 p -98.73 -21.85 16.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.209 179.007 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -161.02 -169.08 23.79 Favored Glycine 0 N--CA 1.443 -0.857 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1099 ' ' GLU . . . . . 0.602 ' HA ' ' HA ' ' A' 1105 ' ' TRP . 0.2 OUTLIER -157.25 150.53 23.85 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.478 0.656 . . . . 0.0 109.78 175.378 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1100 ' ' GLU . . . . . 0.85 ' HG2' ' HE ' ' B' 1589 ' ' ARG . 7.6 tp10 -107.72 -50.48 3.06 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.053 -175.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1101 ' ' ASP . . . . . 0.518 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 29.4 t70 -125.76 172.94 9.4 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.373 -1.285 . . . . 0.0 107.604 176.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -63.0 -32.71 74.12 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.706 0.765 . . . . 0.0 109.116 175.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -102.72 1.57 34.59 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.318 -1.31 . . . . 0.0 111.34 -175.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1104 ' ' TRP . . . . . 0.518 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 77.9 m95 -135.91 99.52 4.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.134 -0.354 . . . . 0.0 111.234 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1105 ' ' TRP . . . . . 0.602 ' HA ' ' HA ' ' A' 1099 ' ' GLU . 39.7 m0 -100.98 162.61 12.77 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.505 -178.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 28.5 mt -119.79 140.35 44.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.83 -176.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1107 ' ' GLY . . . . . 0.593 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -178.4 -162.21 27.7 Favored Glycine 0 N--CA 1.44 -1.099 0 C-N-CA 119.299 -1.429 . . . . 0.0 113.245 175.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -138.09 137.25 37.57 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1109 ' ' ILE . . . . . 0.797 HG12 HG12 ' A' 1094 ' ' ILE . 6.7 mt -65.43 141.04 18.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-O 121.396 0.617 . . . . 0.0 112.243 -173.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -71.28 125.7 27.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.79 -175.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . 0.418 ' O ' ' HD3' ' A' 1113 ' ' PRO . . . 95.55 -40.93 2.55 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.791 -0.718 . . . . 0.0 111.508 -177.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1112 ' ' GLN . . . . . 0.457 ' HB3' ' HD3' ' A' 1115 ' ' ARG . 1.5 mp0 -115.89 81.77 10.07 Favored Pre-proline 0 C--N 1.327 -0.399 0 N-CA-C 110.508 -0.182 . . . . 0.0 110.508 177.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1113 ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' 1111 ' ' GLY . 18.6 Cg_exo -67.73 -3.22 9.94 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.904 2.403 . . . . 0.0 112.069 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -76.03 -27.56 57.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.114 175.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1115 ' ' ARG . . . . . 0.457 ' HD3' ' HB3' ' A' 1112 ' ' GLN . 3.8 mpt_? -90.4 90.46 8.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.217 178.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1116 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.38 156.58 28.71 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 174.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 163.21 -168.38 37.92 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.195 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1118 ' ' VAL . . . . . 0.448 HG12 ' HE3' ' A' 1104 ' ' TRP . 13.8 t -105.84 117.33 51.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1119 ' ' PHE . . . . . 0.539 ' HZ ' HG22 ' A' 1096 ' ' VAL . 12.6 p90 -110.14 138.85 20.93 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.894 -0.593 . . . . 0.0 112.162 -176.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1120 ' ' PRO . . . . . 0.545 ' HD2' ' CE1' ' A' 1088 ' ' PHE . 53.9 Cg_endo -72.3 127.7 12.95 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 123.143 2.562 . . . . 0.0 112.211 175.044 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1121 ' ' VAL . . . . . 0.616 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 73.0 t -66.3 -13.48 16.09 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 121.594 0.711 . . . . 0.0 109.704 176.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1122 ' ' SER . . . . . 0.507 ' HB2' ' CD1' ' A' 1123 ' ' PHE . 0.9 OUTLIER -61.02 -25.84 67.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.703 178.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1123 ' ' PHE . . . . . 0.549 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 1.0 OUTLIER -115.39 5.79 14.66 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.854 0.359 . . . . 0.0 111.137 -175.394 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.616 ' CG2' ' HA ' ' A' 1121 ' ' VAL . 16.4 m -131.13 154.61 40.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 121.092 0.472 . . . . 0.0 111.646 -178.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -118.38 133.05 56.2 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 178.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1126 ' ' ILE . . . . . 0.512 ' HA ' HG12 ' A' 1072 ' ' VAL . 67.5 mt -83.12 129.37 37.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.094 0.474 . . . . 0.0 111.795 -171.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 8.0 mp -94.67 -41.64 9.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.653 -175.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 1128 ' ' SER . . . . . 0.577 ' HB2' ' HG3' ' A' 1070 ' ' ARG . 23.8 m -78.75 62.93 3.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.364 0.602 . . . . 0.0 110.515 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 12.8 t70 . . . . . 0 C--O 1.245 0.864 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.486 179.637 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 39.5 m . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 10.6 mt -71.75 123.68 26.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.279 0.561 . . . . 0.0 110.277 177.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1580 ' ' ILE . . . . . 0.422 ' O ' ' CE1' ' A' 1076 ' ' TYR . 1.6 mp -71.19 127.65 33.4 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.615 175.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 35.4 m 48.84 -143.72 0.47 Allowed 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 173.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -104.8 143.85 32.56 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 173.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1583 ' ' MET . . . . . 0.582 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 3.2 ttm -50.1 136.64 21.46 Favored Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -174.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1584 ' ' PRO . . . . . 0.766 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 87.3 Cg_endo -88.18 -174.84 1.22 Allowed 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 123.738 2.959 . . . . 0.0 110.999 177.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 28.0 m -126.05 135.18 51.46 Favored 'General case' 0 C--N 1.307 -1.282 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -178.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1586 ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -54.44 107.59 0.3 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 176.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 5.1 m -70.91 3.78 3.07 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.485 -174.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1588 ' ' SER . . . . . . . . . . . . . 26.1 t 71.93 149.38 0.09 Allowed 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.477 -178.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B 1589 ' ' ARG . . . . . 0.85 ' HE ' ' HG2' ' A' 1100 ' ' GLU . 38.9 ttt180 -93.05 119.29 32.13 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.796 -176.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1590 ' ' LYS . . . . . 0.474 ' HD2' ' H ' ' B' 1590 ' ' LYS . 7.7 mptt -65.48 -11.1 40.15 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.352 -174.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.413 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.59 179.397 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 1070 ' ' ARG . . . . . 0.726 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 21.8 ttm180 . . . . . 0 C--O 1.222 -0.394 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 55.0 ttt-85 -98.24 127.7 44.31 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 120.25 -0.58 . . . . 0.0 111.122 -172.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1072 ' ' VAL . . . . . 0.61 HG12 ' HA ' ' A' 1126 ' ' ILE . 18.7 m -128.53 152.59 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.92 176.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1073 ' ' LYS . . . . . 0.638 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.3 OUTLIER -120.36 134.27 55.3 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 177.654 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1074 ' ' THR . . . . . 0.654 ' HA ' HG12 ' A' 1124 ' ' VAL . 65.4 p -71.43 115.83 11.05 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.455 0.645 . . . . 0.0 110.275 -177.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1075 ' ' ILE . . . . . 0.592 HD12 ' HB ' ' B' 1580 ' ' ILE . 11.1 pt -98.27 1.2 10.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-O 121.514 0.673 . . . . 0.0 109.714 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1076 ' ' TYR . . . . . 0.691 ' HB2' ' HB3' ' A' 1123 ' ' PHE . 32.5 m-85 -146.82 172.52 13.52 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.541 -1.209 . . . . 0.0 112.005 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -107.99 114.76 28.92 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.531 -1.213 . . . . 0.0 108.398 178.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1078 ' ' CYS . . . . . 0.602 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 47.0 t -126.32 145.43 50.44 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.999 0.428 . . . . 0.0 110.369 -177.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1079 ' ' GLN . . . . . 0.579 ' HA ' HG23 ' A' 1087 ' ' THR . 65.0 tt0 -126.78 145.63 50.55 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.224 -177.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1080 ' ' ALA . . . . . 0.608 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -66.13 143.42 57.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.384 -1.28 . . . . 0.0 112.365 -177.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -86.94 -35.5 18.87 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.688 173.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -134.99 178.47 7.0 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.813 -176.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 22.7 t70 -61.15 -40.3 93.32 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -172.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -94.83 51.98 1.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.232 0.539 . . . . 0.0 111.619 -173.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . 0.608 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 9.2 mm-40 -129.35 -173.69 3.07 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 174.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . 0.772 HD23 ' HB3' ' A' 1119 ' ' PHE . 15.8 tp -124.2 123.8 41.06 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.805 0.336 . . . . 0.0 111.34 176.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . 0.579 HG23 ' HA ' ' A' 1079 ' ' GLN . 88.6 m -97.13 120.66 37.9 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 170.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1088 ' ' PHE . . . . . 0.783 ' HE2' ' HD2' ' A' 1120 ' ' PRO . 19.6 p90 -133.6 152.08 51.82 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 -178.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1089 ' ' ILE . . . . . 0.667 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -118.8 157.43 20.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.974 0.416 . . . . 0.0 110.87 178.547 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -61.21 125.19 22.87 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.817 -172.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 116.08 -10.49 17.78 Favored Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.008 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -84.95 158.26 20.58 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.123 0.487 . . . . 0.0 111.377 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1093 ' ' VAL . . . . . 0.543 HG22 ' HG2' ' A' 1073 ' ' LYS . 63.3 t -121.94 125.89 73.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.073 178.212 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1094 ' ' ILE . . . . . 0.658 HG12 HG12 ' A' 1109 ' ' ILE . 44.7 mt -114.45 134.69 56.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.404 -176.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 51.2 mm -94.58 108.53 20.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 176.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1096 ' ' VAL . . . . . 0.726 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 99.2 t -70.19 124.53 26.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.316 -178.618 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 14.8 p -111.95 -25.78 9.23 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.119 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -148.29 -176.09 21.46 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.507 -176.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1099 ' ' GLU . . . . . 0.438 ' HA ' ' HA ' ' A' 1105 ' ' TRP . 18.8 tt0 -153.96 129.53 9.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.839 0.352 . . . . 0.0 110.658 -175.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1100 ' ' GLU . . . . . 0.477 ' HG2' HD11 ' A' 1106 ' ' ILE . 23.3 mm-40 -106.56 -50.77 3.06 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.485 0.66 . . . . 0.0 109.958 178.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1101 ' ' ASP . . . . . 0.77 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 19.6 t70 -133.55 174.37 10.5 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.738 -174.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -60.15 -38.86 84.41 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1103 ' ' GLU . . . . . 0.659 ' O ' ' HA ' ' A' 1120 ' ' PRO . 13.0 mt-10 -112.45 21.19 15.95 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.166 -179.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1104 ' ' TRP . . . . . 0.77 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 94.5 m95 -141.92 100.57 3.77 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.182 0.515 . . . . 0.0 111.395 -179.089 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1105 ' ' TRP . . . . . 0.456 ' CZ3' ' HD2' ' A' 1070 ' ' ARG . 44.9 m0 -111.35 163.89 13.51 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.992 -179.021 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1106 ' ' ILE . . . . . 0.642 HG12 HG22 ' A' 1118 ' ' VAL . 56.0 mt -115.59 137.57 48.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -177.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1107 ' ' GLY . . . . . 0.402 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -175.47 -168.39 35.85 Favored Glycine 0 N--CA 1.436 -1.358 0 C-N-CA 119.573 -1.298 . . . . 0.0 112.429 177.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1108 ' ' HIS . . . . . 0.466 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 20.7 p-80 -139.78 144.42 37.38 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -178.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1109 ' ' ILE . . . . . 0.658 HG12 HG12 ' A' 1094 ' ' ILE . 5.6 mt -70.03 141.42 17.14 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.402 -174.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -52.91 -62.08 1.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.78 -168.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -79.0 -25.4 59.96 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.56 -176.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.18 83.03 6.0 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 177.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -66.93 -22.86 47.9 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.199 2.599 . . . . 0.0 114.009 -169.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -89.09 -8.12 54.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.199 0.523 . . . . 0.0 110.656 -177.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -86.56 89.68 7.99 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 171.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1116 ' ' LYS . . . . . 0.466 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 16.3 pttp -130.13 158.58 39.28 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.787 -174.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 168.36 -163.23 36.99 Favored Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 -177.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1118 ' ' VAL . . . . . 0.642 HG22 HG12 ' A' 1106 ' ' ILE . 14.7 t -106.99 116.59 51.05 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 CA-C-O 121.11 0.481 . . . . 0.0 109.946 176.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1119 ' ' PHE . . . . . 0.772 ' HB3' HD23 ' A' 1086 ' ' LEU . 14.9 p90 -109.23 142.87 26.54 Favored Pre-proline 0 C--N 1.319 -0.744 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.701 -176.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1120 ' ' PRO . . . . . 0.783 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 62.4 Cg_endo -76.46 125.13 8.15 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.545 2.163 . . . . 0.0 112.432 176.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1121 ' ' VAL . . . . . 0.605 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 96.0 t -62.85 -19.28 22.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.746 179.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1122 ' ' SER . . . . . 0.53 ' HB2' ' CD1' ' A' 1123 ' ' PHE . 1.3 m -61.17 -31.32 71.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.925 -179.185 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1123 ' ' PHE . . . . . 0.691 ' HB3' ' HB2' ' A' 1076 ' ' TYR . 0.1 OUTLIER -107.0 2.84 25.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.105 0.479 . . . . 0.0 110.413 -174.073 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.654 HG12 ' HA ' ' A' 1074 ' ' THR . 16.0 m -125.43 158.33 33.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.391 179.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1125 ' ' HIS . . . . . 0.555 ' HB2' HD13 ' A' 1075 ' ' ILE . 82.8 t60 -120.69 131.93 54.82 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1126 ' ' ILE . . . . . 0.61 ' HA ' HG12 ' A' 1072 ' ' VAL . 2.1 mp -76.58 131.37 34.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.219 -177.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1127 ' ' LEU . . . . . 0.638 HD11 ' HB2' ' A' 1073 ' ' LYS . 43.3 mt -115.31 80.86 1.49 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.028 -179.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 32.6 m -89.47 20.41 3.92 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.543 -179.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 10.4 m-20 . . . . . 0 C--O 1.248 1.008 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.156 175.463 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 21.1 m . . . . . 0 N--CA 1.477 0.892 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 35.0 mt -94.18 133.94 33.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.991 0.424 . . . . 0.0 111.051 -177.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1580 ' ' ILE . . . . . 0.592 ' HB ' HD12 ' A' 1075 ' ' ILE . 1.6 mp -99.06 101.37 12.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.314 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1581 ' ' SER . . . . . 0.422 ' HB2' ' O ' ' B' 1580 ' ' ILE . 47.1 m 74.58 -140.89 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.19 -177.309 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -119.15 157.37 28.05 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 173.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1583 ' ' MET . . . . . 0.639 ' HA ' ' CE1' ' A' 1076 ' ' TYR . 31.9 ttm -42.01 119.52 2.17 Favored Pre-proline 0 C--O 1.236 0.391 0 O-C-N 123.925 0.765 . . . . 0.0 112.635 -170.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1584 ' ' PRO . . . . . 0.492 ' HD3' ' CZ ' ' A' 1076 ' ' TYR . 60.0 Cg_endo -71.75 -176.59 2.1 Favored 'Trans proline' 0 N--CA 1.454 -0.844 0 C-N-CA 123.062 2.508 . . . . 0.0 110.26 176.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 5.8 m -109.11 129.87 55.48 Favored 'General case' 0 N--CA 1.434 -1.23 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1586 ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -63.63 98.14 0.17 Allowed 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 174.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 19.9 m -71.67 77.87 0.83 Allowed 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.209 -178.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1588 ' ' SER . . . . . 0.639 ' O ' ' HD3' ' B' 1590 ' ' LYS . 4.5 m -29.48 128.03 0.1 Allowed 'General case' 0 N--CA 1.468 0.45 0 O-C-N 124.564 1.165 . . . . 0.0 113.39 -168.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B 1589 ' ' ARG . . . . . . . . . . . . . 15.0 ttp85 -53.02 106.1 0.15 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.293 -0.867 . . . . 0.0 112.106 -172.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B 1590 ' ' LYS . . . . . 0.639 ' HD3' ' O ' ' B' 1588 ' ' SER . 0.0 OUTLIER -63.4 -15.7 58.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 114.828 -1.078 . . . . 0.0 111.374 -177.582 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.679 -177.213 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 1070 ' ' ARG . . . . . 0.735 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 14.3 ttm180 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 45.1 ttt-85 -117.79 140.7 49.32 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 -177.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1072 ' ' VAL . . . . . 0.632 HG12 ' HA ' ' A' 1126 ' ' ILE . 18.4 m -133.99 154.8 38.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.772 0.32 . . . . 0.0 110.463 178.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1073 ' ' LYS . . . . . 0.575 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.4 OUTLIER -122.71 136.23 54.81 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 176.263 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1074 ' ' THR . . . . . 0.588 ' HA ' HG12 ' A' 1124 ' ' VAL . 48.6 p -74.82 124.26 26.51 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.799 -175.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1075 ' ' ILE . . . . . 0.598 HG13 ' CD2' ' A' 1076 ' ' TYR . 16.1 pt -102.23 -2.93 9.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-O 121.556 0.693 . . . . 0.0 110.114 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1076 ' ' TYR . . . . . 0.779 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 95.0 m-85 -139.8 173.74 11.22 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.927 178.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.61 131.13 54.13 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.662 175.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1078 ' ' CYS . . . . . 0.682 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 42.7 t -142.42 145.73 34.11 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.027 -176.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1079 ' ' GLN . . . . . 0.503 ' HA ' HG23 ' A' 1087 ' ' THR . 27.6 tt0 -129.01 149.44 50.83 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 121.328 0.585 . . . . 0.0 111.356 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1080 ' ' ALA . . . . . 0.489 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -60.2 131.18 50.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.781 -1.1 . . . . 0.0 112.485 -176.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 13.6 t70 -92.83 -24.75 18.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.009 176.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1082 ' ' ASN . . . . . 0.488 ' H ' ' HG3' ' A' 1085 ' ' GLU . 7.8 t-20 -145.67 -172.12 3.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.324 -172.161 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 20.0 t70 -61.61 -41.36 97.34 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -171.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 37.3 t70 -113.14 48.47 1.03 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.889 0.852 . . . . 0.0 110.624 -176.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . 0.59 ' HG2' HH21 ' B' 1589 ' ' ARG . 2.0 mm-40 -108.98 157.1 18.98 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.532 175.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . 0.564 HD23 ' HB3' ' A' 1119 ' ' PHE . 16.1 tp -105.29 129.27 53.68 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.762 0.315 . . . . 0.0 111.313 -177.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . 0.503 HG23 ' HA ' ' A' 1079 ' ' GLN . 60.4 m -100.91 119.67 39.04 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 171.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1088 ' ' PHE . . . . . 0.555 ' CZ ' ' HD2' ' A' 1120 ' ' PRO . 19.4 p90 -143.06 140.45 30.94 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.271 -176.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1089 ' ' ILE . . . . . 0.492 HD12 ' HB2' ' A' 1092 ' ' GLU . 1.8 pp -104.16 158.32 5.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.0 -178.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1090 ' ' GLU . . . . . 0.472 ' HG3' ' HA ' ' B' 1579 ' ' ILE . 2.9 tm-20 -59.19 123.35 16.37 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 110.84 -1.71 28.79 Favored Glycine 0 N--CA 1.454 -0.154 0 C-N-CA 120.852 -0.689 . . . . 0.0 111.79 -177.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1092 ' ' GLU . . . . . 0.492 ' HB2' HD12 ' A' 1089 ' ' ILE . 5.4 tp10 -84.83 160.79 20.13 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 62.1 t -129.51 131.68 66.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1094 ' ' ILE . . . . . 0.481 HG21 ' CE1' ' A' 1119 ' ' PHE . 10.4 mt -122.78 133.26 69.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.06 0.457 . . . . 0.0 110.85 -176.056 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 44.9 mm -90.33 115.6 30.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 174.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1096 ' ' VAL . . . . . 0.735 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 46.9 t -75.61 111.66 12.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.15 0.5 . . . . 0.0 110.645 -177.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1097 ' ' THR . . . . . 0.545 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 64.3 p -98.08 -17.63 18.99 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.793 -178.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -169.06 -176.83 39.4 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.333 -0.937 . . . . 0.0 112.684 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -135.9 143.82 45.19 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1100 ' ' GLU . . . . . 0.491 ' HB2' HD11 ' A' 1106 ' ' ILE . 36.1 tt0 -122.54 -40.74 2.43 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.699 0.761 . . . . 0.0 109.285 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1101 ' ' ASP . . . . . 0.604 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 10.1 t70 -126.4 -167.17 1.68 Allowed 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.827 -1.079 . . . . 0.0 108.357 -179.393 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -86.98 -39.85 15.31 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 170.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1103 ' ' GLU . . . . . 0.435 ' O ' ' HA ' ' A' 1120 ' ' PRO . 22.6 tt0 -101.0 10.79 40.69 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 114.64 -1.163 . . . . 0.0 110.418 -177.446 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1104 ' ' TRP . . . . . 0.604 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 79.8 m95 -141.56 113.37 7.83 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.104 0.478 . . . . 0.0 111.474 -178.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 44.5 m0 -115.0 164.1 14.64 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.762 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1106 ' ' ILE . . . . . 0.599 HG12 HG22 ' A' 1118 ' ' VAL . 18.7 mt -115.98 143.35 26.19 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.645 -174.212 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1107 ' ' GLY . . . . . 0.545 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . 177.6 -158.14 23.17 Favored Glycine 0 N--CA 1.436 -1.361 0 C-N-CA 119.918 -1.134 . . . . 0.0 112.178 176.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1108 ' ' HIS . . . . . 0.4 ' HA ' ' HA ' ' A' 1116 ' ' LYS . 5.1 p-80 -143.22 151.56 40.74 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 -179.132 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1109 ' ' ILE . . . . . 0.461 HD12 ' HG3' ' A' 1092 ' ' GLU . 36.9 mm -62.22 130.7 26.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.279 179.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -52.57 -57.16 10.86 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -170.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -82.87 0.94 89.3 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.877 -0.678 . . . . 0.0 113.182 -176.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -143.93 86.0 8.78 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-O 121.08 0.467 . . . . 0.0 109.893 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -60.99 -29.05 87.23 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 123.352 2.701 . . . . 0.0 113.793 -171.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -78.57 -9.09 59.23 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.39 -177.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -87.66 89.43 7.99 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 171.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1116 ' ' LYS . . . . . 0.613 ' HD3' ' H ' ' A' 1116 ' ' LYS . 0.2 OUTLIER -125.29 165.17 18.81 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.53 -176.855 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 154.82 -167.22 32.63 Favored Glycine 0 N--CA 1.441 -1.01 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1118 ' ' VAL . . . . . 0.599 HG22 HG12 ' A' 1106 ' ' ILE . 15.5 t -104.29 122.18 56.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 120.964 0.411 . . . . 0.0 110.041 178.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1119 ' ' PHE . . . . . 0.564 ' HB3' HD23 ' A' 1086 ' ' LEU . 12.2 p90 -110.4 140.35 22.4 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.903 -178.199 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1120 ' ' PRO . . . . . 0.555 ' HD2' ' CZ ' ' A' 1088 ' ' PHE . 58.4 Cg_endo -73.42 123.17 8.48 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.741 2.294 . . . . 0.0 111.944 176.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1121 ' ' VAL . . . . . 0.559 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 57.4 t -62.48 -19.35 22.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.999 178.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1122 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.96 -22.82 67.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.886 177.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1123 ' ' PHE . . . . . 0.682 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.7 OUTLIER -111.48 2.02 17.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.88 0.371 . . . . 0.0 111.136 -176.274 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.588 HG12 ' HA ' ' A' 1074 ' ' THR . 17.0 m -129.53 165.5 29.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.035 0.445 . . . . 0.0 111.27 -178.114 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 64.4 t60 -126.12 130.55 51.27 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.929 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1126 ' ' ILE . . . . . 0.632 ' HA ' HG12 ' A' 1072 ' ' VAL . 2.0 mp -73.87 132.56 33.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.472 -176.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1127 ' ' LEU . . . . . 0.575 HD11 ' HB2' ' A' 1073 ' ' LYS . 71.1 mt -124.05 59.93 1.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.045 0.45 . . . . 0.0 110.976 -177.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 6.0 p -87.36 8.25 25.3 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 122.026 0.917 . . . . 0.0 109.473 173.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 35.2 t70 . . . . . 0 C--O 1.247 0.965 0 CA-C-N 114.224 -1.353 . . . . 0.0 109.853 -179.486 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 62.8 m . . . . . 0 N--CA 1.477 0.886 0 CA-C-O 120.513 0.197 . . . . 0.0 110.691 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B 1579 ' ' ILE . . . . . 0.472 ' HA ' ' HG3' ' A' 1090 ' ' GLU . 37.6 mt -68.14 122.95 20.39 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 C-N-CA 120.309 -0.556 . . . . 0.0 109.827 175.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1580 ' ' ILE . . . . . 0.47 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.7 mp -70.4 119.6 16.81 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 175.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 74.1 m 54.62 -161.28 0.15 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 171.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -85.41 155.68 21.17 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.339 168.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1583 ' ' MET . . . . . 0.448 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 2.9 ttm -60.7 135.61 92.45 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -175.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1584 ' ' PRO . . . . . 0.779 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 86.5 Cg_endo -80.17 -175.59 2.78 Favored 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 123.301 2.667 . . . . 0.0 110.413 173.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 9.5 m -110.09 134.85 51.75 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 -177.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1586 ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -65.97 101.47 0.68 Allowed 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 173.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 16.3 t -76.49 4.17 9.74 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.767 -169.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1588 ' ' SER . . . . . . . . . . . . . 21.8 m 67.12 155.5 0.1 Allowed 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.363 0.601 . . . . 0.0 110.445 -174.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1589 ' ' ARG . . . . . 0.59 HH21 ' HG2' ' A' 1085 ' ' GLU . 2.5 mtt180 -86.77 131.68 34.06 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 176.423 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B 1590 ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -76.94 -14.55 59.85 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 -175.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.26 0 CA-C-N 114.922 -1.035 . . . . 0.0 111.238 176.231 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 1070 ' ' ARG . . . . . 0.529 ' HD3' ' CZ3' ' A' 1105 ' ' TRP . 33.2 ttm180 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 121.472 0.653 . . . . 0.0 110.377 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1071 ' ' ARG . . . . . 0.455 ' HG3' HD13 ' A' 1095 ' ' ILE . 43.5 ttt180 -127.79 149.99 50.02 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.03 -0.987 . . . . 0.0 108.644 -175.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1072 ' ' VAL . . . . . 0.586 HG12 ' HA ' ' A' 1126 ' ' ILE . 29.9 m -137.04 151.51 27.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.137 0.494 . . . . 0.0 110.806 177.254 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1073 ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -116.36 137.8 51.86 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 177.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1074 ' ' THR . . . . . 0.561 ' HA ' HG12 ' A' 1124 ' ' VAL . 43.3 p -82.21 124.9 30.33 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.146 0.498 . . . . 0.0 110.572 -176.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1075 ' ' ILE . . . . . 0.662 HG13 ' CD2' ' A' 1076 ' ' TYR . 22.4 pt -106.55 0.68 10.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.588 -177.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1076 ' ' TYR . . . . . 0.766 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 90.1 m-85 -141.79 171.51 13.96 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.858 -1.064 . . . . 0.0 111.199 179.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1077 ' ' ASP . . . . . 0.402 ' HA ' ' HA ' ' A' 1089 ' ' ILE . 19.3 m-20 -103.79 105.1 15.21 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 115.485 -0.78 . . . . 0.0 108.924 177.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1078 ' ' CYS . . . . . 0.611 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 50.8 t -118.69 143.21 47.0 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-O 121.212 0.53 . . . . 0.0 110.598 -175.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1079 ' ' GLN . . . . . 0.543 ' HA ' HG23 ' A' 1087 ' ' THR . 50.7 tt0 -129.44 143.28 50.77 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.891 178.497 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1080 ' ' ALA . . . . . . . . . . . . . . . -55.86 127.06 28.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.993 -174.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1081 ' ' ASP . . . . . 0.55 ' HB2' ' HE2' ' B' 1586 ' ' LYS . 28.1 t70 -76.84 -49.03 16.71 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.364 177.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -109.69 -171.22 1.8 Allowed 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 172.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 20.9 t70 -74.27 -32.38 62.9 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.905 0.383 . . . . 0.0 111.371 -178.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 36.9 t70 -80.24 -13.77 58.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.689 -171.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -79.54 166.52 21.85 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.892 0.377 . . . . 0.0 110.862 177.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 17.6 tp -104.74 140.51 37.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.216 -178.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1087 ' ' THR . . . . . 0.543 HG23 ' HA ' ' A' 1079 ' ' GLN . 89.8 m -102.77 116.62 32.93 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 172.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1088 ' ' PHE . . . . . 0.66 ' CE1' ' HD2' ' A' 1120 ' ' PRO . 25.1 p90 -140.18 135.48 32.47 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.128 -176.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1089 ' ' ILE . . . . . 0.717 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -103.48 159.49 4.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.189 -175.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1090 ' ' GLU . . . . . 0.43 ' HG3' ' HA ' ' B' 1579 ' ' ILE . 3.0 tm-20 -59.4 126.45 27.7 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 -177.121 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 106.01 -0.21 38.57 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.879 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -89.68 161.92 15.86 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 60.8 t -128.84 131.59 68.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -178.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1094 ' ' ILE . . . . . 0.52 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 18.3 mt -118.79 136.11 57.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 121.073 0.463 . . . . 0.0 110.949 -177.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1095 ' ' ILE . . . . . 0.455 HD13 ' HG3' ' A' 1071 ' ' ARG . 48.0 mm -93.81 115.28 32.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 173.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 21.4 t -76.9 118.63 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.015 0.436 . . . . 0.0 110.48 -176.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1097 ' ' THR . . . . . . . . . . . . . 33.6 p -97.09 -22.04 17.01 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.839 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -170.33 -178.54 41.24 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.699 178.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 21.6 mp0 -133.64 139.5 46.53 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1100 ' ' GLU . . . . . 0.702 ' HB2' HD11 ' A' 1106 ' ' ILE . 36.7 tt0 -120.94 -44.05 2.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.559 0.695 . . . . 0.0 109.507 -178.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1101 ' ' ASP . . . . . 0.698 ' OD2' ' HG2' ' B' 1590 ' ' LYS . 8.9 t70 -113.85 -171.29 1.87 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.575 -1.193 . . . . 0.0 107.84 177.542 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1102 ' ' GLN . . . . . 0.572 ' HG3' ' HG3' ' A' 1103 ' ' GLU . 28.9 pt20 -91.99 -31.11 15.73 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 173.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1103 ' ' GLU . . . . . 0.572 ' HG3' ' HG3' ' A' 1102 ' ' GLN . 36.5 mt-10 -104.35 9.78 35.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.638 178.137 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1104 ' ' TRP . . . . . 0.655 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 83.6 m95 -141.78 111.19 6.45 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 121.53 0.681 . . . . 0.0 111.615 -177.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1105 ' ' TRP . . . . . 0.529 ' CZ3' ' HD3' ' A' 1070 ' ' ARG . 40.9 m0 -115.26 163.26 15.93 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.211 -179.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1106 ' ' ILE . . . . . 0.702 HD11 ' HB2' ' A' 1100 ' ' GLU . 3.4 mp -114.49 140.76 33.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 -175.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -177.89 -159.03 22.02 Favored Glycine 0 N--CA 1.433 -1.512 0 C-N-CA 119.735 -1.222 . . . . 0.0 111.856 175.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1108 ' ' HIS . . . . . 0.488 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 6.7 p-80 -144.79 152.95 41.11 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1109 ' ' ILE . . . . . 0.477 HG21 ' NE2' ' A' 1112 ' ' GLN . 26.1 mm -61.4 140.06 19.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 179.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -60.22 -57.63 11.96 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.243 -176.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -73.23 -26.04 71.6 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 121.083 -0.579 . . . . 0.0 112.913 -179.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1112 ' ' GLN . . . . . 0.477 ' NE2' HG21 ' A' 1109 ' ' ILE . 1.2 mp0 -120.2 84.36 33.96 Favored Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 178.185 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -66.47 -20.0 54.6 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.235 2.624 . . . . 0.0 113.201 -173.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -79.27 -14.55 58.96 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.941 0.4 . . . . 0.0 110.572 -178.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -93.85 93.65 8.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.096 0.475 . . . . 0.0 109.884 177.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1116 ' ' LYS . . . . . 0.488 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 0.0 OUTLIER -121.52 166.83 13.59 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.431 -177.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 158.8 -172.35 35.6 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.434 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1118 ' ' VAL . . . . . . . . . . . . . 17.8 t -101.93 116.27 45.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.233 0.539 . . . . 0.0 110.151 178.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1119 ' ' PHE . . . . . 0.438 ' CE1' HG21 ' A' 1094 ' ' ILE . 16.2 p90 -106.08 139.78 20.61 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.587 -176.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1120 ' ' PRO . . . . . 0.66 ' HD2' ' CE1' ' A' 1088 ' ' PHE . 41.4 Cg_endo -72.74 123.4 8.96 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 122.508 2.139 . . . . 0.0 112.699 176.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1121 ' ' VAL . . . . . 0.601 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 68.5 t -60.32 -19.99 19.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 114.812 -1.085 . . . . 0.0 110.568 176.308 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1122 ' ' SER . . . . . 0.536 ' HB2' ' HD1' ' A' 1123 ' ' PHE . 4.6 m -60.19 -27.3 67.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.766 178.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1123 ' ' PHE . . . . . 0.611 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.5 OUTLIER -110.6 3.48 19.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.793 0.33 . . . . 0.0 111.047 -173.613 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 1124 ' ' VAL . . . . . 0.601 ' CG2' ' HA ' ' A' 1121 ' ' VAL . 13.2 m -129.05 168.56 22.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.09 0.471 . . . . 0.0 111.62 -177.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 24.7 t60 -129.4 138.15 51.33 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.548 -0.751 . . . . 0.0 108.988 -178.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1126 ' ' ILE . . . . . 0.586 ' HA ' HG12 ' A' 1072 ' ' VAL . 1.8 mp -82.06 123.22 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.509 0.671 . . . . 0.0 111.722 -172.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 9.7 mp -112.64 88.71 2.89 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.984 0.897 . . . . 0.0 110.858 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1128 ' ' SER . . . . . . . . . . . . . 61.8 m -152.4 22.4 0.63 Allowed 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 114.387 -1.279 . . . . 0.0 108.368 177.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 19.9 t70 . . . . . 0 C--O 1.243 0.753 0 CA-C-N 114.237 -1.347 . . . . 0.0 109.409 -174.94 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 28.4 m . . . . . 0 N--CA 1.479 0.985 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B 1579 ' ' ILE . . . . . 0.43 ' HA ' ' HG3' ' A' 1090 ' ' GLU . 33.0 mt -64.68 127.53 25.64 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.371 0 CA-C-O 121.256 0.55 . . . . 0.0 110.324 178.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1580 ' ' ILE . . . . . 0.535 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.7 mp -80.74 108.39 14.05 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.639 175.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1581 ' ' SER . . . . . . . . . . . . . 39.1 m 61.02 -154.52 0.36 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.333 0.587 . . . . 0.0 112.067 171.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -88.98 161.37 16.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.344 171.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1583 ' ' MET . . . . . 0.598 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 4.5 ttm -68.36 138.95 91.81 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -173.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1584 ' ' PRO . . . . . 0.766 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 78.6 Cg_endo -84.8 -175.72 2.19 Favored 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 123.492 2.795 . . . . 0.0 111.326 175.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1585 ' ' THR . . . . . . . . . . . . . 27.3 m -111.9 132.27 54.84 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 -179.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1586 ' ' LYS . . . . . 0.55 ' HE2' ' HB2' ' A' 1081 ' ' ASP . 2.5 tmmt? -59.79 103.05 0.18 Allowed 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 175.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1587 ' ' SER . . . . . . . . . . . . . 15.6 t -74.26 4.14 6.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.785 -1.098 . . . . 0.0 113.723 -164.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1588 ' ' SER . . . . . . . . . . . . . 25.1 m 68.35 141.43 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.05 0.452 . . . . 0.0 111.617 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B 1589 ' ' ARG . . . . . 0.497 ' HG2' ' CE2' ' A' 1104 ' ' TRP . 2.7 mtm180 -85.31 133.76 34.14 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 173.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1590 ' ' LYS . . . . . 0.698 ' HG2' ' OD2' ' A' 1101 ' ' ASP . 27.2 mmtt -78.6 -13.15 59.97 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 -176.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.327 177.637 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 45.6 t . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 120.679 0.276 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 1070 ' ' ARG . . . . . 0.643 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 29.2 ttm180 -96.49 137.1 36.08 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1071 ' ' ARG . . . . . 0.533 ' HB3' ' HB2' ' A' 1127 ' ' LEU . 37.9 ttt180 -127.83 142.53 51.26 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -174.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1072 ' ' VAL . . . . . 0.574 HG12 ' HA ' ' A' 1126 ' ' ILE . 29.3 m -136.46 144.66 32.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.028 0.442 . . . . 0.0 110.454 175.048 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1073 ' ' LYS . . . . . 0.672 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.1 OUTLIER -111.6 128.17 55.96 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 177.546 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1074 ' ' THR . . . . . 0.576 ' HA ' HG12 ' A' 1124 ' ' VAL . 42.4 p -70.85 118.29 13.44 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.479 0.657 . . . . 0.0 110.283 -177.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1075 ' ' ILE . . . . . 0.65 HG13 ' CD2' ' A' 1076 ' ' TYR . 14.8 pt -101.48 -4.19 9.31 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.375 -177.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1076 ' ' TYR . . . . . 0.778 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 97.5 m-85 -139.61 175.38 9.62 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.05 177.658 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1077 ' ' ASP . . . . . 0.52 ' HA ' ' HA ' ' A' 1089 ' ' ILE . 7.0 m-20 -108.92 109.38 20.45 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.51 177.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1078 ' ' CYS . . . . . 0.655 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 32.6 t -121.34 147.86 45.12 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.873 0.368 . . . . 0.0 110.522 -177.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1079 ' ' GLN . . . . . 0.657 ' HA ' HG23 ' A' 1087 ' ' THR . 19.4 tt0 -124.37 141.78 51.81 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.777 0.798 . . . . 0.0 111.75 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1080 ' ' ALA . . . . . 0.489 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -76.01 139.11 41.32 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.339 -1.301 . . . . 0.0 111.481 -177.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -84.27 -41.47 16.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.689 176.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 15.6 m120 -119.55 -174.96 2.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.664 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -70.48 -17.92 62.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.106 0.479 . . . . 0.0 110.743 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1084 ' ' ASP . . . . . 0.516 ' HB2' ' OE2' ' A' 1085 ' ' GLU . 10.1 m-20 -72.1 -36.71 69.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.081 -174.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . 0.516 ' OE2' ' HB2' ' A' 1084 ' ' ASP . 5.8 mp0 -86.5 159.62 19.24 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.608 -172.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . 0.444 HD12 ' CA ' ' A' 1116 ' ' LYS . 8.8 tt -108.81 116.36 31.84 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.275 -178.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . 0.657 HG23 ' HA ' ' A' 1079 ' ' GLN . 57.6 m -78.36 125.08 28.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.237 176.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1088 ' ' PHE . . . . . 0.739 ' HE2' ' HD2' ' A' 1120 ' ' PRO . 48.6 p90 -140.17 139.9 35.8 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.268 -178.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1089 ' ' ILE . . . . . 0.69 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -109.55 159.92 8.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 176.511 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -56.92 125.59 23.25 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 123.626 0.579 . . . . 0.0 110.407 -174.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 116.6 -13.74 15.19 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 121.053 -0.594 . . . . 0.0 112.277 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -76.44 154.21 34.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.119 0.485 . . . . 0.0 110.809 178.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1093 ' ' VAL . . . . . 0.544 HG22 ' HG2' ' A' 1073 ' ' LYS . 61.1 t -123.6 124.5 69.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 177.034 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1094 ' ' ILE . . . . . 0.749 HG12 HD13 ' A' 1109 ' ' ILE . 20.2 mt -115.56 132.89 63.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 120.958 0.409 . . . . 0.0 110.83 -174.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1095 ' ' ILE . . . . . 0.433 HD13 ' HG3' ' A' 1071 ' ' ARG . 48.0 mm -89.98 111.13 22.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 172.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1096 ' ' VAL . . . . . 0.643 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 48.9 t -74.47 113.74 13.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.671 -177.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 17.4 p -105.91 -8.34 17.71 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -177.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -164.61 -178.84 38.32 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.387 -0.911 . . . . 0.0 112.879 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -143.78 140.42 29.9 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1100 ' ' GLU . . . . . 0.58 ' HG2' HD11 ' A' 1106 ' ' ILE . 58.2 mm-40 -116.58 -52.47 2.56 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.603 0.716 . . . . 0.0 109.565 177.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1101 ' ' ASP . . . . . 0.728 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 19.6 t70 -122.26 174.74 6.79 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 114.523 -1.217 . . . . 0.0 108.265 178.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 23.0 tt0 -66.2 -39.1 89.42 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-O 121.414 0.625 . . . . 0.0 109.505 175.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -105.89 12.17 30.98 Favored 'General case' 0 N--CA 1.445 -0.677 0 CA-C-N 115.41 -0.813 . . . . 0.0 111.169 -175.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1104 ' ' TRP . . . . . 0.728 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 71.9 m95 -141.55 107.39 5.13 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 47.1 m0 -111.58 171.13 7.67 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.723 0.297 . . . . 0.0 110.881 -176.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1106 ' ' ILE . . . . . 0.705 HG12 HG22 ' A' 1118 ' ' VAL . 55.4 mt -115.93 138.38 46.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.962 -178.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -173.47 -169.69 36.13 Favored Glycine 0 N--CA 1.441 -0.987 0 C-N-CA 119.924 -1.132 . . . . 0.0 112.593 176.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1108 ' ' HIS . . . . . 0.546 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 19.7 p-80 -142.55 148.73 38.06 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.749 HD13 HG12 ' A' 1094 ' ' ILE . 41.2 mm -62.88 137.21 24.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.063 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -53.04 -62.5 1.62 Allowed 'General case' 0 C--N 1.322 -0.616 0 O-C-N 123.252 0.345 . . . . 0.0 111.666 -173.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -84.11 -0.01 89.5 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.49 -178.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -132.12 79.2 67.25 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-O 120.86 0.362 . . . . 0.0 110.303 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.91 -6.41 18.04 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 123.24 2.627 . . . . 0.0 112.79 -177.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -83.7 -21.62 32.3 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.148 0.499 . . . . 0.0 109.756 178.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -92.04 92.65 8.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.983 177.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1116 ' ' LYS . . . . . 0.546 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 0.0 OUTLIER -133.29 153.54 51.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.719 0.295 . . . . 0.0 110.732 178.356 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 160.42 -164.96 34.76 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1118 ' ' VAL . . . . . 0.705 HG22 HG12 ' A' 1106 ' ' ILE . 11.8 t -100.45 129.51 51.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.907 0.384 . . . . 0.0 110.624 179.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1119 ' ' PHE . . . . . 0.542 ' HB2' ' CE2' ' A' 1088 ' ' PHE . 27.3 p90 -127.38 147.35 61.83 Favored Pre-proline 0 C--N 1.319 -0.719 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.323 -175.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1120 ' ' PRO . . . . . 0.739 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 57.7 Cg_endo -76.18 128.64 10.71 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.595 2.197 . . . . 0.0 112.62 179.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1121 ' ' VAL . . . . . 0.563 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 87.4 t -66.66 -18.23 23.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.513 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.45 -25.29 68.2 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.875 179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1123 ' ' PHE . . . . . 0.655 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.5 OUTLIER -109.35 2.49 20.75 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.0 0.428 . . . . 0.0 110.97 -174.566 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.576 HG12 ' HA ' ' A' 1074 ' ' THR . 10.6 m -126.85 164.41 27.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.973 0.415 . . . . 0.0 111.097 -179.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1125 ' ' HIS . . . . . 0.4 ' HB2' HD13 ' A' 1075 ' ' ILE . 62.1 t60 -123.11 128.47 50.14 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.937 -178.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1126 ' ' ILE . . . . . 0.574 ' HA ' HG12 ' A' 1072 ' ' VAL . 1.8 mp -70.07 123.97 25.08 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.4 -177.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . 0.672 HD11 ' HB2' ' A' 1073 ' ' LYS . 66.5 mt -98.41 54.29 1.07 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.447 -177.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 14.8 t -118.13 20.01 13.36 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 172.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 20.6 t70 . . . . . 0 C--O 1.25 1.101 0 CA-C-N 114.519 -1.219 . . . . 0.0 109.973 -175.899 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 39.5 m . . . . . 0 N--CA 1.476 0.842 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 16.9 mt -68.44 130.37 33.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.106 0.479 . . . . 0.0 110.242 176.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1580 ' ' ILE . . . . . 0.489 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.6 mp -81.92 131.54 33.58 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.479 175.163 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 6.3 t 46.59 -142.67 0.36 Allowed 'General case' 0 C--O 1.239 0.511 0 O-C-N 123.782 0.676 . . . . 0.0 112.103 174.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -106.78 152.14 24.24 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.064 -0.971 . . . . 0.0 108.764 169.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1583 ' ' MET . . . . . 0.444 ' HA ' ' CE1' ' A' 1076 ' ' TYR . 3.1 ttm -54.17 132.41 60.26 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -175.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1584 ' ' PRO . . . . . 0.778 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 88.9 Cg_endo -83.21 -176.12 2.68 Favored 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 123.189 2.593 . . . . 0.0 111.055 177.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 6.0 m -109.13 132.56 54.0 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.03 -176.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1586 ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -59.97 107.96 0.7 Allowed 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 172.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 9.2 p -67.6 -4.81 12.9 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.814 -171.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1588 ' ' SER . . . . . . . . . . . . . 68.2 m 66.8 116.88 0.03 OUTLIER 'General case' 0 CA--C 1.52 -0.206 0 O-C-N 123.848 0.718 . . . . 0.0 110.038 -173.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1589 ' ' ARG . . . . . 0.55 ' HB3' ' HG2' ' B' 1592 ' ' LYS . 39.4 ttp85 -66.87 104.59 1.38 Allowed 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.164 -174.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1590 ' ' LYS . . . . . 0.872 ' HD2' ' H ' ' B' 1590 ' ' LYS . 0.0 OUTLIER -59.49 -31.69 69.58 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.74 -176.867 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -60.4 -40.17 90.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.548 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1592 ' ' LYS . . . . . 0.55 ' HG2' ' HB3' ' B' 1589 ' ' ARG . 17.7 ptmt -96.5 144.7 26.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.108 0.48 . . . . 0.0 110.765 -174.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1593 ' ' LYS . . . . . 0.422 ' HA ' ' HD3' ' B' 1594 ' ' PRO . 13.5 mptt -109.45 136.73 20.2 Favored Pre-proline 0 C--N 1.319 -0.739 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 176.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1594 ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' B' 1593 ' ' LYS . 25.3 Cg_exo -63.56 93.29 0.17 Allowed 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.749 2.299 . . . . 0.0 111.641 178.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . -58.43 114.68 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.05 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 16.1 mm100 . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.484 -0.77 . . . . 0.0 109.686 179.768 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 34.7 m . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 1070 ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' 1070 ' ' ARG . 14.2 ttm180 -93.54 124.22 37.38 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 174.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1071 ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' 1071 ' ' ARG . 32.4 ttt180 -113.87 136.07 53.28 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.998 -172.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1072 ' ' VAL . . . . . 0.614 HG12 ' HA ' ' A' 1126 ' ' ILE . 33.1 m -127.52 152.36 35.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.056 0.455 . . . . 0.0 110.672 178.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1073 ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.58 132.98 55.42 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.542 -0.911 . . . . 0.0 108.542 179.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1074 ' ' THR . . . . . 0.542 ' HA ' HG12 ' A' 1124 ' ' VAL . 61.8 p -76.08 124.89 28.13 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.174 0.512 . . . . 0.0 110.629 -176.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1075 ' ' ILE . . . . . 0.575 HG13 ' CD2' ' A' 1076 ' ' TYR . 17.4 pt -104.04 -3.49 9.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.363 0.601 . . . . 0.0 110.468 -177.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1076 ' ' TYR . . . . . 0.859 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 90.3 m-85 -139.21 172.82 12.27 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.936 178.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1077 ' ' ASP . . . . . 0.406 ' OD1' ' HB ' ' A' 1089 ' ' ILE . 23.2 m-20 -104.24 110.48 22.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.327 -0.852 . . . . 0.0 109.435 176.101 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1078 ' ' CYS . . . . . 0.548 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 25.1 t -122.02 152.06 40.16 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.888 0.375 . . . . 0.0 110.634 -176.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1079 ' ' GLN . . . . . 0.563 ' HA ' HG23 ' A' 1087 ' ' THR . 42.0 tt0 -134.6 144.52 47.95 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.008 178.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1080 ' ' ALA . . . . . . . . . . . . . . . -60.61 132.96 55.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 114.725 -1.125 . . . . 0.0 112.373 -175.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 18.9 t70 -79.17 -46.52 17.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.615 176.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -112.51 -170.28 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.175 -0.921 . . . . 0.0 108.822 175.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 17.0 t70 -74.45 -26.06 59.82 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 121.123 0.487 . . . . 0.0 110.73 177.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 32.1 t70 -82.3 -22.33 35.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.992 -172.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -76.43 160.54 29.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.981 0.419 . . . . 0.0 110.866 179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . 0.49 ' HB3' ' HB3' ' A' 1119 ' ' PHE . 17.0 tp -98.14 142.44 29.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.13 -179.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . 0.563 HG23 ' HA ' ' A' 1079 ' ' GLN . 91.1 m -107.49 119.07 38.39 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.516 -0.549 . . . . 0.0 109.516 172.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1088 ' ' PHE . . . . . 0.582 ' CE1' ' HD2' ' A' 1120 ' ' PRO . 21.6 p90 -141.31 137.59 32.54 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.503 -175.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1089 ' ' ILE . . . . . 0.701 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -106.65 157.97 6.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.416 -176.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1090 ' ' GLU . . . . . 0.657 ' HG3' HG12 ' B' 1579 ' ' ILE . 2.1 tm-20 -57.48 128.02 34.96 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 123.357 0.411 . . . . 0.0 110.241 -176.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 104.6 -1.46 42.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.771 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -89.92 161.23 16.02 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 -179.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 64.4 t -126.8 128.54 71.0 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.945 -177.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1094 ' ' ILE . . . . . 0.537 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 19.2 mt -116.87 132.02 67.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.986 0.422 . . . . 0.0 110.486 -176.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 49.7 mm -90.53 114.68 28.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 172.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 39.2 t -75.68 116.93 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.864 0.364 . . . . 0.0 110.419 -176.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1097 ' ' THR . . . . . 0.466 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 21.0 p -103.45 -19.34 14.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.975 -179.172 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -162.85 -171.62 29.29 Favored Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.62 -179.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1099 ' ' GLU . . . . . 0.428 ' HA ' ' HA ' ' A' 1105 ' ' TRP . 2.3 tm-20 -156.51 135.77 12.12 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 -177.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -120.83 -33.18 3.83 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.367 0.603 . . . . 0.0 109.949 -177.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1101 ' ' ASP . . . . . 0.822 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 10.1 t70 -127.74 168.57 14.91 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 177.406 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -64.24 -39.22 93.52 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 121.512 0.672 . . . . 0.0 109.455 176.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -113.24 18.95 17.5 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.757 -174.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1104 ' ' TRP . . . . . 0.822 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 59.8 m95 -142.24 109.15 5.45 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.785 177.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1105 ' ' TRP . . . . . 0.428 ' HA ' ' HA ' ' A' 1099 ' ' GLU . 45.8 m0 -112.01 165.94 11.67 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.011 0.434 . . . . 0.0 110.997 -175.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1106 ' ' ILE . . . . . 0.637 HG12 HG22 ' A' 1118 ' ' VAL . 55.4 mt -115.86 135.4 56.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.706 -176.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . 0.466 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -177.17 -164.51 30.99 Favored Glycine 0 N--CA 1.439 -1.117 0 C-N-CA 120.118 -1.039 . . . . 0.0 112.176 178.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1108 ' ' HIS . . . . . 0.492 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 14.1 p-80 -142.94 151.44 40.94 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 -178.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.836 ' HB ' ' HB2' ' A' 1112 ' ' GLN . 30.0 mm -65.12 135.43 28.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.245 0.545 . . . . 0.0 109.578 178.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -61.27 -38.5 86.95 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.939 -1.028 . . . . 0.0 112.047 -174.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -98.4 -0.12 58.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.938 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1112 ' ' GLN . . . . . 0.836 ' HB2' ' HB ' ' A' 1109 ' ' ILE . 35.0 mt-30 -134.74 73.44 67.1 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -178.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -60.97 -32.04 92.02 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 123.056 2.504 . . . . 0.0 113.3 -170.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -80.47 -8.01 59.38 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.131 0.491 . . . . 0.0 110.687 -178.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1115 ' ' ARG . . . . . 0.45 ' HD2' ' OE1' ' A' 1112 ' ' GLN . 89.6 mtt180 -94.73 90.02 5.93 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 174.262 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1116 ' ' LYS . . . . . 0.492 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 0.0 OUTLIER -126.33 156.3 40.66 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.861 179.195 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 167.56 -167.01 39.7 Favored Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 -179.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1118 ' ' VAL . . . . . 0.637 HG22 HG12 ' A' 1106 ' ' ILE . 11.7 t -100.98 117.69 46.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.135 0.493 . . . . 0.0 110.454 179.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1119 ' ' PHE . . . . . 0.49 ' HB3' ' HB3' ' A' 1086 ' ' LEU . 22.2 p90 -110.34 142.0 25.1 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.403 -177.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1120 ' ' PRO . . . . . 0.582 ' HD2' ' CE1' ' A' 1088 ' ' PHE . 55.5 Cg_endo -74.03 129.32 13.13 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.566 2.177 . . . . 0.0 112.213 176.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1121 ' ' VAL . . . . . 0.56 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 61.1 t -66.42 -14.73 18.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.681 0.753 . . . . 0.0 109.84 177.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1122 ' ' SER . . . . . 0.596 ' OG ' ' HB2' ' B' 1587 ' ' SER . 1.1 m -61.22 -27.43 68.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.986 178.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1123 ' ' PHE . . . . . 0.561 ' HD1' ' HB2' ' A' 1122 ' ' SER . 0.9 OUTLIER -111.4 3.02 17.87 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.101 0.477 . . . . 0.0 110.931 -174.464 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.56 ' CG2' ' HA ' ' A' 1121 ' ' VAL . 17.5 m -129.09 171.97 16.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.08 0.467 . . . . 0.0 111.092 -178.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 19.8 t60 -136.0 138.84 42.65 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1126 ' ' ILE . . . . . 0.614 ' HA ' HG12 ' A' 1072 ' ' VAL . 2.6 mp -84.26 127.65 39.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.047 0.451 . . . . 0.0 111.144 -175.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 9.8 mp -102.1 100.19 10.4 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.641 0.734 . . . . 0.0 110.214 177.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 12.8 p -109.87 32.1 5.34 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.289 176.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 29.7 t70 . . . . . 0 C--O 1.246 0.921 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.224 -174.879 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 75.5 m . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B 1579 ' ' ILE . . . . . 0.657 HG12 ' HG3' ' A' 1090 ' ' GLU . 12.4 mt -78.47 127.4 38.78 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.394 0 CA-C-O 121.057 0.456 . . . . 0.0 110.085 176.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1580 ' ' ILE . . . . . 0.4 ' O ' ' CE1' ' A' 1076 ' ' TYR . 1.7 mp -84.75 120.06 34.67 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.247 175.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 10.8 t 56.61 -154.75 0.33 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.476 0.655 . . . . 0.0 111.97 169.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -96.28 161.4 13.96 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 170.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1583 ' ' MET . . . . . 0.483 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 1.0 OUTLIER -55.47 134.73 70.51 Favored Pre-proline 0 C--N 1.325 -0.48 0 N-CA-C 112.559 0.578 . . . . 0.0 112.559 -174.655 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B 1584 ' ' PRO . . . . . 0.859 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 64.7 Cg_endo -85.04 -176.03 2.25 Favored 'Trans proline' 0 N--CA 1.451 -1.016 0 C-N-CA 123.099 2.532 . . . . 0.0 110.935 177.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 10.9 m -104.76 136.46 44.23 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 -178.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1586 ' ' LYS . . . . . 0.411 ' HB2' ' HE3' ' B' 1586 ' ' LYS . 20.7 ttmt -50.64 115.24 1.39 Allowed 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 172.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1587 ' ' SER . . . . . 0.596 ' HB2' ' OG ' ' A' 1122 ' ' SER . 24.2 t -58.93 -16.16 16.41 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 123.713 0.633 . . . . 0.0 112.365 -171.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1588 ' ' SER . . . . . . . . . . . . . 66.8 m 62.7 95.88 0.04 OUTLIER 'General case' 0 C--O 1.232 0.134 0 CA-C-O 121.311 0.577 . . . . 0.0 110.029 -175.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1589 ' ' ARG . . . . . 0.734 ' HB3' ' HG2' ' B' 1592 ' ' LYS . 11.5 ttp180 -57.9 124.94 20.95 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.327 -0.851 . . . . 0.0 110.372 -174.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1590 ' ' LYS . . . . . 0.683 ' HD2' ' H ' ' B' 1590 ' ' LYS . 0.0 OUTLIER -74.8 -6.55 49.6 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.684 0.754 . . . . 0.0 109.421 -177.462 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -119.97 39.25 3.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.884 -1.053 . . . . 0.0 109.515 170.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1592 ' ' LYS . . . . . 0.734 ' HG2' ' HB3' ' B' 1589 ' ' ARG . 4.6 mmmt -60.65 131.57 51.14 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.607 -178.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1593 ' ' LYS . . . . . 0.637 ' HD3' HH21 ' B' 1589 ' ' ARG . 33.7 mtpt -104.2 103.6 39.39 Favored Pre-proline 0 N--CA 1.446 -0.667 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.322 177.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1594 ' ' PRO . . . . . . . . . . . . . 89.4 Cg_endo -88.88 44.64 0.81 Allowed 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 123.089 2.526 . . . . 0.0 111.834 -178.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . -79.62 165.67 22.67 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.258 -176.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 117.866 -1.064 . . . . 0.0 111.009 178.254 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 61.2 t . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 120.905 0.383 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A 1070 ' ' ARG . . . . . 0.541 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 38.7 ttm180 -118.11 140.68 49.42 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1071 ' ' ARG . . . . . 0.443 HH11 ' HD2' ' A' 1071 ' ' ARG . 41.9 ttm105 -137.53 130.34 30.15 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.864 0.364 . . . . 0.0 111.055 -178.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1072 ' ' VAL . . . . . 0.564 HG12 ' HA ' ' A' 1126 ' ' ILE . 33.4 m -118.4 152.99 20.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.272 176.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1073 ' ' LYS . . . . . 0.425 ' HB2' HD22 ' A' 1127 ' ' LEU . 0.1 OUTLIER -118.33 133.07 56.2 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.054 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1074 ' ' THR . . . . . 0.567 ' HA ' HG12 ' A' 1124 ' ' VAL . 66.0 p -76.32 125.47 29.24 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 -175.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1075 ' ' ILE . . . . . 0.475 ' O ' ' HA ' ' B' 1579 ' ' ILE . 15.4 pt -100.73 -1.26 9.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.772 0.796 . . . . 0.0 109.582 179.272 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1076 ' ' TYR . . . . . 0.757 ' CE1' ' HA ' ' B' 1583 ' ' MET . 26.1 m-85 -144.97 175.72 10.01 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.02 -1.446 . . . . 0.0 110.262 -179.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1077 ' ' ASP . . . . . 0.476 ' HB2' HG22 ' A' 1089 ' ' ILE . 2.0 p-10 -118.48 125.72 50.5 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 175.078 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1078 ' ' CYS . . . . . 0.666 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 49.0 t -133.39 145.31 50.21 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.379 -175.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1079 ' ' GLN . . . . . 0.626 ' HA ' HG23 ' A' 1087 ' ' THR . 44.4 tt0 -122.48 144.93 48.76 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.192 -177.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1080 ' ' ALA . . . . . 0.428 ' HA ' ' HB3' ' A' 1085 ' ' GLU . . . -45.29 128.41 7.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.397 -1.274 . . . . 0.0 113.21 -173.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 29.5 t70 -74.93 -50.99 14.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.269 -1.332 . . . . 0.0 109.136 174.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1082 ' ' ASN . . . . . 0.443 ' HA ' HD22 ' A' 1082 ' ' ASN . 7.7 m120 -129.89 -168.24 1.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.369 -0.832 . . . . 0.0 109.602 171.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 38.7 t70 -62.24 -33.19 74.11 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -177.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 16.0 t70 -83.8 -11.07 57.58 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 120.935 0.397 . . . . 0.0 111.966 -173.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . 0.428 ' HB3' ' HA ' ' A' 1080 ' ' ALA . 10.4 mp0 -79.35 152.76 30.25 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.226 0.536 . . . . 0.0 111.311 178.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . 0.444 HD12 ' C ' ' A' 1116 ' ' LYS . 6.8 tt -107.57 124.08 49.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.951 -178.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . 0.626 HG23 ' HA ' ' A' 1079 ' ' GLN . 60.3 m -85.05 128.52 34.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.763 176.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1088 ' ' PHE . . . . . 0.619 ' HE2' ' HD2' ' A' 1120 ' ' PRO . 13.6 p90 -137.99 158.31 44.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.119 178.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1089 ' ' ILE . . . . . 0.517 HD12 ' HB2' ' A' 1092 ' ' GLU . 1.7 pp -123.0 153.68 28.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.388 178.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1090 ' ' GLU . . . . . 0.67 ' HG3' HG12 ' B' 1579 ' ' ILE . 2.4 tm-20 -56.12 123.87 15.93 Favored 'General case' 0 C--N 1.329 -0.286 0 O-C-N 123.257 0.348 . . . . 0.0 110.197 -177.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 107.18 -1.51 35.19 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.882 -178.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1092 ' ' GLU . . . . . 0.517 ' HB2' HD12 ' A' 1089 ' ' ILE . 3.2 tp10 -84.92 160.1 20.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.024 0.44 . . . . 0.0 110.063 178.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 98.4 t -126.04 118.16 50.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.146 -176.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1094 ' ' ILE . . . . . 0.572 HG12 HD13 ' A' 1109 ' ' ILE . 17.4 mt -112.06 128.15 68.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.181 0.515 . . . . 0.0 110.93 -175.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1095 ' ' ILE . . . . . 0.4 HD11 ' OE2' ' A' 1110 ' ' GLU . 43.4 mm -87.93 115.04 27.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 172.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1096 ' ' VAL . . . . . 0.541 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 17.8 t -82.32 128.96 38.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 110.211 -0.292 . . . . 0.0 110.211 -175.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 14.2 p -106.16 -20.33 13.44 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.297 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -172.77 -171.4 37.51 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.494 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -135.13 157.24 47.42 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 179.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1100 ' ' GLU . . . . . 0.462 ' CD ' HH21 ' B' 1589 ' ' ARG . 31.5 tt0 -131.1 -36.6 1.31 Allowed 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.737 0.78 . . . . 0.0 109.035 173.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1101 ' ' ASP . . . . . 0.656 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 29.3 t70 -128.71 171.17 12.46 Favored 'General case' 0 C--N 1.314 -0.967 0 N-CA-C 107.914 -1.143 . . . . 0.0 107.914 173.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -69.57 -30.87 68.75 Favored 'General case' 0 C--N 1.312 -1.053 0 CA-C-O 121.676 0.751 . . . . 0.0 109.457 175.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -110.32 5.08 21.35 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.107 -0.951 . . . . 0.0 110.96 -174.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1104 ' ' TRP . . . . . 0.656 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 78.3 m95 -137.29 106.09 5.91 Favored 'General case' 0 C--O 1.242 0.659 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.478 177.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1105 ' ' TRP . . . . . 0.44 ' CZ3' ' HD3' ' A' 1070 ' ' ARG . 44.6 m0 -106.67 166.62 10.44 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.04 -177.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1106 ' ' ILE . . . . . 0.795 HG12 HG22 ' A' 1118 ' ' VAL . 36.6 mt -116.77 135.26 57.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.551 -0.749 . . . . 0.0 110.171 -175.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -177.88 -165.12 32.31 Favored Glycine 0 N--CA 1.442 -0.959 0 C-N-CA 119.913 -1.137 . . . . 0.0 112.867 177.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1108 ' ' HIS . . . . . 0.548 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 10.8 p-80 -145.52 148.55 33.34 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -178.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.616 ' HB ' ' HB2' ' A' 1112 ' ' GLN . 36.3 mm -63.5 134.8 28.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.135 -179.117 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . 0.4 ' OE2' HD11 ' A' 1095 ' ' ILE . 37.3 tt0 -56.82 -57.01 14.35 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 -171.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -82.81 -9.69 84.16 Favored Glycine 0 CA--C 1.517 0.214 0 C-N-CA 120.955 -0.64 . . . . 0.0 112.61 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1112 ' ' GLN . . . . . 0.616 ' HB2' ' HB ' ' A' 1109 ' ' ILE . 18.9 mp0 -121.1 74.86 29.08 Favored Pre-proline 0 C--N 1.324 -0.503 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 178.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -63.85 -26.27 67.42 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 123.101 2.534 . . . . 0.0 113.603 -169.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -83.1 -6.59 59.54 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.811 0.339 . . . . 0.0 111.261 -177.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 74.0 mtt-85 -94.5 91.71 6.75 Favored 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 174.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1116 ' ' LYS . . . . . 0.548 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 0.2 OUTLIER -131.3 161.56 32.05 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.698 -178.618 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 156.85 -160.83 30.63 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -177.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1118 ' ' VAL . . . . . 0.795 HG22 HG12 ' A' 1106 ' ' ILE . 39.8 t -106.61 133.12 52.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.896 0.379 . . . . 0.0 110.401 178.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1119 ' ' PHE . . . . . 0.585 ' HB2' ' HE2' ' A' 1088 ' ' PHE . 26.7 p90 -128.84 149.42 72.24 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.392 -175.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1120 ' ' PRO . . . . . 0.619 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 85.1 Cg_endo -80.61 127.93 6.64 Favored 'Trans proline' 0 C--N 1.348 0.531 0 C-N-CA 122.692 2.261 . . . . 0.0 112.97 -178.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1121 ' ' VAL . . . . . 0.592 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 59.8 t -65.93 -15.87 19.61 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.25 177.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1122 ' ' SER . . . . . 0.587 ' HB2' ' HD1' ' A' 1123 ' ' PHE . 1.1 m -60.85 -31.32 70.77 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.414 -0.812 . . . . 0.0 112.021 179.235 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1123 ' ' PHE . . . . . 0.666 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.4 OUTLIER -108.4 4.6 24.56 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 121.057 0.456 . . . . 0.0 110.402 -174.407 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.592 ' CG2' ' HA ' ' A' 1121 ' ' VAL . 27.1 m -130.57 174.46 12.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.038 0.447 . . . . 0.0 111.684 -177.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -137.7 142.97 41.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.374 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1126 ' ' ILE . . . . . 0.564 ' HA ' HG12 ' A' 1072 ' ' VAL . 1.9 mp -83.32 123.5 38.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.708 -177.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . 0.425 HD22 ' HB2' ' A' 1073 ' ' LYS . 11.1 mp -109.73 -72.56 0.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.044 178.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 46.0 m 50.45 41.74 25.41 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.756 -175.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 C--O 1.248 1.004 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.045 -179.734 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 76.0 m . . . . . 0 N--CA 1.476 0.872 0 CA-C-O 120.911 0.386 . . . . 0.0 110.818 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B 1579 ' ' ILE . . . . . 0.67 HG12 ' HG3' ' A' 1090 ' ' GLU . 59.5 mt -78.34 132.41 32.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.569 178.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1580 ' ' ILE . . . . . 0.528 ' O ' HG22 ' B' 1580 ' ' ILE . 1.6 mp -89.67 102.19 12.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.046 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 16.4 m 75.41 -148.54 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.59 0.756 . . . . 0.0 111.401 -176.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -117.81 151.73 36.75 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 177.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1583 ' ' MET . . . . . 0.757 ' HA ' ' CE1' ' A' 1076 ' ' TYR . 29.0 ttm -41.13 126.41 2.09 Favored Pre-proline 0 N--CA 1.472 0.663 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -165.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1584 ' ' PRO . . . . . 0.666 ' HD3' ' CZ ' ' A' 1076 ' ' TYR . 73.0 Cg_endo -80.46 -175.81 2.88 Favored 'Trans proline' 0 N--CA 1.445 -1.375 0 C-N-CA 123.174 2.582 . . . . 0.0 110.309 177.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 34.4 m -109.77 138.04 46.71 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -176.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1586 ' ' LYS . . . . . 0.414 ' C ' ' H ' ' B' 1588 ' ' SER . 22.8 ttmt -59.59 102.38 0.14 Allowed 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 174.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 23.4 t -70.04 5.7 1.52 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.948 -170.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1588 ' ' SER . . . . . 0.414 ' H ' ' C ' ' B' 1586 ' ' LYS . 22.6 t 67.83 140.63 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 122.069 0.938 . . . . 0.0 110.591 -177.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1589 ' ' ARG . . . . . 0.614 ' O ' ' HG2' ' B' 1592 ' ' LYS . 44.7 ttt180 -87.53 107.12 18.43 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 115.161 -0.927 . . . . 0.0 108.766 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1590 ' ' LYS . . . . . 0.506 ' HD2' ' H ' ' B' 1590 ' ' LYS . 5.9 mptt -69.88 -9.65 55.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.239 -168.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -91.18 -8.04 49.72 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.192 177.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1592 ' ' LYS . . . . . 0.614 ' HG2' ' O ' ' B' 1589 ' ' ARG . 20.5 ptmt -114.75 147.42 39.77 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 110.259 -178.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1593 ' ' LYS . . . . . . . . . . . . . 91.8 mttt -104.55 128.13 27.56 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 116.309 -0.405 . . . . 0.0 109.97 174.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1594 ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -73.59 64.84 4.71 Favored 'Trans proline' 0 C--O 1.234 0.288 0 C-N-CA 122.71 2.273 . . . . 0.0 111.806 177.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . -80.0 39.46 0.44 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.583 -177.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 . . . . . 0 C--O 1.244 0.814 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 177.033 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 42.1 t . . . . . 0 N--CA 1.477 0.902 0 CA-C-O 120.887 0.375 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 1070 ' ' ARG . . . . . 0.459 ' HD3' ' CZ3' ' A' 1105 ' ' TRP . 42.8 ttm180 -91.05 138.05 31.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.225 -178.247 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -137.26 144.74 42.88 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.596 -177.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1072 ' ' VAL . . . . . 0.562 HG12 ' HA ' ' A' 1126 ' ' ILE . 28.9 m -128.1 155.0 39.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.173 175.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1073 ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' 1074 ' ' THR . 0.6 OUTLIER -118.59 132.53 56.2 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 175.743 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1074 ' ' THR . . . . . 0.597 ' HA ' HG12 ' A' 1124 ' ' VAL . 65.4 p -71.93 118.52 14.88 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.165 0.507 . . . . 0.0 110.504 -177.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1075 ' ' ILE . . . . . 0.546 HG13 ' CD2' ' A' 1076 ' ' TYR . 19.6 pt -97.49 -9.14 9.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.145 -177.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1076 ' ' TYR . . . . . 0.803 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 96.8 m-85 -138.49 175.79 9.26 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.825 177.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1077 ' ' ASP . . . . . 0.507 ' HA ' ' HA ' ' A' 1089 ' ' ILE . 8.0 m-20 -103.75 119.44 38.91 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.922 -1.035 . . . . 0.0 108.564 173.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1078 ' ' CYS . . . . . 0.671 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 52.1 t -129.07 137.15 51.1 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.832 0.349 . . . . 0.0 110.671 -178.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1079 ' ' GLN . . . . . 0.608 ' HA ' HG23 ' A' 1087 ' ' THR . 50.7 tt0 -117.88 142.87 46.85 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.568 0.699 . . . . 0.0 111.101 176.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1080 ' ' ALA . . . . . 0.774 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -88.97 166.76 13.7 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.366 -1.288 . . . . 0.0 111.846 -174.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -104.73 -33.26 8.52 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.195 173.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 40.4 t-20 -111.22 146.04 37.65 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.279 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 35.7 t70 -63.14 -19.18 64.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.192 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 19.0 t70 -74.07 -23.73 59.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.255 0.55 . . . . 0.0 110.532 177.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . 0.774 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 41.6 mt-10 -90.11 156.64 18.22 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.044 -177.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . 0.559 ' HB3' ' HB3' ' A' 1119 ' ' PHE . 11.7 tp -97.3 122.07 39.92 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.82 0.343 . . . . 0.0 111.836 -172.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . 0.608 HG23 ' HA ' ' A' 1079 ' ' GLN . 98.5 m -94.66 119.46 33.33 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 171.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1088 ' ' PHE . . . . . 0.676 ' HE2' ' HD2' ' A' 1120 ' ' PRO . 17.0 p90 -136.69 158.89 43.4 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.82 -175.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1089 ' ' ILE . . . . . 0.664 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -122.97 157.32 28.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 176.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -55.71 123.69 14.97 Favored 'General case' 0 C--O 1.237 0.413 0 O-C-N 123.457 0.473 . . . . 0.0 110.324 -176.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 116.65 -6.3 18.37 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.457 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1092 ' ' GLU . . . . . 0.419 ' HG2' HD13 ' A' 1089 ' ' ILE . 18.9 mm-40 -84.21 154.32 23.11 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.297 0.57 . . . . 0.0 111.295 177.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 97.5 t -121.46 116.92 51.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.849 -177.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1094 ' ' ILE . . . . . 0.591 HG12 HD13 ' A' 1109 ' ' ILE . 9.6 mt -111.04 128.83 67.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 120.902 0.382 . . . . 0.0 110.822 -174.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 42.5 mm -88.2 120.35 37.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 172.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 43.4 t -80.66 116.8 25.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-O 120.971 0.415 . . . . 0.0 110.389 -176.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1097 ' ' THR . . . . . 0.503 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 21.5 p -103.33 -17.06 15.45 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.01 -179.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -163.51 -171.82 30.22 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.785 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -157.29 137.53 12.75 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 -176.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1100 ' ' GLU . . . . . 0.402 ' CD ' HH21 ' B' 1589 ' ' ARG . 34.9 tt0 -125.81 -36.48 2.39 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.595 0.712 . . . . 0.0 109.627 -177.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1101 ' ' ASP . . . . . 0.715 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 20.7 t70 -123.88 168.32 12.93 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 173.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -71.01 -27.96 64.06 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 122.038 0.923 . . . . 0.0 108.635 177.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 48.3 tt0 -113.83 9.25 17.57 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 113.882 -1.508 . . . . 0.0 110.969 -175.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1104 ' ' TRP . . . . . 0.715 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 71.3 m95 -140.12 106.64 5.32 Favored 'General case' 0 C--O 1.24 0.592 0 CA-C-O 121.289 0.566 . . . . 0.0 110.366 176.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1105 ' ' TRP . . . . . 0.459 ' CZ3' ' HD3' ' A' 1070 ' ' ARG . 45.8 m0 -108.16 164.64 12.13 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.906 -176.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1106 ' ' ILE . . . . . 0.636 HG12 HG22 ' A' 1118 ' ' VAL . 46.2 mt -116.27 137.65 49.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.052 -177.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . 0.503 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -177.06 -159.62 22.63 Favored Glycine 0 N--CA 1.435 -1.381 0 C-N-CA 120.287 -0.958 . . . . 0.0 112.157 177.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 20.0 p-80 -148.08 150.71 34.38 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.96 ' HB ' ' HB2' ' A' 1112 ' ' GLN . 32.5 mm -65.8 132.95 31.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -55.02 -51.19 67.06 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -169.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -90.37 2.06 80.36 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.415 -179.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1112 ' ' GLN . . . . . 0.96 ' HB2' ' HB ' ' A' 1109 ' ' ILE . 40.7 mt-30 -126.45 72.33 72.78 Favored Pre-proline 0 C--N 1.325 -0.464 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -64.94 -26.84 58.68 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.841 2.36 . . . . 0.0 113.303 -169.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -79.05 -15.68 57.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.779 0.323 . . . . 0.0 110.995 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1115 ' ' ARG . . . . . 0.554 ' HD2' ' OE1' ' A' 1112 ' ' GLN . 99.5 mtt180 -93.69 89.66 6.29 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 177.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1116 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.52 170.25 9.86 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.491 176.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 154.73 -171.82 33.12 Favored Glycine 0 N--CA 1.441 -1.003 0 C-N-CA 120.646 -0.788 . . . . 0.0 111.948 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1118 ' ' VAL . . . . . 0.636 HG22 HG12 ' A' 1106 ' ' ILE . 12.9 t -100.9 117.27 45.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.063 0.459 . . . . 0.0 110.367 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1119 ' ' PHE . . . . . 0.559 ' HB3' ' HB3' ' A' 1086 ' ' LEU . 19.6 p90 -109.88 143.41 27.86 Favored Pre-proline 0 C--N 1.319 -0.724 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.51 -176.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1120 ' ' PRO . . . . . 0.676 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 71.3 Cg_endo -77.57 127.14 8.69 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 122.603 2.202 . . . . 0.0 112.455 178.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1121 ' ' VAL . . . . . 0.597 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 61.6 t -66.12 -15.97 19.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.175 178.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1122 ' ' SER . . . . . 0.501 ' HB2' ' HD1' ' A' 1123 ' ' PHE . 3.0 m -61.8 -25.99 67.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.677 178.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1123 ' ' PHE . . . . . 0.671 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.8 OUTLIER -115.11 4.56 14.66 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 121.066 0.46 . . . . 0.0 110.869 -175.216 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.597 ' CG2' ' HA ' ' A' 1121 ' ' VAL . 20.5 m -131.2 160.72 42.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.764 -178.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 19.4 t60 -128.48 136.96 51.53 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -178.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1126 ' ' ILE . . . . . 0.562 ' HA ' HG12 ' A' 1072 ' ' VAL . 2.1 mp -75.2 124.47 33.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.021 -175.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 2.8 mp -89.22 -26.2 21.34 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.786 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 12.3 m -72.84 74.49 1.14 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.251 176.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 29.8 t70 . . . . . 0 C--O 1.247 0.923 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.892 -175.23 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 39.9 m . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 21.6 mt -68.34 126.38 28.08 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.405 0 CA-C-O 120.946 0.403 . . . . 0.0 110.14 176.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1580 ' ' ILE . . . . . 0.42 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.7 mp -78.23 114.03 18.28 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 174.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 75.7 m 55.62 -152.82 0.35 Allowed 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 170.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -91.3 158.32 16.63 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.848 173.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1583 ' ' MET . . . . . 0.627 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 2.1 ttm -59.84 137.83 90.36 Favored Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -174.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1584 ' ' PRO . . . . . 0.803 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 53.6 Cg_endo -88.69 -175.61 1.28 Allowed 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 123.592 2.861 . . . . 0.0 111.071 177.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 19.8 m -115.56 137.54 51.97 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 -177.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1586 ' ' LYS . . . . . . . . . . . . . 24.5 ttmt -55.05 103.53 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 172.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 24.4 t -77.75 24.9 0.21 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.931 -169.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1588 ' ' SER . . . . . . . . . . . . . 44.2 m 63.27 125.88 0.01 OUTLIER 'General case' 0 C--O 1.233 0.215 0 CA-C-O 122.072 0.939 . . . . 0.0 112.301 178.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1589 ' ' ARG . . . . . 0.627 ' O ' ' HG2' ' B' 1592 ' ' LYS . 63.3 ttt180 -78.01 107.77 10.8 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 174.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1590 ' ' LYS . . . . . 0.409 ' HB2' ' OD1' ' A' 1101 ' ' ASP . 35.2 mttp -77.99 -12.56 60.0 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.999 -168.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -88.31 -13.51 40.61 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.773 177.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1592 ' ' LYS . . . . . 0.627 ' HG2' ' O ' ' B' 1589 ' ' ARG . 20.7 ptmt -103.24 136.54 42.84 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 175.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1593 ' ' LYS . . . . . . . . . . . . . 63.0 mttp -106.01 122.71 41.47 Favored Pre-proline 0 C--N 1.313 -0.99 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.18 177.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1594 ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -66.12 84.8 0.26 Allowed 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.787 2.324 . . . . 0.0 111.731 178.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . -74.94 69.55 1.9 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.614 177.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 13.9 mm100 . . . . . 0 C--N 1.315 -0.915 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.151 -178.562 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 26.1 t . . . . . 0 N--CA 1.479 0.977 0 CA-C-O 120.79 0.328 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 34.1 ttp180 -138.98 112.11 7.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.253 0.549 . . . . 0.0 110.849 -179.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1071 ' ' ARG . . . . . 0.605 ' HG2' HD13 ' A' 1095 ' ' ILE . 85.2 mtm180 -116.21 171.26 7.93 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.855 176.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1072 ' ' VAL . . . . . 0.633 HG12 ' HA ' ' A' 1126 ' ' ILE . 17.8 m -140.62 142.68 30.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 171.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1073 ' ' LYS . . . . . 0.756 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.2 OUTLIER -109.56 131.23 55.26 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.603 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1074 ' ' THR . . . . . 0.689 ' HA ' HG12 ' A' 1124 ' ' VAL . 64.8 p -73.32 111.74 8.73 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.638 0.732 . . . . 0.0 110.082 -178.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1075 ' ' ILE . . . . . 0.605 HG13 ' CD2' ' A' 1076 ' ' TYR . 13.6 pt -93.69 -6.72 10.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.444 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1076 ' ' TYR . . . . . 0.749 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 96.0 m-85 -138.06 174.13 10.89 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 113.918 -1.492 . . . . 0.0 110.126 176.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1077 ' ' ASP . . . . . 0.495 ' HB2' HG22 ' A' 1089 ' ' ILE . 6.9 p-10 -107.1 129.49 54.82 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.121 172.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1078 ' ' CYS . . . . . 0.795 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 45.6 t -138.98 140.16 38.13 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 121.054 0.454 . . . . 0.0 110.517 -178.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1079 ' ' GLN . . . . . 0.645 ' HA ' HG23 ' A' 1087 ' ' THR . 2.0 mp0 -108.43 175.92 5.3 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.339 178.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1080 ' ' ALA . . . . . 0.512 ' HA ' ' HG2' ' A' 1085 ' ' GLU . . . -44.25 142.79 1.39 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 113.938 -1.483 . . . . 0.0 114.634 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 26.2 t0 -110.03 -19.26 13.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.44 170.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1082 ' ' ASN . . . . . 0.557 ' HB2' ' HD2' ' B' 1592 ' ' LYS . 3.5 t-20 -159.43 -166.84 1.88 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.418 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 18.4 t70 -69.22 -39.51 78.53 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.892 0.377 . . . . 0.0 111.551 -177.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 28.3 p-10 -103.63 77.4 1.48 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.645 0.736 . . . . 0.0 111.242 -174.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . 0.512 ' HG2' ' HA ' ' A' 1080 ' ' ALA . 0.0 OUTLIER -134.76 -173.92 3.44 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-O 121.43 0.633 . . . . 0.0 112.085 -178.202 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . 0.506 HD12 ' HA ' ' A' 1116 ' ' LYS . 5.9 tt -131.82 104.92 7.15 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.059 -0.973 . . . . 0.0 108.986 172.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . 0.645 HG23 ' HA ' ' A' 1079 ' ' GLN . 29.9 m -79.91 133.99 36.26 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.846 178.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1088 ' ' PHE . . . . . 0.651 ' HE2' ' HB2' ' A' 1119 ' ' PHE . 7.4 p90 -145.82 164.01 33.24 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.381 0.61 . . . . 0.0 111.954 -174.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1089 ' ' ILE . . . . . 0.589 HD12 ' HG2' ' A' 1092 ' ' GLU . 1.8 pp -129.38 161.75 38.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.333 -0.848 . . . . 0.0 110.077 176.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -55.1 124.28 16.35 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 123.546 0.529 . . . . 0.0 110.567 -178.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 116.7 -13.67 14.95 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.209 178.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1092 ' ' GLU . . . . . 0.589 ' HG2' HD12 ' A' 1089 ' ' ILE . 62.9 mm-40 -73.75 152.06 40.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.364 0.602 . . . . 0.0 110.975 177.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1093 ' ' VAL . . . . . 0.529 HG22 ' HG2' ' A' 1073 ' ' LYS . 58.5 t -127.34 125.64 66.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.575 179.259 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1094 ' ' ILE . . . . . 0.664 HG12 HD13 ' A' 1109 ' ' ILE . 18.4 mt -119.08 136.34 56.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.151 0.5 . . . . 0.0 112.115 -171.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1095 ' ' ILE . . . . . 0.605 HD13 ' HG2' ' A' 1071 ' ' ARG . 16.6 mm -84.81 116.6 28.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 170.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 27.5 t -77.97 110.04 13.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1097 ' ' THR . . . . . 0.576 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 17.1 p -100.3 -16.27 17.75 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.312 -177.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -167.43 -175.37 37.32 Favored Glycine 0 N--CA 1.444 -0.818 0 C-N-CA 120.362 -0.923 . . . . 0.0 112.872 179.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1099 ' ' GLU . . . . . 0.417 ' HG3' ' CD1' ' A' 1105 ' ' TRP . 16.7 tt0 -143.48 144.63 32.07 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 -179.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -122.91 -50.61 1.93 Allowed 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 176.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1101 ' ' ASP . . . . . 0.776 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 23.7 t70 -117.5 168.69 10.15 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 176.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -59.34 -41.01 88.2 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 121.327 0.584 . . . . 0.0 109.967 177.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -111.06 16.04 21.34 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.649 -173.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1104 ' ' TRP . . . . . 0.776 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 75.9 m95 -140.36 104.5 4.8 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.284 0.564 . . . . 0.0 110.55 177.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1105 ' ' TRP . . . . . 0.417 ' CD1' ' HG3' ' A' 1099 ' ' GLU . 45.2 m0 -107.56 166.74 10.45 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.517 -177.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 53.9 mt -116.36 137.5 49.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.834 -174.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . 0.576 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -176.72 -166.62 34.08 Favored Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 119.418 -1.372 . . . . 0.0 113.494 177.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1108 ' ' HIS . . . . . 0.603 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 16.3 p-80 -143.02 149.49 38.34 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.664 HD13 HG12 ' A' 1094 ' ' ILE . 50.9 mm -58.01 138.38 19.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 123.202 0.314 . . . . 0.0 110.305 -179.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . 0.508 ' HA ' HG12 ' A' 1095 ' ' ILE . 16.1 tt0 -48.2 -56.48 7.82 Favored 'General case' 0 N--CA 1.463 0.201 0 O-C-N 123.619 0.575 . . . . 0.0 111.695 -171.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -102.14 25.68 26.93 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.886 -0.673 . . . . 0.0 112.354 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1112 ' ' GLN . . . . . 0.471 ' HB3' ' HB ' ' A' 1109 ' ' ILE . 0.4 OUTLIER -147.72 81.59 8.39 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.096 0.474 . . . . 0.0 110.049 -178.828 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -70.62 -7.62 21.74 Favored 'Trans proline' 0 CA--C 1.531 0.33 0 C-N-CA 123.519 2.812 . . . . 0.0 112.967 -177.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -87.26 -19.06 28.84 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.355 0.598 . . . . 0.0 109.878 178.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1115 ' ' ARG . . . . . 0.426 ' O ' ' HA ' ' A' 1108 ' ' HIS . 97.2 mtt180 -93.06 95.15 9.27 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.024 174.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1116 ' ' LYS . . . . . 0.603 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 0.0 OUTLIER -141.86 145.46 34.66 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.129 0.49 . . . . 0.0 112.063 -179.338 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1117 ' ' GLY . . . . . 0.424 ' HA3' ' O ' ' A' 1085 ' ' GLU . . . 168.41 -161.99 35.74 Favored Glycine 0 N--CA 1.446 -0.641 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.483 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1118 ' ' VAL . . . . . 0.483 ' H ' ' HA ' ' A' 1085 ' ' GLU . 2.6 t -99.34 129.21 50.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 179.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1119 ' ' PHE . . . . . 0.651 ' HB2' ' HE2' ' A' 1088 ' ' PHE . 22.9 p90 -126.09 146.79 57.02 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.987 -177.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1120 ' ' PRO . . . . . 0.533 ' HG3' ' SG ' ' A' 1078 ' ' CYS . 72.3 Cg_endo -78.67 128.29 8.51 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.52 2.146 . . . . 0.0 112.342 -179.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1121 ' ' VAL . . . . . 0.588 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 57.7 t -66.5 -16.69 21.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.215 179.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1122 ' ' SER . . . . . 0.428 ' HB2' ' CD1' ' A' 1123 ' ' PHE . 0.0 OUTLIER -63.36 -27.37 69.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.757 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1123 ' ' PHE . . . . . 0.795 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.5 OUTLIER -109.77 3.9 21.27 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.289 0.566 . . . . 0.0 110.72 -174.717 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.689 HG12 ' HA ' ' A' 1074 ' ' THR . 12.4 m -129.12 169.41 20.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.505 -179.449 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 72.2 t60 -132.57 135.42 45.92 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1126 ' ' ILE . . . . . 0.633 ' HA ' HG12 ' A' 1072 ' ' VAL . 1.9 mp -76.66 134.57 28.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.427 0.632 . . . . 0.0 111.988 -173.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . 0.756 HD11 ' HB2' ' A' 1073 ' ' LYS . 33.9 mt -126.28 86.92 2.59 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.893 -1.049 . . . . 0.0 109.647 178.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 20.1 m -85.95 0.95 51.91 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.951 0.881 . . . . 0.0 109.657 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 5.9 m-20 . . . . . 0 C--O 1.249 1.03 0 CA-C-N 114.086 -1.415 . . . . 0.0 108.769 175.903 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 57.8 m . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 6.8 mt -67.18 125.94 25.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.128 0.489 . . . . 0.0 110.061 174.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1580 ' ' ILE . . . . . 0.439 HG22 ' OH ' ' A' 1076 ' ' TYR . 1.6 mp -76.68 132.76 32.33 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.198 175.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 6.2 t 44.55 -138.59 0.39 Allowed 'General case' 0 CA--C 1.539 0.529 0 CA-C-O 121.497 0.665 . . . . 0.0 112.717 172.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -111.87 152.05 28.4 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.361 -0.836 . . . . 0.0 108.822 171.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1583 ' ' MET . . . . . 0.455 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 3.6 ttm -50.83 133.43 28.51 Favored Pre-proline 0 C--N 1.328 -0.339 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 -173.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1584 ' ' PRO . . . . . 0.749 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 95.2 Cg_endo -83.49 -176.04 2.58 Favored 'Trans proline' 0 N--CA 1.449 -1.134 0 C-N-CA 123.295 2.664 . . . . 0.0 110.413 175.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 7.5 m -105.71 128.25 53.56 Favored 'General case' 0 C--N 1.308 -1.198 0 C-N-CA 120.692 -0.403 . . . . 0.0 109.935 -177.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1586 ' ' LYS . . . . . 0.426 ' C ' ' H ' ' B' 1588 ' ' SER . 4.0 tmmt? -63.43 97.12 0.13 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 170.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 13.3 m -72.42 21.0 0.07 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.286 -0.87 . . . . 0.0 113.133 -166.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1588 ' ' SER . . . . . 0.426 ' H ' ' C ' ' B' 1586 ' ' LYS . 17.3 m 65.08 125.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 123.854 0.721 . . . . 0.0 111.046 -178.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1589 ' ' ARG . . . . . 0.644 ' HB3' ' HG3' ' B' 1592 ' ' LYS . 16.4 ttt180 -73.31 105.54 4.75 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-O 121.558 0.694 . . . . 0.0 109.442 176.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1590 ' ' LYS . . . . . . . . . . . . . 33.0 mttm -76.53 -6.96 54.11 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.327 -1.306 . . . . 0.0 111.665 -165.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -126.63 31.38 5.35 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.731 177.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1592 ' ' LYS . . . . . 0.644 ' HG3' ' HB3' ' B' 1589 ' ' ARG . 28.6 mtmm -51.1 106.69 0.14 Allowed 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -177.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1593 ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -87.71 161.34 45.09 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.508 177.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1594 ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -86.56 52.94 2.85 Favored 'Trans proline' 0 N--CA 1.454 -0.833 0 C-N-CA 122.256 1.971 . . . . 0.0 110.68 168.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . 64.73 73.42 0.42 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.927 -174.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.321 -0.847 . . . . 0.0 110.306 -179.912 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . 0.783 HG23 ' H ' ' A' 1070 ' ' ARG . 2.3 m . . . . . 0 N--CA 1.479 0.991 0 CA-C-O 120.596 0.236 . . . . 0.0 111.423 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1070 ' ' ARG . . . . . 0.783 ' H ' HG23 ' A' 1069 ' ' VAL . 26.9 ttm180 -133.09 131.12 40.19 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -178.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1071 ' ' ARG . . . . . 0.47 ' HG2' HD13 ' A' 1095 ' ' ILE . 65.8 mtt85 -113.29 150.0 33.11 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.935 0.398 . . . . 0.0 111.303 178.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1072 ' ' VAL . . . . . 0.6 HG12 ' HA ' ' A' 1126 ' ' ILE . 29.1 m -135.08 136.85 51.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.272 169.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1073 ' ' LYS . . . . . 0.752 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.1 OUTLIER -105.25 134.85 47.68 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.674 -0.862 . . . . 0.0 108.674 178.138 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1074 ' ' THR . . . . . 0.588 ' HA ' HG12 ' A' 1124 ' ' VAL . 70.5 p -75.51 118.5 18.44 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 121.231 0.539 . . . . 0.0 110.266 -177.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1075 ' ' ILE . . . . . 0.624 HG13 ' CD2' ' A' 1076 ' ' TYR . 21.4 pt -98.14 -7.73 9.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.967 0.889 . . . . 0.0 109.291 179.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1076 ' ' TYR . . . . . 0.772 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 96.6 m-85 -136.93 176.41 8.73 Favored 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 113.721 -1.581 . . . . 0.0 109.278 176.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -115.26 131.19 57.01 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 173.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1078 ' ' CYS . . . . . 0.756 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 36.7 t -139.12 147.92 42.57 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.794 -175.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1079 ' ' GLN . . . . . 0.553 ' HG2' HG23 ' A' 1087 ' ' THR . 83.6 mt-30 -119.74 155.75 31.87 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.469 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1080 ' ' ALA . . . . . . . . . . . . . . . -59.97 128.57 37.53 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 114.588 -1.187 . . . . 0.0 112.238 -173.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1081 ' ' ASP . . . . . 0.413 ' H ' ' HG3' ' A' 1085 ' ' GLU . 36.8 t70 -77.51 -23.59 50.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.085 -0.961 . . . . 0.0 110.013 177.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1082 ' ' ASN . . . . . 0.408 ' H ' ' HG2' ' A' 1085 ' ' GLU . 2.9 t-20 -150.58 -174.96 4.92 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.777 -1.101 . . . . 0.0 108.976 -173.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -69.09 -38.98 79.28 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -175.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -94.32 17.23 13.21 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -171.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . 0.413 ' HG3' ' H ' ' A' 1081 ' ' ASP . 11.0 mm-40 -89.54 -173.7 4.06 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 176.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . 0.444 HD12 ' CA ' ' A' 1116 ' ' LYS . 8.0 tt -132.56 118.41 19.19 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.072 0.463 . . . . 0.0 110.702 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . 0.553 HG23 ' HG2' ' A' 1079 ' ' GLN . 96.7 m -81.62 136.75 35.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.453 177.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1088 ' ' PHE . . . . . 0.616 ' HE2' ' HB2' ' A' 1119 ' ' PHE . 20.8 p90 -147.67 154.75 41.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.617 0.246 . . . . 0.0 110.953 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1089 ' ' ILE . . . . . 0.66 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -121.64 154.49 25.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 110.228 -0.286 . . . . 0.0 110.228 179.644 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1090 ' ' GLU . . . . . 0.515 ' HG3' HG12 ' B' 1579 ' ' ILE . 2.2 tm-20 -54.96 124.64 17.37 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.348 0.405 . . . . 0.0 110.816 -177.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 108.55 -1.06 32.46 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.727 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1092 ' ' GLU . . . . . 0.536 ' HG3' HD12 ' A' 1109 ' ' ILE . 5.5 tp10 -93.17 161.4 14.44 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.938 0.399 . . . . 0.0 110.07 -178.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1093 ' ' VAL . . . . . 0.429 HG22 ' HG2' ' A' 1073 ' ' LYS . 69.6 t -127.1 126.44 68.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.819 -175.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1094 ' ' ILE . . . . . 0.542 HG12 HD13 ' A' 1109 ' ' ILE . 13.8 mt -116.51 131.39 69.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.001 0.429 . . . . 0.0 110.831 -177.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1095 ' ' ILE . . . . . 0.47 HD13 ' HG2' ' A' 1071 ' ' ARG . 43.9 mm -89.4 113.11 25.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 174.077 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1096 ' ' VAL . . . . . 0.544 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 42.9 t -77.14 110.95 13.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.085 0.469 . . . . 0.0 110.612 -177.193 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1097 ' ' THR . . . . . 0.469 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 11.1 p -101.59 -13.28 17.91 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.569 -0.742 . . . . 0.0 111.124 -177.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -166.7 -176.25 37.59 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.529 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -146.05 148.74 32.99 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 -179.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -130.03 -45.16 1.15 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.458 0.647 . . . . 0.0 109.421 175.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1101 ' ' ASP . . . . . 0.591 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 13.4 t70 -114.59 177.18 4.74 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 176.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -74.53 -36.66 63.15 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 172.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1103 ' ' GLU . . . . . 0.587 ' OE1' ' HB2' ' B' 1587 ' ' SER . 21.9 tt0 -102.96 2.39 35.0 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 114.364 -1.289 . . . . 0.0 110.601 -174.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1104 ' ' TRP . . . . . 0.591 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 74.3 m95 -136.15 108.72 7.44 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.446 0.641 . . . . 0.0 110.9 179.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 46.9 m0 -109.7 167.99 9.74 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.364 -178.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1106 ' ' ILE . . . . . 0.63 HG12 HG22 ' A' 1118 ' ' VAL . 57.2 mt -116.09 136.16 53.91 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.965 0 CA-C-N 115.905 -0.588 . . . . 0.0 109.608 -177.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . 0.469 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -172.64 -162.67 25.16 Favored Glycine 0 N--CA 1.436 -1.36 0 C-N-CA 119.776 -1.202 . . . . 0.0 112.426 178.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 26.8 p-80 -147.93 143.22 27.19 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -177.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.542 HD13 HG12 ' A' 1094 ' ' ILE . 30.1 mm -58.62 136.67 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 177.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -71.14 -39.92 71.67 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.038 -175.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -71.15 -41.61 59.79 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.23 178.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1112 ' ' GLN . . . . . 0.515 ' HG2' HG21 ' A' 1109 ' ' ILE . 4.3 pt20 -125.37 80.55 65.19 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-O 122.219 1.009 . . . . 0.0 109.885 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1113 ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' 1112 ' ' GLN . 24.1 Cg_endo -61.37 -13.28 28.02 Favored 'Trans proline' 0 N--CA 1.472 0.234 0 C-N-CA 123.955 3.104 . . . . 0.0 114.115 -171.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -80.95 -11.02 59.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.98 0.419 . . . . 0.0 110.238 -178.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 65.2 mtt-85 -90.31 98.22 11.65 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 169.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1116 ' ' LYS . . . . . 0.65 ' HD3' ' H ' ' A' 1116 ' ' LYS . 0.0 OUTLIER -129.85 159.5 36.39 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.081 -179.472 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 156.61 -162.97 31.9 Favored Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 111.422 -0.671 . . . . 0.0 111.422 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1118 ' ' VAL . . . . . 0.63 HG22 HG12 ' A' 1106 ' ' ILE . 4.7 t -101.21 130.65 50.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.965 0.412 . . . . 0.0 110.613 -179.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1119 ' ' PHE . . . . . 0.616 ' HB2' ' HE2' ' A' 1088 ' ' PHE . 28.8 p90 -126.88 146.1 56.17 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.192 -176.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1120 ' ' PRO . . . . . 0.555 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 42.9 Cg_endo -75.06 120.36 6.02 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 122.668 2.245 . . . . 0.0 112.601 179.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1121 ' ' VAL . . . . . 0.555 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 81.3 t -61.79 -18.22 18.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.364 177.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 8.3 t -62.28 -25.17 67.7 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.326 -0.852 . . . . 0.0 111.572 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1123 ' ' PHE . . . . . 0.756 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.5 OUTLIER -109.09 1.3 20.36 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.209 0.528 . . . . 0.0 111.123 -174.758 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.588 HG12 ' HA ' ' A' 1074 ' ' THR . 16.2 m -128.17 171.51 16.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.044 -177.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 33.3 t60 -133.85 131.86 39.7 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.173 0.511 . . . . 0.0 110.345 178.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1126 ' ' ILE . . . . . 0.6 ' HA ' HG12 ' A' 1072 ' ' VAL . 1.8 mp -68.71 135.61 28.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.847 -177.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . 0.752 HD11 ' HB2' ' A' 1073 ' ' LYS . 32.1 mt -114.55 52.04 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.461 -177.073 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 32.5 p -92.01 5.62 49.46 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.736 0.779 . . . . 0.0 110.098 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 22.3 t70 . . . . . 0 C--O 1.25 1.111 0 CA-C-N 114.71 -1.132 . . . . 0.0 109.361 -179.59 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 73.3 m . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B 1579 ' ' ILE . . . . . 0.515 HG12 ' HG3' ' A' 1090 ' ' GLU . 10.2 mt -66.67 122.59 17.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-O 121.013 0.435 . . . . 0.0 110.594 179.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1580 ' ' ILE . . . . . 0.417 HD13 ' HB ' ' A' 1075 ' ' ILE . 1.6 mp -76.06 126.36 36.69 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.16 174.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 49.5 m 51.07 -143.51 0.63 Allowed 'General case' 0 C--N 1.323 -0.575 0 O-C-N 123.589 0.555 . . . . 0.0 112.188 172.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -108.78 160.7 15.76 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 168.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1583 ' ' MET . . . . . 0.593 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 2.2 ttm -52.07 137.65 36.99 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -172.627 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1584 ' ' PRO . . . . . 0.772 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 60.4 Cg_endo -87.9 -176.55 1.7 Allowed 'Trans proline' 0 N--CA 1.451 -1.001 0 C-N-CA 123.481 2.787 . . . . 0.0 110.57 176.125 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 7.2 m -105.22 134.0 49.06 Favored 'General case' 0 C--N 1.312 -1.032 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.744 -175.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1586 ' ' LYS . . . . . 0.406 ' C ' ' H ' ' B' 1588 ' ' SER . 20.9 ttmt -68.37 93.05 0.45 Allowed 'General case' 0 N--CA 1.445 -0.676 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 167.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1587 ' ' SER . . . . . 0.587 ' HB2' ' OE1' ' A' 1103 ' ' GLU . 2.9 m -77.19 24.89 0.17 Allowed 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.978 -167.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1588 ' ' SER . . . . . 0.406 ' H ' ' C ' ' B' 1586 ' ' LYS . 46.0 m 65.2 134.36 0.02 OUTLIER 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.724 0.773 . . . . 0.0 111.355 -178.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1589 ' ' ARG . . . . . 0.498 ' HA ' ' CD1' ' A' 1104 ' ' TRP . 6.9 ttt180 -76.55 101.05 5.51 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.661 0.744 . . . . 0.0 109.189 176.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1590 ' ' LYS . . . . . . . . . . . . . 14.9 mtmm -71.79 -25.31 61.96 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.325 -1.307 . . . . 0.0 111.742 -169.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -76.23 -13.78 60.16 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.706 179.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1592 ' ' LYS . . . . . 0.425 ' HG2' ' HB3' ' B' 1589 ' ' ARG . 12.5 ptmt -113.19 148.13 36.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.012 0.434 . . . . 0.0 110.218 178.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1593 ' ' LYS . . . . . 0.437 ' HA ' ' HD2' ' B' 1594 ' ' PRO . 67.4 mttm -109.2 125.03 32.38 Favored Pre-proline 0 C--N 1.318 -0.78 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.248 -179.095 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1594 ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' B' 1593 ' ' LYS . 22.6 Cg_endo -63.13 89.45 0.13 Allowed 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 122.248 1.965 . . . . 0.0 110.468 170.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . -47.16 141.58 4.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.438 -176.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 . . . . . 0 C--O 1.25 1.093 0 CA-C-O 118.64 -0.695 . . . . 0.0 109.555 -179.019 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 14.2 m . . . . . 0 N--CA 1.482 1.153 0 CA-C-O 121.051 0.453 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 1070 ' ' ARG . . . . . 0.517 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 44.1 ttm180 -130.22 149.21 52.02 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 175.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1071 ' ' ARG . . . . . 0.56 ' HD2' HD23 ' A' 1127 ' ' LEU . 31.1 ttm180 -123.57 146.95 47.75 Favored 'General case' 0 N--CA 1.447 -0.588 0 C-N-CA 120.154 -0.618 . . . . 0.0 109.729 -178.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1072 ' ' VAL . . . . . 0.604 HG12 ' HA ' ' A' 1126 ' ' ILE . 27.0 m -132.64 145.47 34.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 173.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1073 ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' 1074 ' ' THR . 0.4 OUTLIER -111.93 131.62 55.26 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 177.402 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1074 ' ' THR . . . . . 0.593 ' HA ' HG12 ' A' 1124 ' ' VAL . 49.4 p -74.86 123.87 25.83 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.169 0.509 . . . . 0.0 110.584 -175.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1075 ' ' ILE . . . . . 0.657 HG13 ' CD2' ' A' 1076 ' ' TYR . 23.9 pt -102.02 -3.27 9.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-O 121.396 0.617 . . . . 0.0 110.776 -178.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1076 ' ' TYR . . . . . 0.785 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 95.5 m-85 -139.33 173.97 11.0 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.169 178.292 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1077 ' ' ASP . . . . . 0.4 ' HA ' ' HA ' ' A' 1089 ' ' ILE . 22.4 m-20 -106.27 105.1 14.97 Favored 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 177.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1078 ' ' CYS . . . . . 0.64 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 44.5 t -117.74 152.44 35.26 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 121.017 0.437 . . . . 0.0 110.644 -174.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1079 ' ' GLN . . . . . 0.585 ' HA ' HG23 ' A' 1087 ' ' THR . 29.6 tt0 -132.18 148.86 52.49 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.518 178.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1080 ' ' ALA . . . . . 0.423 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -68.01 136.15 53.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.795 -179.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.77 -42.87 11.66 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 177.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1082 ' ' ASN . . . . . 0.456 ' HB3' ' HZ3' ' B' 1592 ' ' LYS . 7.7 t-20 -109.46 -174.53 2.52 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.764 176.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 18.4 t70 -74.63 -39.37 62.15 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.709 0.633 . . . . 0.0 112.709 -172.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -87.05 14.26 7.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.986 0.422 . . . . 0.0 111.769 -170.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . 0.423 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 93.1 mt-10 -105.0 164.17 11.99 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.658 0.266 . . . . 0.0 110.489 -178.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . 0.572 ' HB3' ' HB3' ' A' 1119 ' ' PHE . 12.7 tp -101.26 130.62 47.43 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.016 0.436 . . . . 0.0 111.951 -172.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . 0.585 HG23 ' HA ' ' A' 1079 ' ' GLN . 60.2 m -98.71 116.92 32.01 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 170.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1088 ' ' PHE . . . . . 0.528 ' HE1' ' HD2' ' A' 1120 ' ' PRO . 25.6 p90 -139.56 136.79 34.81 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.964 0.412 . . . . 0.0 110.609 -175.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1089 ' ' ILE . . . . . 0.545 HD12 ' HB2' ' A' 1092 ' ' GLU . 1.8 pp -101.43 160.53 3.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.35 -178.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1090 ' ' GLU . . . . . 0.41 ' HG3' ' HA ' ' B' 1579 ' ' ILE . 2.9 tm-20 -60.5 127.36 31.32 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -177.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 105.18 -1.52 40.62 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.613 -0.803 . . . . 0.0 111.9 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1092 ' ' GLU . . . . . 0.545 ' HB2' HD12 ' A' 1089 ' ' ILE . 3.9 tp10 -85.02 160.89 19.93 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.118 0.485 . . . . 0.0 110.174 179.029 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 96.6 t -128.02 120.25 53.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.326 -175.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1094 ' ' ILE . . . . . 0.542 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 10.0 mt -113.84 133.58 59.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.968 0.413 . . . . 0.0 110.956 -176.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 47.8 mm -92.5 116.62 34.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 173.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1096 ' ' VAL . . . . . 0.517 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 48.1 t -79.98 114.66 21.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.968 0.413 . . . . 0.0 110.508 -176.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1097 ' ' THR . . . . . 0.522 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 7.8 p -102.47 -19.77 14.78 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.275 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -158.76 -174.77 28.9 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.492 -0.861 . . . . 0.0 113.034 -178.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1099 ' ' GLU . . . . . 0.485 ' HG3' ' CD1' ' A' 1105 ' ' TRP . 15.2 tt0 -153.71 131.76 11.78 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 -177.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -117.81 -34.63 4.14 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.129 0.49 . . . . 0.0 109.927 -177.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1101 ' ' ASP . . . . . 0.604 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 23.8 t70 -134.3 171.47 14.22 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 174.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1102 ' ' GLN . . . . . 0.595 ' HG2' ' N ' ' A' 1103 ' ' GLU . 0.0 OUTLIER -65.8 -34.66 78.68 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 121.489 0.661 . . . . 0.0 109.726 -179.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1103 ' ' GLU . . . . . 0.595 ' N ' ' HG2' ' A' 1102 ' ' GLN . 31.3 tt0 -109.96 9.77 24.35 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.142 -175.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1104 ' ' TRP . . . . . 0.604 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 80.2 m95 -137.89 104.05 5.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.056 0.455 . . . . 0.0 110.713 179.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1105 ' ' TRP . . . . . 0.485 ' CD1' ' HG3' ' A' 1099 ' ' GLU . 44.8 m0 -108.13 164.13 12.57 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.491 -177.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1106 ' ' ILE . . . . . 0.72 HG12 HG22 ' A' 1118 ' ' VAL . 49.4 mt -116.45 136.02 54.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.042 -174.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . 0.522 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -177.34 -161.79 26.48 Favored Glycine 0 N--CA 1.437 -1.234 0 C-N-CA 119.961 -1.114 . . . . 0.0 112.901 177.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 12.4 p-80 -145.56 150.61 36.71 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -178.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.824 ' HB ' ' HB2' ' A' 1112 ' ' GLN . 44.2 mm -66.69 134.06 30.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.681 -178.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -70.64 114.29 8.59 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 178.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 98.1 -9.37 63.38 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.431 -175.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1112 ' ' GLN . . . . . 0.824 ' HB2' ' HB ' ' A' 1109 ' ' ILE . 39.2 mt-30 -133.61 69.09 76.56 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 177.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -71.42 -12.83 30.04 Favored 'Trans proline' 0 C--N 1.343 0.252 0 C-N-CA 123.24 2.627 . . . . 0.0 112.396 -173.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . 0.483 ' HG3' ' HG3' ' A' 1115 ' ' ARG . 13.3 pt-20 -81.54 -16.27 52.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.301 0.572 . . . . 0.0 110.199 177.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1115 ' ' ARG . . . . . 0.483 ' HG3' ' HG3' ' A' 1114 ' ' GLU . 94.7 mtt180 -105.51 90.62 3.47 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.053 -179.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1116 ' ' LYS . . . . . 0.506 ' HD3' ' H ' ' A' 1116 ' ' LYS . 0.0 OUTLIER -125.36 161.26 27.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.451 -178.805 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 161.36 -171.36 37.35 Favored Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 120.589 -0.815 . . . . 0.0 111.923 178.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1118 ' ' VAL . . . . . 0.72 HG22 HG12 ' A' 1106 ' ' ILE . 21.6 t -98.34 121.32 48.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.021 0.438 . . . . 0.0 110.311 178.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1119 ' ' PHE . . . . . 0.572 ' HB3' ' HB3' ' A' 1086 ' ' LEU . 19.2 p90 -114.86 143.22 29.65 Favored Pre-proline 0 C--N 1.319 -0.758 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.695 -176.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1120 ' ' PRO . . . . . 0.528 ' HD2' ' HE1' ' A' 1088 ' ' PHE . 56.3 Cg_endo -74.54 127.19 10.81 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.699 2.266 . . . . 0.0 112.264 176.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1121 ' ' VAL . . . . . 0.56 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 70.8 t -66.47 -16.32 20.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.119 178.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -25.64 67.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.166 179.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1123 ' ' PHE . . . . . 0.64 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.6 OUTLIER -110.25 1.72 18.79 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.052 0.453 . . . . 0.0 111.007 -174.776 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.593 HG12 ' HA ' ' A' 1074 ' ' THR . 16.1 m -125.57 174.97 8.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.365 179.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 20.2 t60 -137.6 135.54 36.71 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1126 ' ' ILE . . . . . 0.604 ' HA ' HG12 ' A' 1072 ' ' VAL . 1.8 mp -67.58 125.3 24.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.787 -175.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . 0.56 HD23 ' HD2' ' A' 1071 ' ' ARG . 6.2 tp -104.77 -62.31 1.35 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.452 -175.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 70.9 m 53.38 65.75 1.43 Allowed 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.551 -178.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . 0.473 ' OD2' ' HG ' ' A' 1127 ' ' LEU . 45.6 m-20 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.842 -0.599 . . . . 0.0 109.988 175.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 64.2 m . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B 1579 ' ' ILE . . . . . 0.41 ' HA ' ' HG3' ' A' 1090 ' ' GLU . 16.7 mt -66.16 122.01 16.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.045 0.45 . . . . 0.0 110.175 179.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1580 ' ' ILE . . . . . 0.504 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.7 mp -75.58 113.52 14.54 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 174.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 48.7 m 56.66 -154.31 0.34 Allowed 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 170.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -91.22 158.16 16.76 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 171.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1583 ' ' MET . . . . . 0.675 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 1.5 ttm -60.19 141.0 90.97 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -173.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1584 ' ' PRO . . . . . 0.785 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 89.1 Cg_endo -86.73 -175.94 1.82 Allowed 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 123.559 2.839 . . . . 0.0 110.955 175.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 23.2 m -111.71 132.47 54.6 Favored 'General case' 0 C--N 1.309 -1.153 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 -176.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1586 ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -61.39 102.03 0.21 Allowed 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 170.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 8.3 t -74.51 7.89 2.65 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.214 -171.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1588 ' ' SER . . . . . . . . . . . . . 51.0 m 65.77 150.11 0.05 OUTLIER 'General case' 0 N--CA 1.453 -0.295 0 CA-C-O 121.923 0.868 . . . . 0.0 110.941 -176.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1589 ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -91.93 112.93 25.06 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.82 -175.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1590 ' ' LYS . . . . . 0.647 ' HD2' ' H ' ' B' 1590 ' ' LYS . 0.1 OUTLIER -60.79 -35.82 77.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.146 -0.934 . . . . 0.0 111.305 -172.078 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -85.2 32.16 0.55 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.3 0.571 . . . . 0.0 110.718 177.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1592 ' ' LYS . . . . . 0.456 ' HZ3' ' HB3' ' A' 1082 ' ' ASN . 25.5 ttmt -146.98 120.01 8.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.908 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1593 ' ' LYS . . . . . . . . . . . . . 94.6 mttt -108.21 106.06 57.84 Favored Pre-proline 0 C--N 1.319 -0.747 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 168.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1594 ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -70.75 74.45 1.73 Allowed 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 123.095 2.53 . . . . 0.0 112.438 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . -75.73 76.81 2.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.202 175.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.547 -0.739 . . . . 0.0 109.535 178.873 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 121.246 0.546 . . . . 0.0 111.265 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 1070 ' ' ARG . . . . . 0.747 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 35.1 ttm-85 -111.87 143.14 43.33 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 175.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1071 ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' 1071 ' ' ARG . 17.8 ttt180 -117.91 128.91 55.27 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.043 0.449 . . . . 0.0 111.016 -176.077 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1072 ' ' VAL . . . . . 0.653 HG12 ' HA ' ' A' 1126 ' ' ILE . 15.1 m -130.17 157.99 42.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.725 177.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1073 ' ' LYS . . . . . 0.655 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.3 OUTLIER -123.13 136.12 54.64 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1074 ' ' THR . . . . . 0.63 ' HA ' HG12 ' A' 1124 ' ' VAL . 60.3 p -74.65 117.59 16.65 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-O 121.332 0.587 . . . . 0.0 110.243 -178.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1075 ' ' ILE . . . . . 0.614 HG13 ' CD2' ' A' 1076 ' ' TYR . 16.0 pt -98.46 0.43 10.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 121.595 0.712 . . . . 0.0 110.137 -178.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1076 ' ' TYR . . . . . 0.797 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 87.8 m-85 -143.15 172.89 12.12 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 114.424 -1.262 . . . . 0.0 110.916 179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 5.3 t70 -104.61 127.57 52.39 Favored 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 174.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1078 ' ' CYS . . . . . 0.651 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 41.1 t -140.15 147.71 40.57 Favored 'General case' 0 C--N 1.303 -1.433 0 CA-C-O 120.965 0.412 . . . . 0.0 110.636 -173.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1079 ' ' GLN . . . . . 0.501 ' HA ' HG23 ' A' 1087 ' ' THR . 29.8 tt0 -133.44 148.6 51.77 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.923 -179.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1080 ' ' ALA . . . . . 0.494 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -60.27 133.82 56.46 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.724 -1.125 . . . . 0.0 112.156 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1081 ' ' ASP . . . . . 0.847 ' HB2' ' HE3' ' B' 1586 ' ' LYS . 21.0 t70 -85.63 -48.65 8.68 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 173.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1082 ' ' ASN . . . . . 0.408 ' O ' ' HB1' ' A' 1080 ' ' ALA . 6.2 t-20 -102.88 -177.41 3.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.331 -0.849 . . . . 0.0 108.905 173.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 17.1 t70 -72.78 -36.25 67.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 118.018 0.372 . . . . 0.0 111.022 -175.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 37.9 t70 -92.99 53.29 1.96 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.61 0.719 . . . . 0.0 110.102 -176.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . 0.494 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 45.5 mt-10 -133.35 153.6 51.45 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.383 174.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . 0.446 HD23 ' HB3' ' A' 1119 ' ' PHE . 15.6 tp -91.39 124.07 35.3 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.813 0.339 . . . . 0.0 111.235 -176.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . 0.501 HG23 ' HA ' ' A' 1079 ' ' GLN . 89.7 m -94.53 116.77 29.17 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 170.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1088 ' ' PHE . . . . . 0.718 ' HE1' ' HD2' ' A' 1120 ' ' PRO . 32.0 p90 -136.83 144.25 43.55 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.383 -175.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1089 ' ' ILE . . . . . 0.753 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -109.89 156.59 10.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.713 -175.478 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1090 ' ' GLU . . . . . 0.621 ' HG3' HG12 ' B' 1579 ' ' ILE . 2.9 tm-20 -59.85 124.57 20.59 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.39 -176.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 108.74 -1.34 32.08 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.665 -179.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1092 ' ' GLU . . . . . 0.449 ' HG3' HD12 ' A' 1109 ' ' ILE . 4.2 tp10 -91.55 161.51 14.92 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 -179.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 41.9 t -126.8 139.5 51.66 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 -177.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1094 ' ' ILE . . . . . 0.459 HG12 HD13 ' A' 1109 ' ' ILE . 18.0 mt -126.83 135.82 62.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.024 0.44 . . . . 0.0 110.972 -177.104 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1095 ' ' ILE . . . . . 0.503 HG12 ' HG2' ' A' 1110 ' ' GLU . 39.8 mm -94.37 111.99 26.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 172.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1096 ' ' VAL . . . . . 0.747 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 41.1 t -76.6 115.64 18.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.359 -178.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 17.8 p -99.69 -21.04 15.99 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.807 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -164.0 -176.3 35.73 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.581 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -136.11 138.18 41.78 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1100 ' ' GLU . . . . . 0.573 ' OE1' ' HD2' ' B' 1589 ' ' ARG . 34.0 tt0 -114.95 -30.32 6.43 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 121.749 0.785 . . . . 0.0 109.395 -178.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1101 ' ' ASP . . . . . 0.789 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 27.8 t70 -145.9 179.67 7.31 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.776 -1.102 . . . . 0.0 108.728 177.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -66.08 -47.37 74.48 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.183 0.516 . . . . 0.0 109.98 176.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -106.52 16.93 24.02 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.581 -174.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1104 ' ' TRP . . . . . 0.789 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 68.4 m95 -141.15 107.63 5.3 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.599 179.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 45.2 m0 -111.49 166.17 11.37 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.753 -176.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1106 ' ' ILE . . . . . 0.51 HD11 ' HB2' ' A' 1100 ' ' GLU . 23.1 mt -116.6 137.02 51.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.105 -175.177 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -178.43 -159.73 23.44 Favored Glycine 0 N--CA 1.439 -1.119 0 C-N-CA 119.876 -1.154 . . . . 0.0 112.928 176.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -145.55 150.68 36.86 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 -177.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.65 ' HB ' ' HB3' ' A' 1112 ' ' GLN . 33.1 mm -61.98 137.69 23.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.23 -177.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . 0.503 ' HG2' HG12 ' A' 1095 ' ' ILE . 0.5 OUTLIER -62.87 104.25 0.53 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.45 -0.796 . . . . 0.0 110.536 179.531 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 100.24 -7.69 58.57 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.986 -0.626 . . . . 0.0 111.721 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1112 ' ' GLN . . . . . 0.65 ' HB3' ' HB ' ' A' 1109 ' ' ILE . 6.3 tp60 -134.9 78.8 53.41 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.22 -22.59 66.86 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.741 2.294 . . . . 0.0 112.013 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 7.1 mp0 -63.99 -33.32 75.48 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.621 178.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -88.79 90.09 8.26 Favored 'General case' 0 N--CA 1.439 -0.987 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 177.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1116 ' ' LYS . . . . . 0.597 ' HD3' ' H ' ' A' 1116 ' ' LYS . 0.2 OUTLIER -131.35 155.96 46.34 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.109 -178.46 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 160.42 -160.85 32.15 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.903 -0.665 . . . . 0.0 111.723 -179.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1118 ' ' VAL . . . . . . . . . . . . . 6.4 t -104.44 120.42 54.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.874 0.369 . . . . 0.0 110.178 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1119 ' ' PHE . . . . . 0.596 ' HZ ' HG22 ' A' 1096 ' ' VAL . 22.1 p90 -113.28 138.29 22.35 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 115.925 -0.579 . . . . 0.0 112.009 -177.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1120 ' ' PRO . . . . . 0.718 ' HD2' ' HE1' ' A' 1088 ' ' PHE . 46.6 Cg_endo -71.25 128.01 14.14 Favored 'Trans proline' 0 C--O 1.236 0.401 0 C-N-CA 122.979 2.453 . . . . 0.0 112.34 175.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1121 ' ' VAL . . . . . 0.566 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 48.8 t -67.79 -15.14 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.122 178.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.01 -24.92 68.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.971 178.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1123 ' ' PHE . . . . . 0.651 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.6 OUTLIER -111.96 3.49 17.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.114 0.483 . . . . 0.0 110.879 -174.73 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.63 HG12 ' HA ' ' A' 1074 ' ' THR . 16.0 m -130.69 166.1 29.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.72 -179.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 54.9 t60 -133.02 134.69 44.77 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1126 ' ' ILE . . . . . 0.653 ' HA ' HG12 ' A' 1072 ' ' VAL . 2.5 mp -77.65 125.55 37.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.991 -175.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . 0.655 HD11 ' HB2' ' A' 1073 ' ' LYS . 54.7 mt -113.44 86.19 2.34 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.43 0.634 . . . . 0.0 110.74 -178.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 21.2 t -104.42 13.35 32.08 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.176 175.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 11.5 p-10 . . . . . 0 C--O 1.243 0.734 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.768 -177.416 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 62.7 m . . . . . 0 N--CA 1.477 0.918 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B 1579 ' ' ILE . . . . . 0.621 HG12 ' HG3' ' A' 1090 ' ' GLU . 20.1 mt -67.29 127.53 29.01 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.351 0 CA-C-O 121.224 0.535 . . . . 0.0 110.19 175.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1580 ' ' ILE . . . . . 0.433 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.6 mp -75.7 122.03 28.77 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.686 176.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 49.0 m 54.95 -149.66 0.44 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.906 0.384 . . . . 0.0 111.624 173.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -94.55 163.34 13.43 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 168.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1583 ' ' MET . . . . . 0.602 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 4.9 ttm -63.57 138.58 97.41 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -175.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1584 ' ' PRO . . . . . 0.797 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 78.2 Cg_endo -84.28 -174.93 1.98 Allowed 'Trans proline' 0 N--CA 1.449 -1.123 0 C-N-CA 123.312 2.675 . . . . 0.0 110.713 175.308 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 25.9 m -120.9 137.54 54.54 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 -177.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1586 ' ' LYS . . . . . 0.847 ' HE3' ' HB2' ' A' 1081 ' ' ASP . 19.9 ttmm -59.08 103.9 0.2 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 174.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 25.7 m -72.62 16.29 0.15 Allowed 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -170.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1588 ' ' SER . . . . . 0.41 ' H ' ' C ' ' B' 1586 ' ' LYS . 13.4 m 64.4 115.23 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.742 0.782 . . . . 0.0 111.293 -178.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1589 ' ' ARG . . . . . 0.613 ' O ' ' HG2' ' B' 1592 ' ' LYS . 13.0 ttp180 -64.62 113.65 3.88 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.163 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1590 ' ' LYS . . . . . 0.631 ' HD2' ' H ' ' B' 1590 ' ' LYS . 0.1 OUTLIER -68.15 -15.43 63.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.21 0.529 . . . . 0.0 110.4 -175.746 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -81.25 -29.6 34.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.22 177.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1592 ' ' LYS . . . . . 0.613 ' HG2' ' O ' ' B' 1589 ' ' ARG . 21.7 ptmt -87.99 151.44 22.78 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1593 ' ' LYS . . . . . 0.512 ' HD2' ' N ' ' B' 1593 ' ' LYS . 11.2 mptt -103.48 126.96 30.65 Favored Pre-proline 0 C--N 1.314 -0.951 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1594 ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' B' 1593 ' ' LYS . 18.8 Cg_exo -67.4 69.8 0.67 Allowed 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.951 2.434 . . . . 0.0 112.021 178.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . -144.02 176.63 9.15 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.808 179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 . . . . . 0 C--O 1.246 0.89 0 CA-C-O 118.546 -0.74 . . . . 0.0 110.346 -177.529 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 121.426 0.631 . . . . 0.0 111.365 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -92.7 111.36 22.93 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.795 176.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -103.96 137.74 41.51 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.199 -173.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1072 ' ' VAL . . . . . 0.757 HG12 ' HA ' ' A' 1126 ' ' ILE . 9.6 m -132.41 163.23 38.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.95 177.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1073 ' ' LYS . . . . . 0.545 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.4 OUTLIER -131.07 140.55 50.06 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 179.054 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1074 ' ' THR . . . . . 0.623 ' HA ' HG12 ' A' 1124 ' ' VAL . 46.2 p -78.72 121.3 24.55 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.267 0.556 . . . . 0.0 110.877 -177.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1075 ' ' ILE . . . . . 0.511 HG13 ' CD2' ' A' 1076 ' ' TYR . 14.2 pt -98.95 -8.19 9.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.588 0.709 . . . . 0.0 110.141 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1076 ' ' TYR . . . . . 0.815 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 96.7 m-85 -137.08 177.34 7.94 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.727 -1.124 . . . . 0.0 110.199 176.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -113.75 130.21 56.47 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.405 173.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1078 ' ' CYS . . . . . 0.666 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 48.6 t -134.99 151.66 51.03 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.181 -175.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1079 ' ' GLN . . . . . 0.559 ' HA ' HG23 ' A' 1087 ' ' THR . 52.8 tt0 -125.98 144.15 50.81 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.263 0.554 . . . . 0.0 110.86 177.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1080 ' ' ALA . . . . . 0.634 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -75.55 149.38 38.36 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.632 -1.167 . . . . 0.0 112.112 -177.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -96.79 -46.9 6.08 Favored 'General case' 0 CA--C 1.509 -0.629 0 N-CA-C 108.352 -0.981 . . . . 0.0 108.352 171.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 52.5 t30 -104.56 153.96 20.52 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 113.701 -1.591 . . . . 0.0 110.208 -175.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 16.7 t70 -57.94 -27.55 63.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.919 -1.037 . . . . 0.0 113.329 -167.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 1.1 p30 -100.12 12.15 37.64 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -175.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . 0.733 ' HG2' HH11 ' B' 1589 ' ' ARG . 42.8 mt-10 -96.18 163.53 13.06 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 176.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . 0.475 ' HB3' ' HB3' ' A' 1119 ' ' PHE . 12.3 tp -103.7 123.26 46.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.884 0.373 . . . . 0.0 111.683 -172.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . 0.559 HG23 ' HA ' ' A' 1079 ' ' GLN . 91.3 m -94.6 116.62 28.98 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 170.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1088 ' ' PHE . . . . . 0.808 ' HE2' ' HD2' ' A' 1120 ' ' PRO . 39.8 p90 -136.58 152.4 50.42 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.529 -175.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1089 ' ' ILE . . . . . 0.636 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -117.1 159.16 17.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 C-N-CA 120.861 -0.335 . . . . 0.0 110.169 177.2 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1090 ' ' GLU . . . . . 0.414 ' HG3' ' HA ' ' B' 1579 ' ' ILE . 4.6 tm-20 -55.89 124.3 17.16 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.939 -177.228 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 116.39 -11.03 16.75 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.336 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1092 ' ' GLU . . . . . 0.459 ' HA ' ' OE1' ' A' 1092 ' ' GLU . 3.6 mm-40 -78.54 153.37 31.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.344 0.592 . . . . 0.0 110.813 178.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 58.6 t -119.26 132.69 68.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.111 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1094 ' ' ILE . . . . . 0.621 HG12 HD13 ' A' 1109 ' ' ILE . 19.7 mt -124.54 133.97 67.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.074 0.464 . . . . 0.0 111.133 -174.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 50.7 mm -95.67 113.28 29.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 172.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1096 ' ' VAL . . . . . 0.451 HG22 ' HZ ' ' A' 1119 ' ' PHE . 30.0 t -76.53 115.44 18.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.595 -175.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1097 ' ' THR . . . . . 0.513 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 4.1 p -97.45 -26.01 14.99 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 179.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -153.35 -171.35 20.49 Favored Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.624 -177.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1099 ' ' GLU . . . . . 0.436 ' HA ' ' HA ' ' A' 1105 ' ' TRP . 0.4 OUTLIER -156.92 133.89 10.3 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 -178.172 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -116.59 -34.58 4.49 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.471 0.653 . . . . 0.0 109.538 -178.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1101 ' ' ASP . . . . . 0.774 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 12.1 t70 -130.72 172.71 11.67 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.858 -1.065 . . . . 0.0 108.693 -178.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -69.53 -36.73 76.69 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.609 0.719 . . . . 0.0 109.084 177.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -112.97 16.26 19.43 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.62 -175.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1104 ' ' TRP . . . . . 0.774 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 79.1 m95 -141.33 107.88 5.32 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.8 177.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1105 ' ' TRP . . . . . 0.436 ' HA ' ' HA ' ' A' 1099 ' ' GLU . 43.6 m0 -112.4 164.19 13.55 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.656 -176.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1106 ' ' ILE . . . . . 0.811 HG12 HG22 ' A' 1118 ' ' VAL . 52.1 mt -116.64 136.56 53.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.907 -174.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . 0.513 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -176.69 -163.61 29.28 Favored Glycine 0 N--CA 1.441 -1.027 0 C-N-CA 119.894 -1.146 . . . . 0.0 112.648 178.051 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -139.37 149.04 43.68 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 -177.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.692 ' HB ' ' HB2' ' A' 1112 ' ' GLN . 49.7 mm -62.89 135.23 27.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 178.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -48.84 -63.18 1.17 Allowed 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.52 0.512 . . . . 0.0 111.62 -172.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -91.74 12.76 68.53 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.642 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1112 ' ' GLN . . . . . 0.692 ' HB2' ' HB ' ' A' 1109 ' ' ILE . 22.2 mm-40 -137.21 74.11 49.57 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 121.161 0.505 . . . . 0.0 110.312 178.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -69.75 -4.26 13.67 Favored 'Trans proline' 0 C--N 1.339 0.036 0 C-N-CA 123.367 2.711 . . . . 0.0 111.493 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -81.67 -17.46 47.94 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.644 175.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -109.79 98.42 7.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.395 -178.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1116 ' ' LYS . . . . . 0.419 ' HD3' ' N ' ' A' 1116 ' ' LYS . 0.1 OUTLIER -128.11 157.59 40.33 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 177.149 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 163.94 -172.25 39.74 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.201 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1118 ' ' VAL . . . . . 0.811 HG22 HG12 ' A' 1106 ' ' ILE . 11.2 t -99.78 117.56 45.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.038 0.447 . . . . 0.0 110.342 179.017 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1119 ' ' PHE . . . . . 0.49 ' CE1' HG21 ' A' 1094 ' ' ILE . 14.7 p90 -110.82 142.95 27.25 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.348 -176.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1120 ' ' PRO . . . . . 0.808 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 59.8 Cg_endo -74.73 128.68 11.9 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.68 2.253 . . . . 0.0 111.831 176.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1121 ' ' VAL . . . . . 0.583 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 46.8 t -68.71 -16.45 20.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.229 -179.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.57 -21.38 66.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.864 179.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1123 ' ' PHE . . . . . 0.666 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.5 OUTLIER -112.94 0.89 15.24 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 121.428 0.632 . . . . 0.0 110.646 -175.6 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.623 HG12 ' HA ' ' A' 1074 ' ' THR . 16.2 m -129.18 176.11 8.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.239 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 68.0 t60 -142.72 132.02 23.44 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1126 ' ' ILE . . . . . 0.757 ' HA ' HG12 ' A' 1072 ' ' VAL . 2.8 mp -73.87 132.64 33.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.205 -178.213 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . 0.545 HD11 ' HB2' ' A' 1073 ' ' LYS . 77.0 mt -117.61 93.09 4.03 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 121.664 0.745 . . . . 0.0 110.839 -178.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 16.8 t -92.77 44.84 1.16 Allowed 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.085 -0.961 . . . . 0.0 108.714 176.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 6.2 m-20 . . . . . 0 C--O 1.248 1.017 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.362 -179.905 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 28.3 m . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B 1579 ' ' ILE . . . . . 0.414 ' HA ' ' HG3' ' A' 1090 ' ' GLU . 8.6 mt -65.86 127.39 26.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 121.056 0.455 . . . . 0.0 110.356 175.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1580 ' ' ILE . . . . . 0.421 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.6 mp -78.05 121.65 31.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.544 175.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 51.1 m 53.64 -152.75 0.29 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 171.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -94.59 160.64 14.54 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 171.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1583 ' ' MET . . . . . 0.574 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 2.4 ttm -59.46 137.17 89.18 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -174.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1584 ' ' PRO . . . . . 0.815 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 97.4 Cg_endo -84.78 -175.95 2.28 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 123.436 2.758 . . . . 0.0 110.446 174.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 12.5 m -110.85 125.92 54.12 Favored 'General case' 0 C--N 1.313 -0.996 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.542 -177.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1586 ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -60.16 100.83 0.1 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.954 -1.021 . . . . 0.0 108.871 174.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 13.2 p -66.32 -14.71 62.46 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.251 -0.886 . . . . 0.0 113.114 -170.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1588 ' ' SER . . . . . . . . . . . . . 23.3 t 67.61 138.39 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.668 0.605 . . . . 0.0 109.55 -172.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1589 ' ' ARG . . . . . 0.733 HH11 ' HG2' ' A' 1085 ' ' GLU . 1.1 mtm-85 -70.36 134.86 48.29 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.191 -0.604 . . . . 0.0 109.727 -175.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1590 ' ' LYS . . . . . 0.492 ' HD2' ' N ' ' B' 1590 ' ' LYS . 3.7 mptp? -81.84 -3.9 55.15 Favored 'General case' 0 C--N 1.31 -1.125 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.951 -175.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -90.8 -5.45 55.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.423 174.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1592 ' ' LYS . . . . . 0.5 ' CD ' ' HG3' ' B' 1589 ' ' ARG . 12.1 ptmm? -119.56 146.98 45.02 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.732 176.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1593 ' ' LYS . . . . . 0.408 ' C ' ' H ' ' B' 1595 ' ' ALA . 53.8 mttp -89.97 150.71 44.12 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.586 -179.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1594 ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.11 31.11 0.3 Allowed 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.17 2.58 . . . . 0.0 112.953 -178.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1595 ' ' ALA . . . . . 0.408 ' H ' ' C ' ' B' 1593 ' ' LYS . . . -99.66 -24.4 14.74 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.312 0.577 . . . . 0.0 109.822 176.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 . . . . . 0 C--O 1.246 0.88 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.502 178.713 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 62.0 t . . . . . 0 N--CA 1.478 0.954 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 1070 ' ' ARG . . . . . 0.576 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 39.9 ttm180 -96.33 143.08 27.72 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1071 ' ' ARG . . . . . 0.503 ' HG3' HD13 ' A' 1095 ' ' ILE . 39.9 ttt180 -135.42 134.57 39.81 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.095 -172.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1072 ' ' VAL . . . . . 0.568 HG12 ' HA ' ' A' 1126 ' ' ILE . 28.0 m -125.21 152.47 31.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 120.949 0.404 . . . . 0.0 111.04 178.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1073 ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' 1074 ' ' THR . 0.3 OUTLIER -119.53 134.01 55.41 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 177.231 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1074 ' ' THR . . . . . 0.563 ' HA ' HG12 ' A' 1124 ' ' VAL . 51.9 p -77.49 129.09 35.27 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-O 121.082 0.468 . . . . 0.0 110.937 -175.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1075 ' ' ILE . . . . . 0.563 HG13 ' CD2' ' A' 1076 ' ' TYR . 25.2 pt -101.18 -7.26 9.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-O 121.413 0.625 . . . . 0.0 110.078 179.218 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1076 ' ' TYR . . . . . 0.805 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 65.6 m-85 -137.42 176.89 8.3 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 114.589 -1.187 . . . . 0.0 111.095 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 2.9 t70 -107.41 132.95 52.62 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.348 -1.296 . . . . 0.0 108.573 173.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1078 ' ' CYS . . . . . 0.655 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 47.1 t -145.98 146.4 30.99 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.421 -174.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1079 ' ' GLN . . . . . 0.566 ' HA ' HG23 ' A' 1087 ' ' THR . 51.5 tt0 -127.74 144.35 51.09 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.821 -179.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1080 ' ' ALA . . . . . . . . . . . . . . . -57.81 128.8 38.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.03 -0.986 . . . . 0.0 112.549 -175.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 17.2 t70 -77.93 -34.07 51.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.11 178.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1082 ' ' ASN . . . . . 0.5 ' H ' ' CG ' ' A' 1085 ' ' GLU . 8.4 t-20 -133.99 -169.77 2.38 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.997 -1.001 . . . . 0.0 108.755 -177.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 34.6 t70 -69.33 -40.04 77.84 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -173.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 29.5 t70 -107.05 32.95 4.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.598 0.713 . . . . 0.0 111.651 -174.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . 0.513 ' CD ' HH21 ' B' 1589 ' ' ARG . 16.4 mm-40 -96.08 -171.4 2.31 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 107.602 -1.258 . . . . 0.0 107.602 170.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . 0.436 ' CD2' HD13 ' A' 1094 ' ' ILE . 14.1 tp -123.67 133.23 53.93 Favored 'General case' 0 C--N 1.316 -0.86 0 C-N-CA 120.044 -0.662 . . . . 0.0 112.106 -178.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . 0.566 HG23 ' HA ' ' A' 1079 ' ' GLN . 36.4 m -102.91 121.35 42.34 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 170.136 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1088 ' ' PHE . . . . . 0.54 ' HB2' HG21 ' A' 1074 ' ' THR . 12.5 p90 -143.57 138.19 28.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.034 0.445 . . . . 0.0 110.554 -176.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1089 ' ' ILE . . . . . 0.639 HD12 ' HB2' ' A' 1092 ' ' GLU . 1.8 pp -100.42 154.71 4.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.122 -177.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1090 ' ' GLU . . . . . 0.56 ' HG3' HG12 ' B' 1579 ' ' ILE . 3.7 tm-20 -56.9 126.58 27.71 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 -178.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 105.54 -2.95 39.51 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.912 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1092 ' ' GLU . . . . . 0.639 ' HB2' HD12 ' A' 1089 ' ' ILE . 6.3 tp10 -80.95 160.59 24.61 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.213 0.53 . . . . 0.0 110.51 -178.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1093 ' ' VAL . . . . . 0.509 ' O ' HG23 ' A' 1109 ' ' ILE . 59.1 t -126.87 123.88 63.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.16 -178.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1094 ' ' ILE . . . . . 0.811 HG12 HG12 ' A' 1109 ' ' ILE . 22.7 mt -118.52 137.42 52.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -176.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1095 ' ' ILE . . . . . 0.542 HG12 ' HB2' ' A' 1110 ' ' GLU . 38.7 mm -92.19 121.9 43.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 174.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1096 ' ' VAL . . . . . 0.576 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 38.9 t -83.45 117.17 28.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.817 0.341 . . . . 0.0 110.512 -176.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1097 ' ' THR . . . . . 0.612 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 17.9 p -104.21 -17.94 14.68 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.305 -179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -163.37 -172.88 31.4 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.325 -0.94 . . . . 0.0 113.109 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1099 ' ' GLU . . . . . 0.581 ' HG3' ' CD1' ' A' 1105 ' ' TRP . 21.6 tt0 -153.6 138.47 17.13 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 -177.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1100 ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -119.56 -40.11 2.81 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 177.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1101 ' ' ASP . . . . . 0.71 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 33.1 t70 -130.81 168.36 17.36 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.803 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -58.73 -38.42 78.32 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-O 121.44 0.638 . . . . 0.0 109.999 176.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1103 ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' 1120 ' ' PRO . 53.7 tt0 -109.77 9.44 24.79 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 114.888 -1.051 . . . . 0.0 110.845 -171.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1104 ' ' TRP . . . . . 0.71 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 79.0 m95 -140.67 107.22 5.31 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.486 -178.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1105 ' ' TRP . . . . . 0.581 ' CD1' ' HG3' ' A' 1099 ' ' GLU . 44.0 m0 -111.0 161.86 15.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.505 -178.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1106 ' ' ILE . . . . . 0.499 HG12 HG22 ' A' 1118 ' ' VAL . 45.7 mt -116.22 139.26 43.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 116.031 -0.532 . . . . 0.0 109.96 -174.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . 0.612 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -179.64 -165.87 34.39 Favored Glycine 0 N--CA 1.44 -1.056 0 C-N-CA 119.98 -1.105 . . . . 0.0 112.733 175.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1108 ' ' HIS . . . . . 0.625 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 14.6 p-80 -138.18 141.25 40.05 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.811 HG12 HG12 ' A' 1094 ' ' ILE . 12.2 mt -66.93 132.65 32.17 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.0 0 CA-C-N 115.598 -0.728 . . . . 0.0 112.122 -172.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . 0.542 ' HB2' HG12 ' A' 1095 ' ' ILE . 2.0 tm-20 -72.33 110.94 7.11 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 114.703 -1.135 . . . . 0.0 109.305 -174.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 112.16 -10.71 26.83 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.986 -0.626 . . . . 0.0 111.599 -177.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 49.2 tp60 -151.92 84.83 4.86 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -63.04 -20.85 72.43 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 123.368 2.712 . . . . 0.0 113.379 -173.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.06 -13.48 61.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.885 0.374 . . . . 0.0 111.401 178.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1115 ' ' ARG . . . . . 0.46 ' HB2' ' HB ' ' A' 1109 ' ' ILE . 86.0 mtt180 -96.53 88.63 4.74 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 176.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1116 ' ' LYS . . . . . 0.625 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 0.0 OUTLIER -131.47 150.47 52.14 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.224 177.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 166.35 -164.3 37.51 Favored Glycine 0 N--CA 1.44 -1.076 0 N-CA-C 110.681 -0.968 . . . . 0.0 110.681 -178.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1118 ' ' VAL . . . . . 0.499 HG22 HG12 ' A' 1106 ' ' ILE . 7.0 t -103.71 120.34 53.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 176.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1119 ' ' PHE . . . . . . . . . . . . . 11.6 p90 -110.21 135.18 20.59 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.743 -177.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1120 ' ' PRO . . . . . 0.433 ' HA ' ' O ' ' A' 1103 ' ' GLU . 31.1 Cg_endo -69.06 126.38 13.7 Favored 'Trans proline' 0 N--CA 1.459 -0.5 0 C-N-CA 122.62 2.213 . . . . 0.0 111.8 175.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1121 ' ' VAL . . . . . 0.58 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 59.2 t -64.45 -16.64 19.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.45 0.643 . . . . 0.0 109.698 177.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1122 ' ' SER . . . . . 0.607 ' HB2' ' HD1' ' A' 1123 ' ' PHE . 0.9 OUTLIER -58.65 -30.67 67.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.787 178.06 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1123 ' ' PHE . . . . . 0.655 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.4 OUTLIER -109.16 6.83 25.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.981 -173.595 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.58 ' CG2' ' HA ' ' A' 1121 ' ' VAL . 17.4 m -134.78 177.11 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 121.165 0.507 . . . . 0.0 112.076 -177.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1125 ' ' HIS . . . . . 0.4 ' CE1' HD13 ' A' 1075 ' ' ILE . 0.0 OUTLIER -139.56 147.7 41.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.26 177.584 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 1126 ' ' ILE . . . . . 0.568 ' HA ' HG12 ' A' 1072 ' ' VAL . 2.3 mp -86.76 124.62 40.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.112 0.482 . . . . 0.0 110.828 -177.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 10.6 mp -113.43 -57.29 2.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.761 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 15.2 m 53.92 44.18 29.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.803 0.811 . . . . 0.0 109.265 -172.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 26.4 t70 . . . . . 0 C--O 1.246 0.875 0 CA-C-N 114.641 -1.163 . . . . 0.0 109.488 -177.647 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 33.6 m . . . . . 0 N--CA 1.478 0.939 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B 1579 ' ' ILE . . . . . 0.56 HG12 ' HG3' ' A' 1090 ' ' GLU . 19.1 mt -61.71 131.1 26.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.103 0.477 . . . . 0.0 110.603 177.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1580 ' ' ILE . . . . . 0.494 HD13 ' HB ' ' A' 1075 ' ' ILE . 1.7 mp -87.51 120.46 36.74 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 173.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 24.7 m 54.16 -156.48 0.21 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 169.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -91.86 159.29 15.86 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.312 169.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1583 ' ' MET . . . . . 0.659 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 2.1 ttm -54.25 138.06 58.07 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -173.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1584 ' ' PRO . . . . . 0.805 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 68.2 Cg_endo -87.59 -175.53 1.51 Allowed 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 123.49 2.793 . . . . 0.0 110.049 177.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 85.2 m -110.59 136.88 49.02 Favored 'General case' 0 C--N 1.305 -1.339 0 C-N-CA 120.509 -0.477 . . . . 0.0 109.873 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1586 ' ' LYS . . . . . 0.449 ' C ' ' H ' ' B' 1588 ' ' SER . 16.3 ttmt -65.11 95.87 0.19 Allowed 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 169.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 5.1 m -74.54 25.98 0.08 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.283 -168.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1588 ' ' SER . . . . . 0.449 ' H ' ' C ' ' B' 1586 ' ' LYS . 27.4 m 62.16 141.16 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.253 0 CA-C-O 121.855 0.836 . . . . 0.0 111.716 -178.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1589 ' ' ARG . . . . . 0.6 ' HB3' ' HG2' ' B' 1592 ' ' LYS . 7.2 ttp85 -85.01 103.4 14.01 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 173.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1590 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.34 25.66 0.06 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.154 0.502 . . . . 0.0 112.26 -172.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1591 ' ' ALA . . . . . 0.444 ' H ' ' C ' ' B' 1589 ' ' ARG . . . -127.65 4.75 6.12 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 172.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1592 ' ' LYS . . . . . 0.6 ' HG2' ' HB3' ' B' 1589 ' ' ARG . 14.3 ptmt -150.62 131.63 14.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.401 176.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1593 ' ' LYS . . . . . 0.44 ' HA ' ' HD3' ' B' 1594 ' ' PRO . 92.4 mttt -92.64 128.58 43.62 Favored Pre-proline 0 C--N 1.314 -0.948 0 CA-C-O 121.103 0.478 . . . . 0.0 111.755 -177.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1594 ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' B' 1593 ' ' LYS . 73.6 Cg_endo -95.12 44.08 0.17 Allowed 'Trans proline' 0 N--CA 1.452 -0.954 0 C-N-CA 123.684 2.922 . . . . 0.0 111.183 172.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . 68.86 -66.76 0.23 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.076 -174.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.072 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 35.8 m . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 120.627 0.251 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 1070 ' ' ARG . . . . . 0.7 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 8.5 ttm180 -103.54 114.63 29.05 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 176.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 44.1 ttt180 -105.93 127.21 52.99 Favored 'General case' 0 C--N 1.313 -1.01 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.122 -169.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1072 ' ' VAL . . . . . 0.574 HG12 ' HA ' ' A' 1126 ' ' ILE . 25.2 m -125.41 155.9 34.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.689 0.281 . . . . 0.0 110.44 177.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1073 ' ' LYS . . . . . 0.46 ' HD2' ' N ' ' A' 1074 ' ' THR . 0.4 OUTLIER -123.54 133.34 54.01 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.027 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1074 ' ' THR . . . . . 0.634 ' HA ' HG12 ' A' 1124 ' ' VAL . 59.8 p -72.5 118.48 15.46 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.049 0.452 . . . . 0.0 110.569 -177.125 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1075 ' ' ILE . . . . . 0.655 HG13 ' CD2' ' A' 1076 ' ' TYR . 21.2 pt -98.71 -5.93 9.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.645 0.736 . . . . 0.0 109.835 -178.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1076 ' ' TYR . . . . . 0.807 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 98.7 m-85 -138.98 177.97 7.5 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 114.196 -1.365 . . . . 0.0 109.605 176.316 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1077 ' ' ASP . . . . . 0.427 ' O ' ' HE1' ' B' 1583 ' ' MET . 7.4 p-10 -113.51 130.56 56.32 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.173 172.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1078 ' ' CYS . . . . . 0.773 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 42.0 t -136.49 142.0 43.52 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.89 -177.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1079 ' ' GLN . . . . . 0.641 ' HA ' HG23 ' A' 1087 ' ' THR . 54.6 mt-30 -109.59 173.23 6.42 Favored 'General case' 0 C--N 1.311 -1.097 0 C-N-CA 120.096 -0.642 . . . . 0.0 111.558 178.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1080 ' ' ALA . . . . . 0.474 ' HA ' ' HG2' ' A' 1085 ' ' GLU . . . -44.16 134.75 4.69 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.254 -1.339 . . . . 0.0 113.722 -179.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1081 ' ' ASP . . . . . 0.606 ' OD2' ' HD2' ' B' 1592 ' ' LYS . 12.0 t0 -99.35 -34.02 10.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.852 173.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -138.38 -169.21 2.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.55 -178.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -71.6 -20.53 61.98 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.639 0.733 . . . . 0.0 109.667 170.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 9.5 t70 -116.55 93.68 4.31 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.979 -1.009 . . . . 0.0 109.759 -178.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . 0.474 ' HG2' ' HA ' ' A' 1080 ' ' ALA . 0.0 OUTLIER -153.19 -166.81 2.53 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.247 0.546 . . . . 0.0 111.861 -179.173 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' 1116 ' ' LYS . 6.8 tt -141.87 106.14 4.8 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.166 -0.925 . . . . 0.0 109.207 170.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . 0.641 HG23 ' HA ' ' A' 1079 ' ' GLN . 54.4 m -77.49 135.17 38.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.332 177.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1088 ' ' PHE . . . . . 0.615 ' HZ ' ' HB2' ' A' 1123 ' ' PHE . 11.1 p90 -147.76 160.77 42.36 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.237 0.542 . . . . 0.0 111.734 -175.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1089 ' ' ILE . . . . . 0.473 HD12 ' HG2' ' A' 1092 ' ' GLU . 1.8 pp -126.22 158.92 35.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.439 -0.801 . . . . 0.0 110.129 177.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -57.14 124.82 20.12 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.598 0.561 . . . . 0.0 110.17 -178.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 114.17 -6.45 23.38 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.468 -0.872 . . . . 0.0 112.42 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1092 ' ' GLU . . . . . 0.473 ' HG2' HD12 ' A' 1089 ' ' ILE . 19.1 mm-40 -83.98 159.4 21.24 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.052 0.453 . . . . 0.0 111.549 176.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1093 ' ' VAL . . . . . 0.435 HG22 ' HG2' ' A' 1073 ' ' LYS . 58.1 t -125.68 127.06 71.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 179.095 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1094 ' ' ILE . . . . . 0.572 HG12 HD13 ' A' 1109 ' ' ILE . 24.8 mt -115.33 129.76 71.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-O 121.279 0.562 . . . . 0.0 110.951 -174.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 51.3 mm -89.58 101.99 12.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 173.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1096 ' ' VAL . . . . . 0.753 HG22 ' HZ ' ' A' 1119 ' ' PHE . 61.6 t -70.89 121.62 21.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.511 -178.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 7.8 p -104.33 -19.17 14.17 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.095 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -163.34 -176.71 35.61 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.872 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -139.87 148.39 42.0 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1100 ' ' GLU . . . . . 0.484 ' CD ' HH21 ' B' 1589 ' ' ARG . 31.2 tt0 -123.99 -38.46 2.47 Favored 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 120.365 -0.534 . . . . 0.0 109.697 176.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1101 ' ' ASP . . . . . . . . . . . . . 31.3 t70 -139.05 175.15 9.8 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 174.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -58.27 -48.29 80.93 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.27 0.557 . . . . 0.0 110.082 176.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1103 ' ' GLU . . . . . 0.573 ' O ' ' HA ' ' A' 1120 ' ' PRO . 30.4 tt0 -98.33 6.68 47.11 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.2 -0.909 . . . . 0.0 111.389 -171.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1104 ' ' TRP . . . . . 0.648 ' CD1' ' HA ' ' B' 1589 ' ' ARG . 87.4 m95 -139.79 105.19 5.06 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.45 0.643 . . . . 0.0 111.022 -178.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 44.8 m0 -107.03 167.95 9.54 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.502 -178.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 48.4 mt -119.03 135.15 60.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.194 -175.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -177.13 -161.36 25.61 Favored Glycine 0 N--CA 1.441 -1.009 0 C-N-CA 120.313 -0.946 . . . . 0.0 112.4 178.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1108 ' ' HIS . . . . . 0.503 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 8.5 p-80 -147.81 149.87 33.14 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.639 0.257 . . . . 0.0 110.572 -178.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.572 HD13 HG12 ' A' 1094 ' ' ILE . 32.2 mm -60.62 136.19 24.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.461 178.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -62.02 -47.18 85.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.072 -177.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -90.64 8.86 79.16 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.581 -0.818 . . . . 0.0 112.752 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1112 ' ' GLN . . . . . 0.472 ' O ' ' HB ' ' A' 1109 ' ' ILE . 48.6 tp60 -161.63 78.94 2.12 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 -178.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -66.69 -16.71 51.27 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 123.17 2.58 . . . . 0.0 112.884 -174.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -72.06 -26.69 62.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.088 0.47 . . . . 0.0 109.751 178.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 74.7 mtt-85 -82.36 93.84 7.26 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 170.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1116 ' ' LYS . . . . . 0.503 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 23.4 pttm -138.16 147.66 44.11 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.113 -176.11 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1117 ' ' GLY . . . . . 0.446 ' HA3' ' O ' ' A' 1085 ' ' GLU . . . 162.55 -147.38 13.31 Favored Glycine 0 N--CA 1.443 -0.894 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.067 -177.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1118 ' ' VAL . . . . . 0.485 HG21 ' CZ ' ' B' 1589 ' ' ARG . 2.1 t -112.52 129.14 68.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 110.541 -0.17 . . . . 0.0 110.541 -175.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1119 ' ' PHE . . . . . 0.753 ' HZ ' HG22 ' A' 1096 ' ' VAL . 23.6 p90 -128.14 146.5 59.64 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.614 -175.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1120 ' ' PRO . . . . . 0.573 ' HA ' ' O ' ' A' 1103 ' ' GLU . 73.7 Cg_endo -78.7 126.26 7.25 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.228 2.619 . . . . 0.0 112.565 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1121 ' ' VAL . . . . . 0.582 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 83.9 t -65.94 -19.56 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.8 -179.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 45.4 m -61.57 -25.78 67.54 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 177.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1123 ' ' PHE . . . . . 0.773 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.6 OUTLIER -107.88 0.77 22.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.403 0.62 . . . . 0.0 110.753 -174.455 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.634 HG12 ' HA ' ' A' 1074 ' ' THR . 14.9 m -127.61 169.89 18.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.248 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 33.2 t60 -134.45 141.02 46.65 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1126 ' ' ILE . . . . . 0.574 ' HA ' HG12 ' A' 1072 ' ' VAL . 2.0 mp -82.29 124.74 39.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.105 0.478 . . . . 0.0 110.831 -176.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 9.1 mp -105.85 -53.34 2.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.814 176.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 49.1 m 53.68 47.67 23.26 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.78 0.8 . . . . 0.0 109.422 -173.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 30.9 t70 . . . . . 0 C--O 1.251 1.136 0 CA-C-N 114.729 -1.123 . . . . 0.0 109.759 -176.322 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 73.8 m . . . . . 0 N--CA 1.476 0.851 0 CA-C-O 120.684 0.278 . . . . 0.0 110.729 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 35.9 mt -71.77 120.5 20.13 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-O 121.189 0.519 . . . . 0.0 110.008 176.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1580 ' ' ILE . . . . . 0.474 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.6 mp -65.91 113.67 2.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.936 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.372 176.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 49.9 m 58.16 -151.87 0.41 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.789 0.328 . . . . 0.0 111.086 176.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -92.63 153.67 18.85 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 170.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1583 ' ' MET . . . . . 0.549 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 4.6 ttm -59.69 134.46 89.31 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 -176.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1584 ' ' PRO . . . . . 0.807 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 95.2 Cg_endo -84.08 -175.53 2.25 Favored 'Trans proline' 0 N--CA 1.445 -1.35 0 C-N-CA 123.226 2.618 . . . . 0.0 109.598 176.052 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 14.8 t -113.6 139.71 48.79 Favored 'General case' 0 C--N 1.303 -1.428 0 C-N-CA 119.432 -0.907 . . . . 0.0 109.39 -178.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1586 ' ' LYS . . . . . 0.488 ' HE3' ' HB3' ' B' 1586 ' ' LYS . 3.8 tmmt? -67.28 99.53 0.72 Allowed 'General case' 0 C--N 1.313 -1.017 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 174.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 5.4 m -71.39 14.89 0.15 Allowed 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.723 -167.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1588 ' ' SER . . . . . 0.434 ' H ' ' C ' ' B' 1586 ' ' LYS . 51.1 m 67.72 127.76 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.291 0 CA-C-O 121.744 0.783 . . . . 0.0 110.751 -176.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1589 ' ' ARG . . . . . 0.648 ' HA ' ' CD1' ' A' 1104 ' ' TRP . 37.5 ttt180 -60.68 122.06 13.8 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.649 177.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1590 ' ' LYS . . . . . 0.507 ' HD2' ' N ' ' B' 1590 ' ' LYS . 0.4 OUTLIER -71.51 -5.83 36.01 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.177 0.513 . . . . 0.0 111.205 -173.368 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -94.01 4.72 53.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.384 174.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1592 ' ' LYS . . . . . 0.606 ' HD2' ' OD2' ' A' 1081 ' ' ASP . 22.8 mtpp -75.4 126.42 30.97 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 172.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1593 ' ' LYS . . . . . 0.479 ' HA ' ' HD3' ' B' 1594 ' ' PRO . 66.7 mttm -75.48 138.64 70.96 Favored Pre-proline 0 C--N 1.316 -0.867 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.099 -178.155 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1594 ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' B' 1593 ' ' LYS . 15.6 Cg_exo -68.55 74.1 0.85 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 123.138 2.558 . . . . 0.0 112.044 179.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . -128.74 174.4 9.48 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.314 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.444 -0.789 . . . . 0.0 110.246 178.566 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.483 1.189 0 CA-C-O 121.633 0.73 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 1070 ' ' ARG . . . . . 0.44 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 42.3 ttm180 -139.49 117.22 11.55 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.895 -176.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1071 ' ' ARG . . . . . 0.49 ' HG3' HD13 ' A' 1095 ' ' ILE . 3.1 ttm180 -84.98 135.56 33.98 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.526 -0.469 . . . . 0.0 110.747 -178.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1072 ' ' VAL . . . . . 0.576 HG12 ' HA ' ' A' 1126 ' ' ILE . 33.8 m -129.98 153.82 39.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.108 176.164 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1073 ' ' LYS . . . . . 0.526 ' HG2' HG22 ' A' 1093 ' ' VAL . 0.1 OUTLIER -120.67 135.95 54.98 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 -179.283 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1074 ' ' THR . . . . . 0.561 ' HA ' HG12 ' A' 1124 ' ' VAL . 72.5 p -78.38 126.56 30.95 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.321 0.581 . . . . 0.0 111.113 -175.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1075 ' ' ILE . . . . . 0.694 HD12 ' HB ' ' B' 1580 ' ' ILE . 15.8 pt -103.36 -3.7 9.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.997 179.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1076 ' ' TYR . . . . . 0.69 ' HB2' ' HB3' ' A' 1123 ' ' PHE . 31.2 m-85 -144.92 172.52 12.92 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.84 -179.381 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1077 ' ' ASP . . . . . 0.544 ' HA ' ' HA ' ' A' 1089 ' ' ILE . 10.1 p-10 -110.05 111.24 22.49 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 114.806 -1.088 . . . . 0.0 108.805 175.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1078 ' ' CYS . . . . . 0.695 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 51.5 t -119.89 143.29 48.03 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.512 -177.404 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1079 ' ' GLN . . . . . 0.563 ' HA ' HG23 ' A' 1087 ' ' THR . 49.3 mt-30 -121.47 142.11 50.36 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-O 121.329 0.585 . . . . 0.0 111.283 -178.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1080 ' ' ALA . . . . . 0.659 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -87.54 149.24 24.48 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.849 -173.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -95.58 -36.07 11.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.553 179.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 11.0 m120 -108.34 153.01 23.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.163 177.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 34.5 t70 -63.31 -25.39 68.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.296 -0.866 . . . . 0.0 112.297 -174.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -87.82 -2.53 58.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.861 0.363 . . . . 0.0 111.689 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . 0.659 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 59.1 mt-10 -97.85 159.14 15.12 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 177.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . 0.687 ' HB3' ' HB3' ' A' 1119 ' ' PHE . 9.3 tp -96.96 129.75 44.37 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.102 0.477 . . . . 0.0 112.205 -171.165 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . 0.563 HG23 ' HA ' ' A' 1079 ' ' GLN . 96.2 m -100.98 128.11 47.16 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 169.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1088 ' ' PHE . . . . . 0.727 ' HE2' ' HD2' ' A' 1120 ' ' PRO . 34.4 p90 -146.45 158.57 43.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.895 0.379 . . . . 0.0 111.082 -175.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1089 ' ' ILE . . . . . 0.544 ' HA ' ' HA ' ' A' 1077 ' ' ASP . 1.8 pp -125.43 155.84 34.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.713 -179.286 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1090 ' ' GLU . . . . . 0.423 ' HG2' ' C ' ' A' 1075 ' ' ILE . 6.6 tm-20 -55.78 128.45 34.96 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 123.515 0.509 . . . . 0.0 110.585 -178.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 105.13 -5.65 42.2 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.571 -0.823 . . . . 0.0 111.661 -178.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1092 ' ' GLU . . . . . 0.505 ' HB2' HD12 ' A' 1089 ' ' ILE . 4.0 tp10 -84.96 160.56 20.05 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.641 -0.504 . . . . 0.0 109.641 177.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1093 ' ' VAL . . . . . 0.526 HG22 ' HG2' ' A' 1073 ' ' LYS . 59.8 t -129.43 131.4 67.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -178.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1094 ' ' ILE . . . . . 0.431 HG21 ' CE1' ' A' 1119 ' ' PHE . 14.9 mt -120.51 135.78 59.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.997 0.427 . . . . 0.0 110.961 -175.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1095 ' ' ILE . . . . . 0.515 HG12 ' HG2' ' A' 1110 ' ' GLU . 32.4 mm -93.03 109.61 21.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.307 172.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1096 ' ' VAL . . . . . 0.739 HG22 ' HZ ' ' A' 1119 ' ' PHE . 93.7 t -73.88 113.09 11.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.063 0.459 . . . . 0.0 110.334 178.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 21.3 p -100.5 -12.13 19.56 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.774 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -172.45 178.51 44.53 Favored Glycine 0 N--CA 1.446 -0.69 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.236 179.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -133.46 144.81 49.71 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1100 ' ' GLU . . . . . 0.547 ' OE1' ' HD2' ' B' 1589 ' ' ARG . 42.0 tt0 -121.51 -47.75 2.21 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.482 0.658 . . . . 0.0 109.356 178.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1101 ' ' ASP . . . . . 0.825 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 26.5 t70 -116.12 179.41 4.0 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 174.221 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -73.4 -35.47 65.87 Favored 'General case' 0 C--N 1.313 -1.001 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 175.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -113.53 12.5 18.6 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.523 -1.217 . . . . 0.0 110.446 -175.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1104 ' ' TRP . . . . . 0.825 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 70.7 m95 -137.84 107.45 6.2 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.37 176.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 45.3 m0 -111.08 169.27 8.88 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.712 -175.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1106 ' ' ILE . . . . . 0.457 HG12 HG22 ' A' 1118 ' ' VAL . 33.3 mt -118.01 136.08 56.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.108 -174.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -179.0 -161.36 26.49 Favored Glycine 0 N--CA 1.441 -1.031 0 C-N-CA 119.817 -1.182 . . . . 0.0 112.799 177.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1108 ' ' HIS . . . . . 0.543 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 17.8 p-80 -148.19 151.27 35.24 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.564 -0.318 . . . . 0.0 110.167 -177.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.471 HD12 ' HG3' ' A' 1092 ' ' GLU . 39.5 mm -62.92 134.3 28.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.089 -177.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . 0.515 ' HG2' HG12 ' A' 1095 ' ' ILE . 0.0 OUTLIER -66.03 103.15 0.9 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.371 -178.682 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . 106.37 -5.88 38.66 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.862 -0.685 . . . . 0.0 112.338 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 51.1 tp60 -140.38 79.4 20.97 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-O 121.036 0.446 . . . . 0.0 109.904 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -70.31 3.52 2.99 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 123.55 2.833 . . . . 0.0 113.28 -175.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -83.81 -27.17 28.98 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.265 0.555 . . . . 0.0 109.749 174.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 82.3 mtt180 -94.08 89.62 6.09 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.405 178.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1116 ' ' LYS . . . . . 0.543 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 0.0 OUTLIER -131.32 157.66 42.74 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.984 176.835 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 154.38 -162.67 30.76 Favored Glycine 0 N--CA 1.444 -0.812 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.88 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1118 ' ' VAL . . . . . 0.457 HG22 HG12 ' A' 1106 ' ' ILE . 8.3 t -101.18 122.72 53.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 120.908 0.385 . . . . 0.0 110.548 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1119 ' ' PHE . . . . . 0.739 ' HZ ' HG22 ' A' 1096 ' ' VAL . 23.9 p90 -117.84 145.65 37.12 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.988 -176.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1120 ' ' PRO . . . . . 0.727 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 62.3 Cg_endo -76.6 124.65 7.74 Favored 'Trans proline' 0 C--O 1.237 0.467 0 C-N-CA 122.965 2.443 . . . . 0.0 112.968 178.381 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1121 ' ' VAL . . . . . 0.606 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 57.3 t -64.56 -16.16 18.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.429 178.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1122 ' ' SER . . . . . 0.633 ' HB2' ' CD1' ' A' 1123 ' ' PHE . 0.7 OUTLIER -59.71 -34.15 72.53 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.106 -179.409 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1123 ' ' PHE . . . . . 0.695 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.1 OUTLIER -107.27 5.84 27.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.046 0.451 . . . . 0.0 110.219 -173.316 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.606 ' CG2' ' HA ' ' A' 1121 ' ' VAL . 16.3 m -127.48 167.47 22.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.906 179.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 3.1 t60 -131.71 138.18 48.56 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 -178.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1126 ' ' ILE . . . . . 0.576 ' HA ' HG12 ' A' 1072 ' ' VAL . 1.9 mp -83.77 128.5 38.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.044 0.45 . . . . 0.0 111.907 -173.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 9.4 mp -109.03 -47.19 3.47 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 173.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 1128 ' ' SER . . . . . 0.426 ' CB ' ' HG3' ' A' 1070 ' ' ARG . 5.4 t 58.43 57.17 3.98 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.311 176.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 38.9 t70 . . . . . 0 C--O 1.248 1.015 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.598 174.94 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 72.6 m . . . . . 0 N--CA 1.477 0.898 0 CA-C-O 120.831 0.348 . . . . 0.0 110.816 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 34.4 mt -90.58 122.81 42.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.49 178.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1580 ' ' ILE . . . . . 0.694 ' HB ' HD12 ' A' 1075 ' ' ILE . 1.6 mp -94.49 102.41 13.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.029 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1581 ' ' SER . . . . . 0.446 ' HB2' ' O ' ' B' 1580 ' ' ILE . 44.5 m 75.23 -139.55 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.542 -176.193 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -119.48 164.38 15.86 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 171.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1583 ' ' MET . . . . . 0.533 ' HA ' ' CE1' ' A' 1076 ' ' TYR . 18.7 ttm -41.17 119.77 1.82 Allowed Pre-proline 0 N--CA 1.467 0.393 0 O-C-N 123.919 0.762 . . . . 0.0 112.312 -171.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1584 ' ' PRO . . . . . 0.474 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 2.9 Cg_exo -73.64 -176.87 2.75 Favored 'Trans proline' 0 N--CA 1.448 -1.159 0 C-N-CA 122.667 2.245 . . . . 0.0 110.606 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 32.0 m -109.77 134.34 52.12 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1586 ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -59.94 108.59 0.79 Allowed 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 172.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 3.7 p -66.03 -1.46 3.12 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.43 -0.805 . . . . 0.0 113.055 -169.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1588 ' ' SER . . . . . . . . . . . . . 20.3 m 61.6 99.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.475 0.655 . . . . 0.0 110.194 -176.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1589 ' ' ARG . . . . . 0.547 ' HD2' ' OE1' ' A' 1100 ' ' GLU . 17.3 ttp85 -50.12 124.01 9.41 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.891 -1.049 . . . . 0.0 111.206 -177.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1590 ' ' LYS . . . . . 0.572 ' HD2' ' N ' ' B' 1590 ' ' LYS . 3.4 mptp? -76.77 -2.97 35.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.581 0.705 . . . . 0.0 110.335 -175.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -118.68 35.59 4.73 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.737 171.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1592 ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' B' 1589 ' ' ARG . 47.3 tptt -69.09 100.09 1.2 Allowed 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.487 -178.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B 1593 ' ' LYS . . . . . . . . . . . . . 61.1 mttp -94.97 113.3 61.02 Favored Pre-proline 0 N--CA 1.441 -0.915 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 172.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1594 ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -60.44 88.28 0.08 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.269 0 C-N-CA 122.518 2.145 . . . . 0.0 111.133 179.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . -46.85 118.4 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.144 -0.934 . . . . 0.0 111.87 -177.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B 1596 ' ' GLN . . . . . 0.403 ' H ' ' HG2' ' B' 1596 ' ' GLN . 7.0 pt20 . . . . . 0 C--O 1.246 0.895 0 CA-C-O 118.342 -0.837 . . . . 0.0 110.674 177.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 17.7 m . . . . . 0 N--CA 1.482 1.17 0 CA-C-O 120.702 0.287 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 1070 ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -124.35 109.13 12.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.587 0.708 . . . . 0.0 111.038 -177.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1071 ' ' ARG . . . . . 0.427 ' HG3' HD13 ' A' 1095 ' ' ILE . 22.3 ttm180 -129.3 149.23 51.18 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.068 -0.969 . . . . 0.0 109.751 -177.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1072 ' ' VAL . . . . . 0.61 HG12 ' HA ' ' A' 1126 ' ' ILE . 34.3 m -124.88 147.0 29.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.131 0.491 . . . . 0.0 110.339 175.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1073 ' ' LYS . . . . . 0.742 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.2 OUTLIER -111.62 131.14 55.48 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 175.738 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1074 ' ' THR . . . . . 0.57 ' HA ' HG12 ' A' 1124 ' ' VAL . 58.9 p -72.97 114.44 11.12 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-O 121.353 0.597 . . . . 0.0 110.25 -177.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1075 ' ' ILE . . . . . 0.548 HD12 ' HB ' ' B' 1580 ' ' ILE . 8.4 pt -93.86 -0.8 10.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-O 121.665 0.745 . . . . 0.0 109.567 179.267 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1076 ' ' TYR . . . . . 0.705 ' HB2' ' HB3' ' A' 1123 ' ' PHE . 31.4 m-85 -145.09 177.94 8.41 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.129 -1.396 . . . . 0.0 111.186 178.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -118.9 124.83 48.06 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 176.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1078 ' ' CYS . . . . . 0.505 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 42.0 t -131.8 144.79 51.18 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.772 -173.102 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1079 ' ' GLN . . . . . 0.538 ' HA ' HG23 ' A' 1087 ' ' THR . 25.9 tm0? -126.23 138.31 53.61 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.713 0.768 . . . . 0.0 111.418 -176.163 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1080 ' ' ALA . . . . . 0.461 ' HA ' ' HB3' ' A' 1085 ' ' GLU . . . -56.73 139.62 50.08 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 113.653 -1.612 . . . . 0.0 114.436 -173.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -76.49 -55.33 5.64 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.011 169.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -119.66 -170.79 2.01 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.04 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 19.3 t70 -67.0 -26.28 66.72 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.92 0.39 . . . . 0.0 111.821 -175.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -92.33 4.51 53.22 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 -172.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . 0.461 ' HB3' ' HA ' ' A' 1080 ' ' ALA . 4.8 mp0 -91.45 151.96 20.58 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 172.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . 0.702 ' HB3' ' HB3' ' A' 1119 ' ' PHE . 11.4 tp -96.96 118.12 32.66 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.181 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . 0.538 HG23 ' HA ' ' A' 1079 ' ' GLN . 56.5 m -88.31 116.18 26.33 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 172.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1088 ' ' PHE . . . . . 0.645 ' HE2' ' HB2' ' A' 1119 ' ' PHE . 15.8 p90 -130.96 158.73 39.47 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.126 -178.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1089 ' ' ILE . . . . . 0.6 HD12 ' HB2' ' A' 1092 ' ' GLU . 1.6 pp -123.2 150.32 27.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.843 -179.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -56.95 119.18 5.83 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.969 -175.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 116.02 -6.89 19.44 Favored Glycine 0 N--CA 1.451 -0.342 0 N-CA-C 111.374 -0.69 . . . . 0.0 111.374 -177.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1092 ' ' GLU . . . . . 0.6 ' HB2' HD12 ' A' 1089 ' ' ILE . 5.2 tp10 -82.73 161.73 21.98 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.368 0.604 . . . . 0.0 111.029 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 71.3 t -126.79 118.3 50.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.123 -175.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1094 ' ' ILE . . . . . 0.549 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 19.7 mt -113.92 131.42 65.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.69 -176.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1095 ' ' ILE . . . . . 0.427 HD13 ' HG3' ' A' 1071 ' ' ARG . 43.8 mm -92.09 122.13 43.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 174.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 29.3 t -81.89 114.87 23.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.918 0.39 . . . . 0.0 110.829 -174.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1097 ' ' THR . . . . . 0.505 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 19.0 p -103.06 -15.04 16.2 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.664 -177.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -167.97 -172.36 34.89 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.52 -0.848 . . . . 0.0 112.747 179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -144.31 138.33 27.82 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 -179.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1100 ' ' GLU . . . . . 0.762 ' HG2' ' HE ' ' B' 1589 ' ' ARG . 5.9 tp10 -114.39 -39.17 3.89 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.779 0.799 . . . . 0.0 109.141 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1101 ' ' ASP . . . . . 0.688 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 6.8 t70 -138.69 173.6 11.41 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 114.889 -1.05 . . . . 0.0 108.353 -177.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -65.61 -35.07 79.73 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.878 0.847 . . . . 0.0 109.145 177.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -112.86 12.06 19.37 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 114.22 -1.354 . . . . 0.0 110.44 -174.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1104 ' ' TRP . . . . . 0.688 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 83.5 m95 -139.85 104.16 4.82 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.407 -178.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 44.8 m0 -108.44 165.56 11.43 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.072 0.463 . . . . 0.0 110.311 -177.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1106 ' ' ILE . . . . . 0.663 HG12 HG22 ' A' 1118 ' ' VAL . 63.9 mt -115.41 134.12 59.56 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.005 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.319 -175.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . 0.505 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -171.68 -163.18 25.19 Favored Glycine 0 N--CA 1.437 -1.291 0 C-N-CA 119.956 -1.116 . . . . 0.0 112.5 178.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1108 ' ' HIS . . . . . 0.533 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 9.5 p-80 -149.16 150.82 33.29 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -178.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.5 HG22 ' H ' ' A' 1111 ' ' GLY . 28.8 mm -63.31 137.58 24.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.748 178.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -67.66 -33.35 74.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.731 -178.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . 0.5 ' H ' HG22 ' A' 1109 ' ' ILE . . . -80.85 -38.11 17.18 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.59 -0.814 . . . . 0.0 111.981 177.094 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -117.67 85.95 22.74 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 178.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -62.9 -26.68 74.46 Favored 'Trans proline' 0 CA--C 1.531 0.356 0 C-N-CA 123.091 2.528 . . . . 0.0 114.017 -172.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . 0.42 ' H ' ' HG3' ' A' 1114 ' ' GLU . 0.0 OUTLIER -89.54 -2.54 58.38 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.172 0.51 . . . . 0.0 111.024 -178.7 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1115 ' ' ARG . . . . . 0.445 HH11 ' HD3' ' A' 1115 ' ' ARG . 57.6 mtt-85 -90.12 92.98 9.19 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 170.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1116 ' ' LYS . . . . . 0.533 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 7.4 ptmm? -137.69 160.98 37.72 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.166 -1.379 . . . . 0.0 110.956 -167.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 155.9 -161.88 30.95 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 121.045 -0.598 . . . . 0.0 111.9 -177.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1118 ' ' VAL . . . . . 0.663 HG22 HG12 ' A' 1106 ' ' ILE . 10.6 t -104.48 123.13 58.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.129 0.49 . . . . 0.0 110.464 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1119 ' ' PHE . . . . . 0.702 ' HB3' ' HB3' ' A' 1086 ' ' LEU . 24.1 p90 -117.2 146.94 39.33 Favored Pre-proline 0 C--N 1.318 -0.775 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.289 -177.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1120 ' ' PRO . . . . . 0.418 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 54.5 Cg_endo -77.21 126.63 8.65 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.38 2.053 . . . . 0.0 112.515 177.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1121 ' ' VAL . . . . . 0.545 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 91.2 t -64.01 -18.51 22.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.174 -178.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 16.3 m -64.15 -28.8 70.01 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -178.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1123 ' ' PHE . . . . . 0.705 ' HB3' ' HB2' ' A' 1076 ' ' TYR . 0.1 OUTLIER -104.54 -0.14 28.08 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.26 0.552 . . . . 0.0 109.851 -174.337 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.57 HG12 ' HA ' ' A' 1074 ' ' THR . 19.3 m -124.92 172.08 12.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.102 178.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1125 ' ' HIS . . . . . 0.443 ' HB2' HD13 ' A' 1075 ' ' ILE . 69.8 t60 -139.26 132.74 30.27 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 178.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1126 ' ' ILE . . . . . 0.61 ' HA ' HG12 ' A' 1072 ' ' VAL . 2.9 mp -73.86 131.91 34.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.847 -178.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . 0.742 HD11 ' HB2' ' A' 1073 ' ' LYS . 14.7 mt -103.48 67.65 0.92 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.302 -176.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 22.6 t -112.5 23.7 13.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.528 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 30.7 t70 . . . . . 0 C--O 1.246 0.912 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.339 179.124 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 66.9 m . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.826 0.346 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 58.7 mt -82.33 132.95 30.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.502 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1580 ' ' ILE . . . . . 0.548 ' HB ' HD12 ' A' 1075 ' ' ILE . 1.6 mp -98.17 101.24 11.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.951 0.405 . . . . 0.0 109.91 178.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 12.8 t 74.74 -140.99 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.794 -176.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -120.38 157.37 29.43 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 173.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1583 ' ' MET . . . . . 0.688 ' HA ' ' CE1' ' A' 1076 ' ' TYR . 30.1 ttm -41.1 118.58 1.67 Allowed Pre-proline 0 N--CA 1.469 0.479 0 O-C-N 123.857 0.723 . . . . 0.0 112.631 -168.403 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1584 ' ' PRO . . . . . 0.588 ' HD3' ' CZ ' ' A' 1076 ' ' TYR . 69.7 Cg_endo -73.08 -177.09 2.73 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 122.796 2.33 . . . . 0.0 110.228 179.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 1.4 m -110.26 122.29 47.29 Favored 'General case' 0 C--N 1.304 -1.39 0 C-N-CA 120.522 -0.471 . . . . 0.0 110.004 -177.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1586 ' ' LYS . . . . . 0.47 ' HB3' ' HE2' ' B' 1586 ' ' LYS . 3.0 tmmm? -63.9 94.46 0.1 Allowed 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 171.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 16.2 m -72.65 21.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 114.293 -1.321 . . . . 0.0 112.963 -165.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1588 ' ' SER . . . . . 0.429 ' H ' ' C ' ' B' 1586 ' ' LYS . 27.0 m 65.2 156.31 0.09 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.797 0.808 . . . . 0.0 111.019 -175.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1589 ' ' ARG . . . . . 0.885 ' HB3' ' HB2' ' B' 1592 ' ' LYS . 18.8 ttt180 -105.42 117.74 34.79 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.76 -176.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1590 ' ' LYS . . . . . 0.668 ' H ' ' HE3' ' B' 1590 ' ' LYS . 0.0 OUTLIER -69.87 -35.69 74.87 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.416 0.627 . . . . 0.0 109.564 -176.697 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B 1591 ' ' ALA . . . . . 0.516 ' HB3' ' HG3' ' A' 1100 ' ' GLU . . . -94.56 33.94 1.37 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.354 174.25 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1592 ' ' LYS . . . . . 0.885 ' HB2' ' HB3' ' B' 1589 ' ' ARG . 41.6 tptt -79.5 91.54 5.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.717 177.109 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1593 ' ' LYS . . . . . 0.419 ' HA ' ' HD3' ' B' 1594 ' ' PRO . 3.8 mppt? -75.85 116.68 57.6 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.048 177.153 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1594 ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' B' 1593 ' ' LYS . 6.0 Cg_exo -78.49 52.82 4.3 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 123.276 2.651 . . . . 0.0 111.578 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . -70.68 111.28 6.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.348 -177.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 25.3 tt0 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.152 -0.928 . . . . 0.0 109.896 176.525 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 27.4 m . . . . . 0 N--CA 1.484 1.258 0 CA-C-O 120.687 0.279 . . . . 0.0 111.317 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 1070 ' ' ARG . . . . . 0.634 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 14.1 ttm180 -102.42 148.22 25.77 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1071 ' ' ARG . . . . . 0.401 ' HE ' HG11 ' A' 1093 ' ' VAL . 78.8 ttt180 -117.12 135.5 53.71 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 178.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1072 ' ' VAL . . . . . 0.716 HG12 ' HA ' ' A' 1126 ' ' ILE . 19.4 m -134.05 157.57 41.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.757 0.313 . . . . 0.0 110.446 178.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1073 ' ' LYS . . . . . 0.695 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.5 OUTLIER -126.11 137.28 53.59 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 177.9 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1074 ' ' THR . . . . . 0.553 ' HA ' HG12 ' A' 1124 ' ' VAL . 63.9 p -74.46 119.49 18.73 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.174 0.512 . . . . 0.0 110.875 -176.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1075 ' ' ILE . . . . . 0.538 HD12 ' HB ' ' B' 1580 ' ' ILE . 10.5 pt -97.35 -0.94 10.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.789 0.804 . . . . 0.0 109.511 177.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1076 ' ' TYR . . . . . 0.722 ' HB2' ' HB3' ' A' 1123 ' ' PHE . 33.8 m-85 -146.33 173.96 11.79 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.258 -1.337 . . . . 0.0 110.878 178.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1077 ' ' ASP . . . . . 0.527 ' HB2' HG22 ' A' 1089 ' ' ILE . 7.2 p-10 -111.35 127.96 55.82 Favored 'General case' 0 N--CA 1.441 -0.925 0 CA-C-N 115.274 -0.875 . . . . 0.0 108.976 173.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1078 ' ' CYS . . . . . 0.723 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 43.6 t -135.26 145.94 48.09 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.904 -178.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1079 ' ' GLN . . . . . 0.594 ' HA ' HG23 ' A' 1087 ' ' THR . 60.9 tt0 -120.02 159.65 24.33 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.874 178.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1080 ' ' ALA . . . . . 0.55 ' CB ' ' HG2' ' A' 1085 ' ' GLU . . . -25.28 138.27 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 115.684 1.735 . . . . 0.0 115.684 178.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1081 ' ' ASP . . . . . 0.573 ' OD2' ' HD3' ' B' 1592 ' ' LYS . 32.2 t0 -112.02 -19.12 12.45 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.479 -1.237 . . . . 0.0 109.558 173.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1082 ' ' ASN . . . . . 0.613 ' HB3' HH21 ' B' 1589 ' ' ARG . 10.1 t-20 -161.02 -168.92 2.19 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.212 -174.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 19.2 t70 -69.08 -41.0 78.11 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 118.073 0.397 . . . . 0.0 111.61 -175.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 15.1 p-10 -107.11 89.17 2.92 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.627 0.727 . . . . 0.0 110.556 -178.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . 0.55 ' HG2' ' CB ' ' A' 1080 ' ' ALA . 0.0 OUTLIER -133.76 -166.53 1.8 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.393 -179.563 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . 0.471 HD12 ' CA ' ' A' 1116 ' ' LYS . 7.2 tt -144.58 106.27 4.28 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.227 171.088 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . 0.594 HG23 ' HA ' ' A' 1079 ' ' GLN . 69.9 m -79.81 131.71 35.96 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.144 178.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1088 ' ' PHE . . . . . 0.634 ' HE2' ' HB2' ' A' 1119 ' ' PHE . 10.9 p90 -141.28 162.14 36.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.995 0.426 . . . . 0.0 111.242 -176.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1089 ' ' ILE . . . . . 0.667 HD12 ' HG2' ' A' 1092 ' ' GLU . 1.8 pp -127.16 154.72 37.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.894 176.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -55.38 122.63 11.61 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 123.555 0.534 . . . . 0.0 111.03 -176.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 117.0 -10.54 15.29 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 121.06 -0.591 . . . . 0.0 112.642 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1092 ' ' GLU . . . . . 0.667 ' HG2' HD12 ' A' 1089 ' ' ILE . 44.0 mm-40 -81.18 157.86 25.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.042 0.449 . . . . 0.0 111.365 177.097 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1093 ' ' VAL . . . . . 0.401 HG11 ' HE ' ' A' 1071 ' ' ARG . 87.4 t -122.42 126.54 74.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.497 178.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1094 ' ' ILE . . . . . 0.643 HG12 HD13 ' A' 1109 ' ' ILE . 12.8 mt -116.76 130.67 71.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-O 120.929 0.395 . . . . 0.0 110.829 -175.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 50.0 mm -90.38 105.28 16.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.407 175.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1096 ' ' VAL . . . . . 0.634 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 50.7 t -69.83 113.94 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.208 -179.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 11.5 p -103.93 -19.02 14.37 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.737 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -159.83 -170.3 24.23 Favored Glycine 0 N--CA 1.442 -0.951 0 C-N-CA 120.419 -0.896 . . . . 0.0 112.624 -177.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1099 ' ' GLU . . . . . 0.435 ' HA ' ' HA ' ' A' 1105 ' ' TRP . 25.9 tt0 -152.6 131.83 12.77 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 -177.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1100 ' ' GLU . . . . . 0.412 ' HG2' ' CB ' ' B' 1591 ' ' ALA . 18.9 tt0 -106.93 -40.62 5.42 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 120.106 -0.638 . . . . 0.0 109.51 -175.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1101 ' ' ASP . . . . . 0.406 ' OD2' ' HB2' ' A' 1104 ' ' TRP . 2.0 p30 -146.4 179.95 7.17 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 168.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -54.2 -42.6 69.92 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -173.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1103 ' ' GLU . . . . . 0.429 ' O ' ' HA ' ' A' 1120 ' ' PRO . 32.3 tt0 -112.73 11.79 19.51 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.361 0.601 . . . . 0.0 110.286 -170.67 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1104 ' ' TRP . . . . . 0.566 ' CD1' ' HA ' ' B' 1589 ' ' ARG . 73.9 m95 -139.02 106.63 5.59 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.78 179.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1105 ' ' TRP . . . . . 0.435 ' HA ' ' HA ' ' A' 1099 ' ' GLU . 46.3 m0 -108.11 167.38 10.04 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.907 -175.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 54.0 mt -115.94 134.54 58.94 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.936 -176.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . 0.418 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -174.1 -169.02 35.79 Favored Glycine 0 N--CA 1.438 -1.193 0 C-N-CA 120.129 -1.034 . . . . 0.0 112.249 178.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 17.4 p-80 -139.77 144.74 37.55 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.732 0.301 . . . . 0.0 110.441 -178.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.694 HG22 ' H ' ' A' 1111 ' ' GLY . 40.1 mm -60.86 131.22 25.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.248 178.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -64.12 -25.15 67.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.646 -177.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . 0.694 ' H ' HG22 ' A' 1109 ' ' ILE . . . -101.65 5.6 54.42 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.875 -0.679 . . . . 0.0 112.865 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -156.22 92.16 2.58 Favored Pre-proline 0 C--N 1.325 -0.476 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1113 ' ' PRO . . . . . 0.466 ' O ' ' HE3' ' A' 1116 ' ' LYS . 48.3 Cg_endo -66.87 -17.55 51.87 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 123.013 2.475 . . . . 0.0 113.475 -173.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . 0.552 ' HA ' ' HE3' ' A' 1116 ' ' LYS . 17.4 mt-10 -89.5 -17.47 28.57 Favored 'General case' 0 CA--C 1.509 -0.596 0 CA-C-O 120.998 0.427 . . . . 0.0 110.732 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -83.91 89.66 7.26 Favored 'General case' 0 N--CA 1.439 -1.009 0 C-N-CA 120.254 -0.578 . . . . 0.0 109.579 175.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1116 ' ' LYS . . . . . 0.552 ' HE3' ' HA ' ' A' 1114 ' ' GLU . 0.1 OUTLIER -126.81 172.38 10.43 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.745 176.723 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1117 ' ' GLY . . . . . 0.526 ' HA3' ' O ' ' A' 1085 ' ' GLU . . . 144.42 -159.49 27.75 Favored Glycine 0 N--CA 1.442 -0.963 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.732 179.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1118 ' ' VAL . . . . . 0.597 HG21 ' NH1' ' B' 1589 ' ' ARG . 2.1 t -103.51 127.07 57.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 120.851 0.358 . . . . 0.0 110.513 -177.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1119 ' ' PHE . . . . . 0.634 ' HB2' ' HE2' ' A' 1088 ' ' PHE . 23.4 p90 -124.33 142.83 41.21 Favored Pre-proline 0 C--N 1.319 -0.744 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.992 -177.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1120 ' ' PRO . . . . . 0.527 ' HG3' ' SG ' ' A' 1078 ' ' CYS . 55.7 Cg_endo -74.78 125.43 9.44 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.744 2.296 . . . . 0.0 112.594 -178.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1121 ' ' VAL . . . . . 0.552 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 75.9 t -64.28 -19.68 25.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.782 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1122 ' ' SER . . . . . 0.599 ' HB2' ' CD1' ' A' 1123 ' ' PHE . 1.2 m -59.83 -33.38 71.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.978 -179.458 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1123 ' ' PHE . . . . . 0.723 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.1 OUTLIER -104.69 4.57 32.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.839 0.352 . . . . 0.0 110.313 -172.408 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.553 HG12 ' HA ' ' A' 1074 ' ' THR . 16.4 m -128.54 157.3 41.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.885 0.374 . . . . 0.0 111.36 -178.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 52.7 t60 -117.48 129.75 56.01 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.158 0.504 . . . . 0.0 110.102 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1126 ' ' ILE . . . . . 0.716 ' HA ' HG12 ' A' 1072 ' ' VAL . 2.1 mp -75.02 128.29 36.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.485 -178.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . 0.695 HD11 ' HB2' ' A' 1073 ' ' LYS . 65.2 mt -110.92 62.89 0.61 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.739 -178.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 12.6 p -99.4 33.67 2.39 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.128 177.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 41.1 m-20 . . . . . 0 C--O 1.248 1.002 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.976 -179.47 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 74.7 m . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 120.985 0.422 . . . . 0.0 110.69 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B 1579 ' ' ILE . . . . . 0.471 HG23 ' CE1' ' A' 1076 ' ' TYR . 44.0 mm -84.05 113.96 23.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.481 178.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1580 ' ' ILE . . . . . 0.538 ' HB ' HD12 ' A' 1075 ' ' ILE . 1.6 mp -86.29 102.32 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.304 -179.084 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1581 ' ' SER . . . . . 0.45 ' HB2' ' O ' ' B' 1580 ' ' ILE . 49.6 m 75.03 -136.97 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.692 -174.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -124.42 156.94 36.29 Favored 'General case' 0 CA--C 1.516 -0.334 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 172.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1583 ' ' MET . . . . . 0.648 ' HA ' ' CE1' ' A' 1076 ' ' TYR . 30.3 ttm -41.39 119.69 1.91 Allowed Pre-proline 0 CA--C 1.517 -0.305 0 O-C-N 124.044 0.84 . . . . 0.0 112.667 -168.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1584 ' ' PRO . . . . . 0.471 ' HD3' ' CZ ' ' A' 1076 ' ' TYR . 57.2 Cg_endo -71.91 171.92 15.63 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 122.522 2.148 . . . . 0.0 109.671 175.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 19.1 m -103.82 134.2 47.51 Favored 'General case' 0 C--N 1.306 -1.293 0 C-N-CA 120.167 -0.613 . . . . 0.0 110.375 -175.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1586 ' ' LYS . . . . . 0.547 ' HD3' ' HB2' ' A' 1081 ' ' ASP . 35.6 ttmt -61.42 101.07 0.15 Allowed 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 172.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 16.3 p -73.65 6.32 3.22 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.858 -165.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1588 ' ' SER . . . . . . . . . . . . . 33.8 t 67.15 111.96 0.04 OUTLIER 'General case' 0 CA--C 1.516 -0.331 0 O-C-N 123.76 0.662 . . . . 0.0 109.488 -173.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1589 ' ' ARG . . . . . 0.882 ' HB3' ' HG3' ' B' 1592 ' ' LYS . 14.7 ttp180 -58.14 124.52 19.68 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.729 -178.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1590 ' ' LYS . . . . . 0.543 ' HD2' ' H ' ' B' 1590 ' ' LYS . 3.5 mptp? -71.31 -23.72 62.0 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.855 -173.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1591 ' ' ALA . . . . . 0.412 ' CB ' ' HG2' ' A' 1100 ' ' GLU . . . -103.19 29.79 5.3 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.149 178.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1592 ' ' LYS . . . . . 0.882 ' HG3' ' HB3' ' B' 1589 ' ' ARG . 48.4 mtmt -67.17 152.97 44.78 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 121.273 0.558 . . . . 0.0 110.629 175.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B 1593 ' ' LYS . . . . . . . . . . . . . 3.2 mppt? -104.66 128.45 26.84 Favored Pre-proline 0 C--N 1.318 -0.783 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 173.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1594 ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -49.57 96.74 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.328 2.685 . . . . 0.0 113.03 -176.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . -144.77 -175.37 4.64 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.694 178.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.446 -0.788 . . . . 0.0 110.089 -178.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 73.2 t . . . . . 0 N--CA 1.477 0.883 0 CA-C-O 121.218 0.532 . . . . 0.0 110.209 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 1070 ' ' ARG . . . . . 0.463 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 21.0 ttp180 -87.56 114.74 24.45 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.448 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1071 ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' 1071 ' ' ARG . 46.2 ttt-85 -120.99 136.84 54.89 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.518 -172.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1072 ' ' VAL . . . . . 0.583 HG12 ' HA ' ' A' 1126 ' ' ILE . 34.9 m -130.78 152.65 37.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.903 0.382 . . . . 0.0 110.795 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1073 ' ' LYS . . . . . 0.983 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.1 OUTLIER -115.57 135.31 54.2 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 177.01 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1074 ' ' THR . . . . . 0.609 ' HA ' HG12 ' A' 1124 ' ' VAL . 51.2 p -74.66 111.51 9.93 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.491 0.662 . . . . 0.0 109.771 179.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1075 ' ' ILE . . . . . 0.685 HG13 ' CD2' ' A' 1076 ' ' TYR . 19.8 pt -96.21 -3.44 10.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.812 0.815 . . . . 0.0 109.943 -178.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1076 ' ' TYR . . . . . 0.703 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 98.6 m-85 -139.48 -179.13 5.72 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 114.123 -1.399 . . . . 0.0 109.848 176.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1077 ' ' ASP . . . . . 0.42 ' O ' ' HE1' ' B' 1583 ' ' MET . 4.5 p30 -116.27 135.3 54.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.829 174.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1078 ' ' CYS . . . . . 0.72 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 38.7 t -140.32 148.69 41.74 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.031 -176.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1079 ' ' GLN . . . . . 0.595 ' HA ' HG23 ' A' 1087 ' ' THR . 39.9 tt0 -127.25 143.37 51.26 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-O 121.745 0.783 . . . . 0.0 112.05 -178.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1080 ' ' ALA . . . . . 0.576 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -72.63 142.94 48.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.24 -1.345 . . . . 0.0 112.54 -174.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -91.2 -44.24 9.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.244 172.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 5.7 m120 -118.07 174.67 6.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.008 -0.996 . . . . 0.0 109.175 -179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 16.4 t70 -68.69 -30.12 68.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.788 0.328 . . . . 0.0 111.724 -176.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 33.7 t70 -75.84 -10.79 59.73 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.481 -173.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . 0.576 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 4.9 mm-40 -79.65 -175.54 4.88 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 178.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . 0.531 HD12 ' C ' ' A' 1116 ' ' LYS . 5.4 tt -136.61 111.55 8.89 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.978 0.418 . . . . 0.0 110.835 178.283 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . 0.595 HG23 ' HA ' ' A' 1079 ' ' GLN . 63.8 m -80.4 122.36 26.85 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.062 174.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1088 ' ' PHE . . . . . 0.756 ' HZ ' ' HB2' ' A' 1123 ' ' PHE . 5.7 p90 -135.46 153.14 51.86 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.32 178.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1089 ' ' ILE . . . . . 0.654 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -117.37 158.63 17.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 174.769 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -55.64 123.38 13.88 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 123.559 0.537 . . . . 0.0 110.491 -177.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 117.35 -9.42 15.15 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.687 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -81.89 153.23 26.45 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.117 0.484 . . . . 0.0 110.91 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1093 ' ' VAL . . . . . 0.526 HG22 ' HG2' ' A' 1073 ' ' LYS . 63.2 t -119.42 127.17 75.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.551 176.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1094 ' ' ILE . . . . . 0.666 HG12 HD13 ' A' 1109 ' ' ILE . 20.9 mt -114.49 134.83 56.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 120.972 0.415 . . . . 0.0 111.093 -175.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 49.9 mm -93.17 117.85 37.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 173.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1096 ' ' VAL . . . . . 0.463 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 50.9 t -78.59 115.59 21.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 120.976 0.417 . . . . 0.0 110.483 -176.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1097 ' ' THR . . . . . 0.569 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 9.6 p -104.39 -12.04 16.78 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.955 -179.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -165.97 -178.28 38.72 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.959 -0.639 . . . . 0.0 112.242 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1099 ' ' GLU . . . . . 0.474 ' HG3' ' CD1' ' A' 1105 ' ' TRP . 47.7 tt0 -147.63 129.68 15.43 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -178.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1100 ' ' GLU . . . . . 0.773 ' HG2' ' HE ' ' B' 1589 ' ' ARG . 7.0 tp10 -103.72 -51.65 3.14 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.659 -177.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1101 ' ' ASP . . . . . 0.439 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 21.2 t70 -138.61 175.81 9.24 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -179.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -60.97 -38.62 86.58 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-O 121.119 0.485 . . . . 0.0 109.744 177.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1103 ' ' GLU . . . . . 0.662 ' HA ' ' HB ' ' A' 1121 ' ' VAL . 5.0 mm-40 -100.86 8.14 43.32 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.548 -177.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1104 ' ' TRP . . . . . 0.44 ' CD1' ' HA ' ' B' 1589 ' ' ARG . 92.7 m95 -141.59 101.89 4.07 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.048 0.451 . . . . 0.0 111.708 -176.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1105 ' ' TRP . . . . . 0.474 ' CD1' ' HG3' ' A' 1099 ' ' GLU . 45.5 m0 -106.34 164.08 12.31 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.787 178.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1106 ' ' ILE . . . . . 0.866 HG12 HG22 ' A' 1118 ' ' VAL . 54.6 mt -115.75 135.96 54.17 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.772 -175.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . 0.569 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -177.55 -158.54 20.82 Favored Glycine 0 N--CA 1.439 -1.159 0 C-N-CA 119.523 -1.322 . . . . 0.0 113.043 177.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 13.0 p-80 -151.11 151.47 32.0 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 -178.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.666 HD13 HG12 ' A' 1094 ' ' ILE . 47.8 mm -61.06 133.1 26.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 O-C-N 123.293 0.371 . . . . 0.0 110.395 -179.165 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -50.65 -59.59 3.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 123.296 0.372 . . . . 0.0 111.86 -172.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -89.11 5.45 84.36 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.726 -0.75 . . . . 0.0 113.258 -177.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1112 ' ' GLN . . . . . 0.434 ' O ' ' HB ' ' A' 1109 ' ' ILE . 9.5 tt0 -147.56 78.97 9.77 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 121.513 0.673 . . . . 0.0 110.009 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -61.06 -26.89 83.64 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 123.841 3.027 . . . . 0.0 114.994 -172.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -73.15 -14.92 61.46 Favored 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 120.122 -0.631 . . . . 0.0 112.024 -178.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -81.91 90.28 6.44 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 166.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1116 ' ' LYS . . . . . 0.531 ' C ' HD12 ' A' 1086 ' ' LEU . 50.8 pttt -137.74 155.34 49.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.167 -171.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 149.07 -166.62 29.43 Favored Glycine 0 N--CA 1.44 -1.063 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.218 -178.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1118 ' ' VAL . . . . . 0.866 HG22 HG12 ' A' 1106 ' ' ILE . 16.8 t -96.54 126.29 49.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 121.105 0.478 . . . . 0.0 110.417 178.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1119 ' ' PHE . . . . . 0.642 ' HB2' ' HE2' ' A' 1088 ' ' PHE . 25.3 p90 -121.1 149.24 50.97 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.807 -174.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1120 ' ' PRO . . . . . 0.651 ' HA ' ' O ' ' A' 1103 ' ' GLU . 64.4 Cg_endo -79.18 122.85 5.37 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 122.406 2.07 . . . . 0.0 112.909 -178.254 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1121 ' ' VAL . . . . . 0.662 ' HB ' ' HA ' ' A' 1103 ' ' GLU . 8.3 t -58.48 -25.65 28.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 114.548 -1.205 . . . . 0.0 110.445 176.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1122 ' ' SER . . . . . 0.578 ' HB2' ' HD1' ' A' 1123 ' ' PHE . 0.7 OUTLIER -58.48 -29.19 66.02 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.344 178.625 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1123 ' ' PHE . . . . . 0.756 ' HB2' ' HZ ' ' A' 1088 ' ' PHE . 0.8 OUTLIER -107.35 3.27 25.16 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 120.959 0.409 . . . . 0.0 111.413 -173.303 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.609 HG12 ' HA ' ' A' 1074 ' ' THR . 10.8 m -129.63 162.56 36.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.757 0.313 . . . . 0.0 111.014 -177.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1125 ' ' HIS . . . . . 0.568 ' HB2' HD13 ' A' 1075 ' ' ILE . 80.3 t60 -126.87 132.45 50.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.866 0.365 . . . . 0.0 110.104 -178.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1126 ' ' ILE . . . . . 0.583 ' HA ' HG12 ' A' 1072 ' ' VAL . 1.9 mp -72.65 123.33 27.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.432 -177.538 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . 0.983 HD11 ' HB2' ' A' 1073 ' ' LYS . 89.2 mt -102.02 15.81 27.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.015 -177.261 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 49.0 m -89.33 19.72 4.24 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.592 0.71 . . . . 0.0 109.822 174.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 6.0 t70 . . . . . 0 C--O 1.245 0.841 0 CA-C-N 114.875 -1.057 . . . . 0.0 108.92 177.424 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 36.9 t . . . . . 0 N--CA 1.478 0.952 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 15.3 mt -66.55 121.19 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.445 0 CA-C-O 121.054 0.454 . . . . 0.0 109.821 172.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1580 ' ' ILE . . . . . 0.538 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.5 mp -72.88 111.81 7.91 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.815 177.143 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 49.2 m 58.84 -154.86 0.36 Allowed 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.87 0.367 . . . . 0.0 111.382 174.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -87.99 149.43 24.03 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 171.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1583 ' ' MET . . . . . 0.567 ' HA ' ' CE1' ' A' 1076 ' ' TYR . 9.3 ttm -63.59 136.22 96.61 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.061 -174.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1584 ' ' PRO . . . . . 0.703 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 77.2 Cg_endo -78.52 -176.12 3.1 Favored 'Trans proline' 0 N--CA 1.451 -1.023 0 C-N-CA 123.132 2.555 . . . . 0.0 110.036 175.057 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 60.8 m -116.54 141.97 47.48 Favored 'General case' 0 C--N 1.306 -1.297 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1586 ' ' LYS . . . . . . . . . . . . . 4.3 tttt -55.8 107.18 0.32 Allowed 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.472 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 6.2 m -75.13 77.06 2.29 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.331 -0.849 . . . . 0.0 109.46 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1588 ' ' SER . . . . . . . . . . . . . 49.6 m -27.9 116.62 0.09 Allowed 'General case' 0 N--CA 1.469 0.481 0 O-C-N 124.542 1.151 . . . . 0.0 113.339 -170.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1589 ' ' ARG . . . . . 0.773 ' HE ' ' HG2' ' A' 1100 ' ' GLU . 45.5 ttt180 -46.73 110.14 0.26 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.45 -1.25 . . . . 0.0 111.625 -176.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1590 ' ' LYS . . . . . 0.406 ' HD2' ' N ' ' B' 1590 ' ' LYS . 0.5 OUTLIER -69.33 -25.54 64.26 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.325 -0.852 . . . . 0.0 111.937 -170.388 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -82.9 -3.5 57.05 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.706 -177.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1592 ' ' LYS . . . . . 0.772 ' HD2' ' HD3' ' B' 1589 ' ' ARG . 16.3 ptmt -127.72 145.37 50.92 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 178.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1593 ' ' LYS . . . . . 0.402 ' HA ' ' HD3' ' B' 1593 ' ' LYS . 25.2 mmtp -110.12 97.66 31.29 Favored Pre-proline 0 C--N 1.319 -0.758 0 CA-C-O 120.777 0.322 . . . . 0.0 110.349 179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1594 ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' B' 1592 ' ' LYS . 6.8 Cg_exo -73.87 71.76 4.06 Favored 'Trans proline' 0 C--O 1.237 0.428 0 C-N-CA 123.205 2.603 . . . . 0.0 112.283 -177.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . -61.21 -50.35 73.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.341 176.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 . . . . . 0 C--O 1.249 1.035 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.242 176.991 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 27.9 m . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 121.022 0.439 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A 1070 ' ' ARG . . . . . 0.687 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 10.0 ttm180 -139.05 161.11 38.17 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 -179.265 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -120.78 130.48 54.02 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 121.79 -0.568 . . . . 0.0 111.265 -179.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1072 ' ' VAL . . . . . 0.552 HG12 ' HA ' ' A' 1126 ' ' ILE . 33.9 m -129.83 143.69 40.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.034 175.201 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1073 ' ' LYS . . . . . 0.738 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.4 OUTLIER -111.77 131.44 55.32 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 177.817 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1074 ' ' THR . . . . . 0.609 ' HA ' HG12 ' A' 1124 ' ' VAL . 67.9 p -71.56 124.5 24.82 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.323 -177.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1075 ' ' ILE . . . . . 0.629 ' HA ' ' OE1' ' A' 1090 ' ' GLU . 12.0 pt -106.47 9.74 9.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.855 0.836 . . . . 0.0 110.256 -179.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1076 ' ' TYR . . . . . 0.805 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 87.3 m-85 -157.55 166.29 33.3 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 113.942 -1.481 . . . . 0.0 110.599 -175.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1077 ' ' ASP . . . . . 0.439 ' HA ' ' HA ' ' A' 1089 ' ' ILE . 1.0 OUTLIER -101.11 120.9 40.89 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.239 174.257 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1078 ' ' CYS . . . . . 0.591 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 50.9 t -129.54 146.52 51.35 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 110.259 -0.275 . . . . 0.0 110.259 -176.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1079 ' ' GLN . . . . . 0.578 ' HA ' HG23 ' A' 1087 ' ' THR . 7.6 tt0 -124.37 141.65 51.91 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.929 0.871 . . . . 0.0 112.142 -179.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1080 ' ' ALA . . . . . 0.508 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -70.66 146.0 50.25 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 113.968 -1.469 . . . . 0.0 112.528 -176.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 25.0 t70 -96.91 -45.44 6.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.149 171.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1082 ' ' ASN . . . . . 0.444 ' O ' ' HB1' ' A' 1080 ' ' ALA . 13.8 m120 -92.68 156.79 16.83 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.974 -1.012 . . . . 0.0 108.992 170.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.27 -18.62 64.58 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.463 177.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 30.1 t70 -88.37 -7.64 56.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.899 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . 0.508 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 42.6 mt-10 -82.18 162.37 22.45 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 175.13 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . 0.613 ' HB3' ' HB3' ' A' 1119 ' ' PHE . 13.4 tp -103.95 121.8 43.89 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 120.735 0.302 . . . . 0.0 111.537 -176.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . 0.578 HG23 ' HA ' ' A' 1079 ' ' GLN . 61.2 m -92.68 116.71 29.26 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 170.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1088 ' ' PHE . . . . . 0.666 ' HE2' ' HD2' ' A' 1120 ' ' PRO . 21.7 p90 -134.4 159.12 42.04 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.777 -176.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1089 ' ' ILE . . . . . 0.706 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -122.73 147.55 26.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 -177.659 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1090 ' ' GLU . . . . . 0.629 ' OE1' ' HA ' ' A' 1075 ' ' ILE . 0.8 OUTLIER -60.13 129.02 39.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.124 0.487 . . . . 0.0 111.018 -175.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 109.11 -5.11 31.89 Favored Glycine 0 N--CA 1.45 -0.38 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 -175.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1092 ' ' GLU . . . . . 0.43 ' HG3' HD12 ' A' 1109 ' ' ILE . 7.0 tp10 -89.75 161.43 16.05 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.618 -0.791 . . . . 0.0 109.924 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 60.9 t -128.64 130.38 68.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.948 -176.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1094 ' ' ILE . . . . . 0.47 HG21 ' CE1' ' A' 1119 ' ' PHE . 11.0 mt -116.8 129.66 72.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.954 0.407 . . . . 0.0 110.889 -177.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 46.8 mm -89.4 105.72 16.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 172.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1096 ' ' VAL . . . . . 0.687 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 58.8 t -69.52 117.57 12.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.125 -179.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1097 ' ' THR . . . . . 0.514 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 3.6 p -100.57 -22.09 15.08 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.585 178.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -161.02 -175.61 32.24 Favored Glycine 0 N--CA 1.443 -0.845 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.491 -178.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -141.89 141.17 33.02 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.466 -0.939 . . . . 0.0 108.466 -178.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1100 ' ' GLU . . . . . 0.526 ' HB2' HD11 ' A' 1106 ' ' ILE . 44.5 tt0 -120.6 -41.65 2.58 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.762 0.791 . . . . 0.0 108.956 178.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1101 ' ' ASP . . . . . 0.693 ' OD2' ' HG2' ' B' 1590 ' ' LYS . 5.9 t70 -121.9 174.85 6.62 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 114.556 -1.202 . . . . 0.0 108.266 -178.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -72.01 -37.47 69.78 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 170.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -108.22 10.65 27.81 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 114.522 -1.217 . . . . 0.0 110.892 -174.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1104 ' ' TRP . . . . . 0.672 ' HB2' ' CB ' ' A' 1101 ' ' ASP . 73.4 m95 -141.44 109.66 5.88 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.425 0.631 . . . . 0.0 110.921 179.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1105 ' ' TRP . . . . . 0.584 ' CH2' HD13 ' A' 1126 ' ' ILE . 44.8 m0 -110.72 165.33 11.92 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.341 -177.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1106 ' ' ILE . . . . . 0.526 HD11 ' HB2' ' A' 1100 ' ' GLU . 42.8 mt -116.87 136.68 53.22 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.69 -174.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . 0.514 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . 179.33 -164.6 32.83 Favored Glycine 0 N--CA 1.441 -1.03 0 C-N-CA 119.887 -1.149 . . . . 0.0 112.741 178.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -139.25 151.12 46.25 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -176.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.642 ' HB ' ' HB2' ' A' 1112 ' ' GLN . 34.2 mm -65.33 138.34 23.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.142 0.496 . . . . 0.0 110.661 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.59 -41.57 94.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.7 -178.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . 0.456 ' H ' HG22 ' A' 1109 ' ' ILE . . . -96.48 -0.87 60.82 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.504 179.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1112 ' ' GLN . . . . . 0.642 ' HB2' ' HB ' ' A' 1109 ' ' ILE . 78.9 mm-40 -141.15 79.64 17.7 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-O 121.075 0.464 . . . . 0.0 110.18 -178.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.63 -20.43 53.25 Favored 'Trans proline' 0 C--O 1.23 0.111 0 C-N-CA 123.482 2.788 . . . . 0.0 113.122 -174.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 14.4 tp10 -88.95 -2.86 58.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.562 0.696 . . . . 0.0 110.269 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -104.27 90.22 3.49 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.602 174.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1116 ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.25 173.28 7.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.931 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 150.2 -169.52 30.21 Favored Glycine 0 N--CA 1.443 -0.838 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.03 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1118 ' ' VAL . . . . . 0.507 HG22 HG12 ' A' 1106 ' ' ILE . 8.7 t -99.93 119.67 48.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.994 0.426 . . . . 0.0 110.156 179.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1119 ' ' PHE . . . . . 0.625 ' HZ ' HG22 ' A' 1096 ' ' VAL . 14.8 p90 -111.87 141.95 25.78 Favored Pre-proline 0 C--N 1.316 -0.862 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.368 -176.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1120 ' ' PRO . . . . . 0.666 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 59.3 Cg_endo -74.27 125.46 9.73 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 122.863 2.375 . . . . 0.0 111.891 177.516 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1121 ' ' VAL . . . . . 0.598 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 48.1 t -64.52 -15.87 18.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.604 0.716 . . . . 0.0 109.679 176.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1122 ' ' SER . . . . . 0.601 ' HB2' ' HD1' ' A' 1123 ' ' PHE . 1.0 OUTLIER -59.28 -31.36 69.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.8 178.683 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1123 ' ' PHE . . . . . 0.601 ' HD1' ' HB2' ' A' 1122 ' ' SER . 0.9 OUTLIER -110.41 6.56 22.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.941 0.401 . . . . 0.0 111.148 -173.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.609 HG12 ' HA ' ' A' 1074 ' ' THR . 18.2 m -129.57 159.3 41.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.931 -178.031 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 81.2 t60 -119.71 129.21 54.41 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1126 ' ' ILE . . . . . 0.584 HD13 ' CH2' ' A' 1105 ' ' TRP . 62.3 mt -85.87 137.77 20.26 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.705 -171.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . 0.738 HD11 ' HB2' ' A' 1073 ' ' LYS . 27.6 mt -122.45 85.77 2.47 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.47 0.653 . . . . 0.0 110.771 -174.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 8.6 t -87.9 10.96 16.98 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.008 177.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 35.3 t70 . . . . . 0 C--O 1.248 1.02 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.76 179.728 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 68.9 m . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 22.2 mt -56.65 123.36 7.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.258 0.552 . . . . 0.0 110.796 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1580 ' ' ILE . . . . . 0.541 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.5 mp -72.99 120.04 20.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.734 176.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 37.2 m 55.78 -147.71 0.51 Allowed 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 120.671 0.272 . . . . 0.0 111.079 174.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -97.06 148.33 23.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.892 0.377 . . . . 0.0 110.038 171.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1583 ' ' MET . . . . . 0.482 ' HA ' ' CE1' ' A' 1076 ' ' TYR . 5.5 ttm -57.81 133.17 83.04 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.577 -0.738 . . . . 0.0 112.389 -176.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1584 ' ' PRO . . . . . 0.805 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 1.2 Cg_endo -82.46 -174.13 1.97 Allowed 'Trans proline' 0 N--CA 1.445 -1.343 0 C-N-CA 123.247 2.631 . . . . 0.0 111.268 176.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 24.0 m -125.3 139.3 53.82 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 179.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1586 ' ' LYS . . . . . 0.43 ' C ' ' H ' ' B' 1588 ' ' SER . 40.9 ttmt -48.89 111.22 0.44 Allowed 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.581 0.551 . . . . 0.0 110.592 179.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 6.3 m -74.63 17.8 0.19 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.773 -175.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1588 ' ' SER . . . . . 0.43 ' H ' ' C ' ' B' 1586 ' ' LYS . 16.0 m 66.31 143.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.957 0.884 . . . . 0.0 111.594 -177.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1589 ' ' ARG . . . . . 0.512 ' HD2' ' OE1' ' A' 1100 ' ' GLU . 7.3 ttp180 -90.74 120.59 31.91 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 173.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1590 ' ' LYS . . . . . 0.693 ' HG2' ' OD2' ' A' 1101 ' ' ASP . 2.9 mmtt -76.24 -21.63 56.13 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -175.198 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -97.7 29.26 3.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.396 172.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1592 ' ' LYS . . . . . 0.468 ' HE3' ' OE2' ' A' 1085 ' ' GLU . 22.4 tptm -71.43 124.68 25.16 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.164 178.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1593 ' ' LYS . . . . . 0.463 ' HA ' ' HD3' ' B' 1594 ' ' PRO . 17.7 ptpt -96.24 112.14 58.8 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-O 120.903 0.382 . . . . 0.0 110.263 175.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1594 ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' B' 1593 ' ' LYS . 3.0 Cg_exo -76.25 66.5 7.07 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.923 2.415 . . . . 0.0 111.807 179.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . -56.4 -53.12 61.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.321 178.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 . . . . . 0 C--O 1.244 0.801 0 CA-C-O 118.317 -0.849 . . . . 0.0 109.092 172.922 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 59.6 t . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 120.831 0.348 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 1070 ' ' ARG . . . . . 0.577 ' HG3' ' HB2' ' A' 1128 ' ' SER . 54.0 ttp180 -117.55 126.32 52.37 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.132 -0.486 . . . . 0.0 109.711 -178.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1071 ' ' ARG . . . . . 0.418 ' HG2' HD13 ' A' 1095 ' ' ILE . 70.3 mtt180 -105.98 143.98 33.35 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.169 0.509 . . . . 0.0 112.057 -177.152 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1072 ' ' VAL . . . . . 0.512 HG12 ' HA ' ' A' 1126 ' ' ILE . 30.7 m -130.14 143.98 39.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.215 -0.902 . . . . 0.0 108.86 169.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1073 ' ' LYS . . . . . 0.561 ' HG2' HG22 ' A' 1093 ' ' VAL . 0.1 OUTLIER -113.2 132.72 55.38 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 179.108 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1074 ' ' THR . . . . . 0.609 ' HA ' HG12 ' A' 1124 ' ' VAL . 44.4 p -73.71 120.5 19.39 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.247 0.546 . . . . 0.0 110.813 -176.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1075 ' ' ILE . . . . . 0.569 HG13 ' CD2' ' A' 1076 ' ' TYR . 17.1 pt -100.82 -3.49 9.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.458 -178.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1076 ' ' TYR . . . . . 0.766 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 94.5 m-85 -142.15 170.7 15.22 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.808 179.656 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1077 ' ' ASP . . . . . 0.442 ' HA ' ' HA ' ' A' 1089 ' ' ILE . 21.3 m-20 -99.51 109.45 21.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.354 174.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1078 ' ' CYS . . . . . 0.549 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 40.9 t -115.51 137.9 51.59 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.604 -0.271 . . . . 0.0 110.485 -177.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1079 ' ' GLN . . . . . 0.607 ' HA ' HG23 ' A' 1087 ' ' THR . 45.8 tt0 -124.59 145.68 49.47 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.91 0.862 . . . . 0.0 111.827 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1080 ' ' ALA . . . . . 0.643 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -88.44 144.14 26.55 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.41 -1.268 . . . . 0.0 111.508 -176.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 38.1 t70 -103.53 -27.31 12.44 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 173.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 14.6 m120 -110.83 151.3 27.99 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.05 175.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 22.5 t70 -65.37 -20.93 66.61 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.252 -0.886 . . . . 0.0 111.765 -175.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 30.5 t70 -85.13 -12.82 51.97 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . 0.643 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 72.7 mt-10 -87.66 153.47 21.35 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 178.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . 0.468 HD23 ' HB3' ' A' 1119 ' ' PHE . 16.0 tp -97.51 132.66 42.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.427 -178.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . 0.607 HG23 ' HA ' ' A' 1079 ' ' GLN . 84.9 m -100.86 120.89 40.8 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 171.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1088 ' ' PHE . . . . . 0.545 ' CE1' ' HD2' ' A' 1120 ' ' PRO . 20.2 p90 -142.74 134.18 26.35 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.334 -177.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1089 ' ' ILE . . . . . 0.461 ' O ' HD12 ' A' 1089 ' ' ILE . 2.0 pp -97.72 159.14 3.23 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.884 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.002 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -58.68 122.94 14.74 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.155 -178.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 116.59 -7.22 17.99 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.519 179.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1092 ' ' GLU . . . . . 0.416 ' HA ' ' OE1' ' A' 1092 ' ' GLU . 3.9 mm-40 -85.9 156.03 20.69 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.278 0.561 . . . . 0.0 111.727 177.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1093 ' ' VAL . . . . . 0.561 HG22 ' HG2' ' A' 1073 ' ' LYS . 60.4 t -119.41 130.35 74.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.055 175.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1094 ' ' ILE . . . . . 0.797 HG12 HG12 ' A' 1109 ' ' ILE . 29.7 mt -116.7 134.42 60.27 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.333 -177.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1095 ' ' ILE . . . . . 0.418 HD13 ' HG2' ' A' 1071 ' ' ARG . 47.5 mm -88.53 110.15 20.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 175.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1096 ' ' VAL . . . . . 0.539 HG22 ' HZ ' ' A' 1119 ' ' PHE . 22.7 t -78.69 114.6 19.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.781 -176.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1097 ' ' THR . . . . . 0.593 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 3.3 p -98.73 -21.85 16.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.209 179.007 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -161.02 -169.08 23.79 Favored Glycine 0 N--CA 1.443 -0.857 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1099 ' ' GLU . . . . . 0.602 ' HA ' ' HA ' ' A' 1105 ' ' TRP . 0.2 OUTLIER -157.25 150.53 23.85 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-O 121.478 0.656 . . . . 0.0 109.78 175.378 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1100 ' ' GLU . . . . . 0.85 ' HG2' ' HE ' ' B' 1589 ' ' ARG . 7.6 tp10 -107.72 -50.48 3.06 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.053 -175.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1101 ' ' ASP . . . . . 0.518 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 29.4 t70 -125.76 172.94 9.4 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.373 -1.285 . . . . 0.0 107.604 176.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -63.0 -32.71 74.12 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 121.706 0.765 . . . . 0.0 109.116 175.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1103 ' ' GLU . . . . . . . . . . . . . 51.4 tt0 -102.72 1.57 34.59 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.318 -1.31 . . . . 0.0 111.34 -175.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1104 ' ' TRP . . . . . 0.518 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 77.9 m95 -135.91 99.52 4.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 122.134 -0.354 . . . . 0.0 111.234 -179.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1105 ' ' TRP . . . . . 0.602 ' HA ' ' HA ' ' A' 1099 ' ' GLU . 39.7 m0 -100.98 162.61 12.77 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.505 -178.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1106 ' ' ILE . . . . . . . . . . . . . 28.5 mt -119.79 140.35 44.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.83 -176.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . 0.593 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . -178.4 -162.21 27.7 Favored Glycine 0 N--CA 1.44 -1.099 0 C-N-CA 119.299 -1.429 . . . . 0.0 113.245 175.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1108 ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -138.09 137.25 37.57 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.797 HG12 HG12 ' A' 1094 ' ' ILE . 6.7 mt -65.43 141.04 18.68 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-O 121.396 0.617 . . . . 0.0 112.243 -173.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -71.28 125.7 27.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.79 -175.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . 0.418 ' O ' ' HD3' ' A' 1113 ' ' PRO . . . 95.55 -40.93 2.55 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.791 -0.718 . . . . 0.0 111.508 -177.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1112 ' ' GLN . . . . . 0.457 ' HB3' ' HD3' ' A' 1115 ' ' ARG . 1.5 mp0 -115.89 81.77 10.07 Favored Pre-proline 0 C--N 1.327 -0.399 0 N-CA-C 110.508 -0.182 . . . . 0.0 110.508 177.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1113 ' ' PRO . . . . . 0.418 ' HD3' ' O ' ' A' 1111 ' ' GLY . 18.6 Cg_exo -67.73 -3.22 9.94 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.904 2.403 . . . . 0.0 112.069 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -76.03 -27.56 57.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.114 175.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1115 ' ' ARG . . . . . 0.457 ' HD3' ' HB3' ' A' 1112 ' ' GLN . 3.8 mpt_? -90.4 90.46 8.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.217 178.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1116 ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.38 156.58 28.71 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 174.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 163.21 -168.38 37.92 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.195 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1118 ' ' VAL . . . . . 0.448 HG12 ' HE3' ' A' 1104 ' ' TRP . 13.8 t -105.84 117.33 51.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1119 ' ' PHE . . . . . 0.539 ' HZ ' HG22 ' A' 1096 ' ' VAL . 12.6 p90 -110.14 138.85 20.93 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.894 -0.593 . . . . 0.0 112.162 -176.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1120 ' ' PRO . . . . . 0.545 ' HD2' ' CE1' ' A' 1088 ' ' PHE . 53.9 Cg_endo -72.3 127.7 12.95 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 123.143 2.562 . . . . 0.0 112.211 175.044 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1121 ' ' VAL . . . . . 0.616 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 73.0 t -66.3 -13.48 16.09 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-O 121.594 0.711 . . . . 0.0 109.704 176.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1122 ' ' SER . . . . . 0.507 ' HB2' ' CD1' ' A' 1123 ' ' PHE . 0.9 OUTLIER -61.02 -25.84 67.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.703 178.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1123 ' ' PHE . . . . . 0.549 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 1.0 OUTLIER -115.39 5.79 14.66 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.854 0.359 . . . . 0.0 111.137 -175.394 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.616 ' CG2' ' HA ' ' A' 1121 ' ' VAL . 16.4 m -131.13 154.61 40.95 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-O 121.092 0.472 . . . . 0.0 111.646 -178.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -118.38 133.05 56.2 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 178.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1126 ' ' ILE . . . . . 0.512 ' HA ' HG12 ' A' 1072 ' ' VAL . 67.5 mt -83.12 129.37 37.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.094 0.474 . . . . 0.0 111.795 -171.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 8.0 mp -94.67 -41.64 9.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.653 -175.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 1128 ' ' SER . . . . . 0.577 ' HB2' ' HG3' ' A' 1070 ' ' ARG . 23.8 m -78.75 62.93 3.38 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.364 0.602 . . . . 0.0 110.515 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 12.8 t70 . . . . . 0 C--O 1.245 0.864 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.486 179.637 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 39.5 m . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 10.6 mt -71.75 123.68 26.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.279 0.561 . . . . 0.0 110.277 177.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1580 ' ' ILE . . . . . 0.422 ' O ' ' CE1' ' A' 1076 ' ' TYR . 1.6 mp -71.19 127.65 33.4 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.938 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.615 175.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 35.4 m 48.84 -143.72 0.47 Allowed 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 173.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -104.8 143.85 32.56 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 173.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1583 ' ' MET . . . . . 0.582 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 3.2 ttm -50.1 136.64 21.46 Favored Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -174.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1584 ' ' PRO . . . . . 0.766 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 87.3 Cg_endo -88.18 -174.84 1.22 Allowed 'Trans proline' 0 N--CA 1.447 -1.25 0 C-N-CA 123.738 2.959 . . . . 0.0 110.999 177.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 28.0 m -126.05 135.18 51.46 Favored 'General case' 0 C--N 1.307 -1.282 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -178.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1586 ' ' LYS . . . . . . . . . . . . . 28.1 ttpt -54.44 107.59 0.3 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 176.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 5.1 m -70.91 3.78 3.07 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.485 -174.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1588 ' ' SER . . . . . . . . . . . . . 26.1 t 71.93 149.38 0.09 Allowed 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.477 -178.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1589 ' ' ARG . . . . . 0.85 ' HE ' ' HG2' ' A' 1100 ' ' GLU . 38.9 ttt180 -93.05 119.29 32.13 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.796 -176.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1590 ' ' LYS . . . . . 0.474 ' HD2' ' H ' ' B' 1590 ' ' LYS . 7.7 mptt -65.48 -11.1 40.15 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.352 -174.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -100.46 3.25 42.86 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.59 179.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1592 ' ' LYS . . . . . 0.574 ' HG2' ' O ' ' B' 1589 ' ' ARG . 20.8 ptmt -115.38 131.82 56.81 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 177.276 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1593 ' ' LYS . . . . . 0.482 ' HA ' ' HD3' ' B' 1594 ' ' PRO . 36.0 ttmt -108.33 128.28 25.96 Favored Pre-proline 0 C--N 1.316 -0.865 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.676 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1594 ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' B' 1593 ' ' LYS . 5.4 Cg_exo -75.47 48.56 2.15 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 123.17 2.58 . . . . 0.0 111.936 175.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . -86.43 76.22 9.66 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.835 178.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.111 0 CA-C-N 114.905 -1.043 . . . . 0.0 110.997 -176.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 20.8 t . . . . . 0 N--CA 1.479 1.024 0 CA-C-O 121.556 0.693 . . . . 0.0 109.864 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 1070 ' ' ARG . . . . . 0.726 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 21.8 ttm180 -140.13 123.91 17.36 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 178.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 55.0 ttt-85 -98.24 127.7 44.31 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 120.25 -0.58 . . . . 0.0 111.122 -172.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1072 ' ' VAL . . . . . 0.61 HG12 ' HA ' ' A' 1126 ' ' ILE . 18.7 m -128.53 152.59 36.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.92 176.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1073 ' ' LYS . . . . . 0.638 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.3 OUTLIER -120.36 134.27 55.3 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 177.654 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1074 ' ' THR . . . . . 0.654 ' HA ' HG12 ' A' 1124 ' ' VAL . 65.4 p -71.43 115.83 11.05 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.455 0.645 . . . . 0.0 110.275 -177.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1075 ' ' ILE . . . . . 0.592 HD12 ' HB ' ' B' 1580 ' ' ILE . 11.1 pt -98.27 1.2 10.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-O 121.514 0.673 . . . . 0.0 109.714 -179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1076 ' ' TYR . . . . . 0.691 ' HB2' ' HB3' ' A' 1123 ' ' PHE . 32.5 m-85 -146.82 172.52 13.52 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.541 -1.209 . . . . 0.0 112.005 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -107.99 114.76 28.92 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.531 -1.213 . . . . 0.0 108.398 178.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1078 ' ' CYS . . . . . 0.602 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 47.0 t -126.32 145.43 50.44 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.999 0.428 . . . . 0.0 110.369 -177.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1079 ' ' GLN . . . . . 0.579 ' HA ' HG23 ' A' 1087 ' ' THR . 65.0 tt0 -126.78 145.63 50.55 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.224 -177.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1080 ' ' ALA . . . . . 0.608 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -66.13 143.42 57.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.384 -1.28 . . . . 0.0 112.365 -177.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -86.94 -35.5 18.87 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.688 173.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -134.99 178.47 7.0 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.813 -176.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 22.7 t70 -61.15 -40.3 93.32 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -172.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -94.83 51.98 1.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.232 0.539 . . . . 0.0 111.619 -173.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . 0.608 ' HB2' ' HB1' ' A' 1080 ' ' ALA . 9.2 mm-40 -129.35 -173.69 3.07 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 174.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . 0.772 HD23 ' HB3' ' A' 1119 ' ' PHE . 15.8 tp -124.2 123.8 41.06 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.805 0.336 . . . . 0.0 111.34 176.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . 0.579 HG23 ' HA ' ' A' 1079 ' ' GLN . 88.6 m -97.13 120.66 37.9 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 170.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1088 ' ' PHE . . . . . 0.783 ' HE2' ' HD2' ' A' 1120 ' ' PRO . 19.6 p90 -133.6 152.08 51.82 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 -178.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1089 ' ' ILE . . . . . 0.667 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -118.8 157.43 20.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.974 0.416 . . . . 0.0 110.87 178.547 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1090 ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -61.21 125.19 22.87 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.817 -172.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 116.08 -10.49 17.78 Favored Glycine 0 N--CA 1.451 -0.334 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.008 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -84.95 158.26 20.58 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.123 0.487 . . . . 0.0 111.377 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1093 ' ' VAL . . . . . 0.543 HG22 ' HG2' ' A' 1073 ' ' LYS . 63.3 t -121.94 125.89 73.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.073 178.212 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1094 ' ' ILE . . . . . 0.658 HG12 HG12 ' A' 1109 ' ' ILE . 44.7 mt -114.45 134.69 56.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.404 -176.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 51.2 mm -94.58 108.53 20.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 176.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1096 ' ' VAL . . . . . 0.726 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 99.2 t -70.19 124.53 26.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.316 -178.618 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 14.8 p -111.95 -25.78 9.23 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.119 178.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -148.29 -176.09 21.46 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.507 -176.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1099 ' ' GLU . . . . . 0.438 ' HA ' ' HA ' ' A' 1105 ' ' TRP . 18.8 tt0 -153.96 129.53 9.96 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.839 0.352 . . . . 0.0 110.658 -175.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1100 ' ' GLU . . . . . 0.477 ' HG2' HD11 ' A' 1106 ' ' ILE . 23.3 mm-40 -106.56 -50.77 3.06 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.485 0.66 . . . . 0.0 109.958 178.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1101 ' ' ASP . . . . . 0.77 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 19.6 t70 -133.55 174.37 10.5 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.738 -174.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -60.15 -38.86 84.41 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 178.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1103 ' ' GLU . . . . . 0.659 ' O ' ' HA ' ' A' 1120 ' ' PRO . 13.0 mt-10 -112.45 21.19 15.95 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.166 -179.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1104 ' ' TRP . . . . . 0.77 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 94.5 m95 -141.92 100.57 3.77 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.182 0.515 . . . . 0.0 111.395 -179.089 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1105 ' ' TRP . . . . . 0.456 ' CZ3' ' HD2' ' A' 1070 ' ' ARG . 44.9 m0 -111.35 163.89 13.51 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.992 -179.021 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1106 ' ' ILE . . . . . 0.642 HG12 HG22 ' A' 1118 ' ' VAL . 56.0 mt -115.59 137.57 48.78 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.954 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 -177.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . 0.402 ' N ' ' HE1' ' A' 1119 ' ' PHE . . . -175.47 -168.39 35.85 Favored Glycine 0 N--CA 1.436 -1.358 0 C-N-CA 119.573 -1.298 . . . . 0.0 112.429 177.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1108 ' ' HIS . . . . . 0.466 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 20.7 p-80 -139.78 144.42 37.38 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -178.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.658 HG12 HG12 ' A' 1094 ' ' ILE . 5.6 mt -70.03 141.42 17.14 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.402 -174.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -52.91 -62.08 1.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.442 -0.799 . . . . 0.0 112.78 -168.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -79.0 -25.4 59.96 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.56 -176.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.18 83.03 6.0 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 177.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -66.93 -22.86 47.9 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.199 2.599 . . . . 0.0 114.009 -169.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -89.09 -8.12 54.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.199 0.523 . . . . 0.0 110.656 -177.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -86.56 89.68 7.99 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 171.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1116 ' ' LYS . . . . . 0.466 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 16.3 pttp -130.13 158.58 39.28 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.787 -174.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 168.36 -163.23 36.99 Favored Glycine 0 N--CA 1.446 -0.68 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 -177.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1118 ' ' VAL . . . . . 0.642 HG22 HG12 ' A' 1106 ' ' ILE . 14.7 t -106.99 116.59 51.05 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 CA-C-O 121.11 0.481 . . . . 0.0 109.946 176.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1119 ' ' PHE . . . . . 0.772 ' HB3' HD23 ' A' 1086 ' ' LEU . 14.9 p90 -109.23 142.87 26.54 Favored Pre-proline 0 C--N 1.319 -0.744 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.701 -176.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1120 ' ' PRO . . . . . 0.783 ' HD2' ' HE2' ' A' 1088 ' ' PHE . 62.4 Cg_endo -76.46 125.13 8.15 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.545 2.163 . . . . 0.0 112.432 176.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1121 ' ' VAL . . . . . 0.605 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 96.0 t -62.85 -19.28 22.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 114.857 -1.065 . . . . 0.0 110.746 179.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1122 ' ' SER . . . . . 0.53 ' HB2' ' CD1' ' A' 1123 ' ' PHE . 1.3 m -61.17 -31.32 71.06 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.925 -179.185 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1123 ' ' PHE . . . . . 0.691 ' HB3' ' HB2' ' A' 1076 ' ' TYR . 0.1 OUTLIER -107.0 2.84 25.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.105 0.479 . . . . 0.0 110.413 -174.073 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.654 HG12 ' HA ' ' A' 1074 ' ' THR . 16.0 m -125.43 158.33 33.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.391 179.443 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1125 ' ' HIS . . . . . 0.555 ' HB2' HD13 ' A' 1075 ' ' ILE . 82.8 t60 -120.69 131.93 54.82 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1126 ' ' ILE . . . . . 0.61 ' HA ' HG12 ' A' 1072 ' ' VAL . 2.1 mp -76.58 131.37 34.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.219 -177.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . 0.638 HD11 ' HB2' ' A' 1073 ' ' LYS . 43.3 mt -115.31 80.86 1.49 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.028 -179.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 32.6 m -89.47 20.41 3.92 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.543 -179.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 10.4 m-20 . . . . . 0 C--O 1.248 1.008 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.156 175.463 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 21.1 m . . . . . 0 N--CA 1.477 0.892 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B 1579 ' ' ILE . . . . . . . . . . . . . 35.0 mt -94.18 133.94 33.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.991 0.424 . . . . 0.0 111.051 -177.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1580 ' ' ILE . . . . . 0.592 ' HB ' HD12 ' A' 1075 ' ' ILE . 1.6 mp -99.06 101.37 12.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.314 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1581 ' ' SER . . . . . 0.422 ' HB2' ' O ' ' B' 1580 ' ' ILE . 47.1 m 74.58 -140.89 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.19 -177.309 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -119.15 157.37 28.05 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 173.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1583 ' ' MET . . . . . 0.639 ' HA ' ' CE1' ' A' 1076 ' ' TYR . 31.9 ttm -42.01 119.52 2.17 Favored Pre-proline 0 C--O 1.236 0.391 0 O-C-N 123.925 0.765 . . . . 0.0 112.635 -170.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1584 ' ' PRO . . . . . 0.492 ' HD3' ' CZ ' ' A' 1076 ' ' TYR . 60.0 Cg_endo -71.75 -176.59 2.1 Favored 'Trans proline' 0 N--CA 1.454 -0.844 0 C-N-CA 123.062 2.508 . . . . 0.0 110.26 176.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 5.8 m -109.11 129.87 55.48 Favored 'General case' 0 N--CA 1.434 -1.23 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1586 ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -63.63 98.14 0.17 Allowed 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 174.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 19.9 m -71.67 77.87 0.83 Allowed 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.209 -178.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1588 ' ' SER . . . . . 0.639 ' O ' ' HD3' ' B' 1590 ' ' LYS . 4.5 m -29.48 128.03 0.1 Allowed 'General case' 0 N--CA 1.468 0.45 0 O-C-N 124.564 1.165 . . . . 0.0 113.39 -168.576 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1589 ' ' ARG . . . . . 0.482 ' HB3' ' HG2' ' B' 1592 ' ' LYS . 15.0 ttp85 -53.02 106.1 0.15 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.293 -0.867 . . . . 0.0 112.106 -172.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1590 ' ' LYS . . . . . 0.639 ' HD3' ' O ' ' B' 1588 ' ' SER . 0.0 OUTLIER -63.4 -15.7 58.33 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 114.828 -1.078 . . . . 0.0 111.374 -177.582 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -88.18 1.57 54.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.679 -177.213 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1592 ' ' LYS . . . . . 0.482 ' HG2' ' HB3' ' B' 1589 ' ' ARG . 17.9 ptmt -137.64 136.59 37.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.86 0.362 . . . . 0.0 110.366 178.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1593 ' ' LYS . . . . . 0.454 ' HA ' ' HD3' ' B' 1594 ' ' PRO . 31.5 mmtt -81.77 125.39 78.07 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.405 177.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B 1594 ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' B' 1593 ' ' LYS . 0.9 OUTLIER -85.15 23.58 0.83 Allowed 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 123.054 2.503 . . . . 0.0 111.813 175.246 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . -161.42 105.03 1.27 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.261 -177.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.373 -0.822 . . . . 0.0 109.419 173.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 15.9 m . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.557 0.217 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 1070 ' ' ARG . . . . . 0.735 ' HB3' ' HB ' ' A' 1096 ' ' VAL . 14.3 ttm180 -140.82 116.53 10.28 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.006 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1071 ' ' ARG . . . . . . . . . . . . . 45.1 ttt-85 -117.79 140.7 49.32 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 -177.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1072 ' ' VAL . . . . . 0.632 HG12 ' HA ' ' A' 1126 ' ' ILE . 18.4 m -133.99 154.8 38.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.772 0.32 . . . . 0.0 110.463 178.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1073 ' ' LYS . . . . . 0.575 ' HB2' HD11 ' A' 1127 ' ' LEU . 0.4 OUTLIER -122.71 136.23 54.81 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 176.263 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1074 ' ' THR . . . . . 0.588 ' HA ' HG12 ' A' 1124 ' ' VAL . 48.6 p -74.82 124.26 26.51 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.799 -175.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1075 ' ' ILE . . . . . 0.598 HG13 ' CD2' ' A' 1076 ' ' TYR . 16.1 pt -102.23 -2.93 9.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-O 121.556 0.693 . . . . 0.0 110.114 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1076 ' ' TYR . . . . . 0.779 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 95.0 m-85 -139.8 173.74 11.22 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 114.542 -1.208 . . . . 0.0 110.927 178.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1077 ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.61 131.13 54.13 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.662 175.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1078 ' ' CYS . . . . . 0.682 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 42.7 t -142.42 145.73 34.11 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.027 -176.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1079 ' ' GLN . . . . . 0.503 ' HA ' HG23 ' A' 1087 ' ' THR . 27.6 tt0 -129.01 149.44 50.83 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 121.328 0.585 . . . . 0.0 111.356 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1080 ' ' ALA . . . . . 0.489 ' HB1' ' HB2' ' A' 1085 ' ' GLU . . . -60.2 131.18 50.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.781 -1.1 . . . . 0.0 112.485 -176.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1081 ' ' ASP . . . . . . . . . . . . . 13.6 t70 -92.83 -24.75 18.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.009 176.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1082 ' ' ASN . . . . . 0.488 ' H ' ' HG3' ' A' 1085 ' ' GLU . 7.8 t-20 -145.67 -172.12 3.83 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.324 -172.161 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 20.0 t70 -61.61 -41.36 97.34 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -171.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 37.3 t70 -113.14 48.47 1.03 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.889 0.852 . . . . 0.0 110.624 -176.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . 0.59 ' HG2' HH21 ' B' 1589 ' ' ARG . 2.0 mm-40 -108.98 157.1 18.98 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.221 -0.9 . . . . 0.0 109.532 175.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . 0.564 HD23 ' HB3' ' A' 1119 ' ' PHE . 16.1 tp -105.29 129.27 53.68 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.762 0.315 . . . . 0.0 111.313 -177.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . 0.503 HG23 ' HA ' ' A' 1079 ' ' GLN . 60.4 m -100.91 119.67 39.04 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 171.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1088 ' ' PHE . . . . . 0.555 ' CZ ' ' HD2' ' A' 1120 ' ' PRO . 19.4 p90 -143.06 140.45 30.94 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.271 -176.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1089 ' ' ILE . . . . . 0.492 HD12 ' HB2' ' A' 1092 ' ' GLU . 1.8 pp -104.16 158.32 5.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.0 -178.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1090 ' ' GLU . . . . . 0.472 ' HG3' ' HA ' ' B' 1579 ' ' ILE . 2.9 tm-20 -59.19 123.35 16.37 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 110.84 -1.71 28.79 Favored Glycine 0 N--CA 1.454 -0.154 0 C-N-CA 120.852 -0.689 . . . . 0.0 111.79 -177.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1092 ' ' GLU . . . . . 0.492 ' HB2' HD12 ' A' 1089 ' ' ILE . 5.4 tp10 -84.83 160.79 20.13 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 62.1 t -129.51 131.68 66.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1094 ' ' ILE . . . . . 0.481 HG21 ' CE1' ' A' 1119 ' ' PHE . 10.4 mt -122.78 133.26 69.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.06 0.457 . . . . 0.0 110.85 -176.056 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1095 ' ' ILE . . . . . . . . . . . . . 44.9 mm -90.33 115.6 30.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 174.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1096 ' ' VAL . . . . . 0.735 ' HB ' ' HB3' ' A' 1070 ' ' ARG . 46.9 t -75.61 111.66 12.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.15 0.5 . . . . 0.0 110.645 -177.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1097 ' ' THR . . . . . 0.545 ' OG1' ' HA2' ' A' 1107 ' ' GLY . 64.3 p -98.08 -17.63 18.99 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.793 -178.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -169.06 -176.83 39.4 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.333 -0.937 . . . . 0.0 112.684 -179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -135.9 143.82 45.19 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 179.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1100 ' ' GLU . . . . . 0.491 ' HB2' HD11 ' A' 1106 ' ' ILE . 36.1 tt0 -122.54 -40.74 2.43 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.699 0.761 . . . . 0.0 109.285 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1101 ' ' ASP . . . . . 0.604 ' HB3' ' HB2' ' A' 1104 ' ' TRP . 10.1 t70 -126.4 -167.17 1.68 Allowed 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 114.827 -1.079 . . . . 0.0 108.357 -179.393 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1102 ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -86.98 -39.85 15.31 Favored 'General case' 0 C--N 1.312 -1.036 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 170.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1103 ' ' GLU . . . . . 0.435 ' O ' ' HA ' ' A' 1120 ' ' PRO . 22.6 tt0 -101.0 10.79 40.69 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 114.64 -1.163 . . . . 0.0 110.418 -177.446 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1104 ' ' TRP . . . . . 0.604 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 79.8 m95 -141.56 113.37 7.83 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.104 0.478 . . . . 0.0 111.474 -178.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1105 ' ' TRP . . . . . . . . . . . . . 44.5 m0 -115.0 164.1 14.64 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.762 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1106 ' ' ILE . . . . . 0.599 HG12 HG22 ' A' 1118 ' ' VAL . 18.7 mt -115.98 143.35 26.19 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.645 -174.212 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . 0.545 ' HA2' ' OG1' ' A' 1097 ' ' THR . . . 177.6 -158.14 23.17 Favored Glycine 0 N--CA 1.436 -1.361 0 C-N-CA 119.918 -1.134 . . . . 0.0 112.178 176.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1108 ' ' HIS . . . . . 0.4 ' HA ' ' HA ' ' A' 1116 ' ' LYS . 5.1 p-80 -143.22 151.56 40.74 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 -179.132 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.461 HD12 ' HG3' ' A' 1092 ' ' GLU . 36.9 mm -62.22 130.7 26.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.279 179.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -52.57 -57.16 10.86 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -170.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -82.87 0.94 89.3 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.877 -0.678 . . . . 0.0 113.182 -176.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1112 ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -143.93 86.0 8.78 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-O 121.08 0.467 . . . . 0.0 109.893 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -60.99 -29.05 87.23 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 123.352 2.701 . . . . 0.0 113.793 -171.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -78.57 -9.09 59.23 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.39 -177.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -87.66 89.43 7.99 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 171.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1116 ' ' LYS . . . . . 0.613 ' HD3' ' H ' ' A' 1116 ' ' LYS . 0.2 OUTLIER -125.29 165.17 18.81 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.53 -176.855 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 154.82 -167.22 32.63 Favored Glycine 0 N--CA 1.441 -1.01 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1118 ' ' VAL . . . . . 0.599 HG22 HG12 ' A' 1106 ' ' ILE . 15.5 t -104.29 122.18 56.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 120.964 0.411 . . . . 0.0 110.041 178.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1119 ' ' PHE . . . . . 0.564 ' HB3' HD23 ' A' 1086 ' ' LEU . 12.2 p90 -110.4 140.35 22.4 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.903 -178.199 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1120 ' ' PRO . . . . . 0.555 ' HD2' ' CZ ' ' A' 1088 ' ' PHE . 58.4 Cg_endo -73.42 123.17 8.48 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.741 2.294 . . . . 0.0 111.944 176.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1121 ' ' VAL . . . . . 0.559 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 57.4 t -62.48 -19.35 22.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.999 178.106 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1122 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.96 -22.82 67.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.886 177.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1123 ' ' PHE . . . . . 0.682 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.7 OUTLIER -111.48 2.02 17.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.88 0.371 . . . . 0.0 111.136 -176.274 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.588 HG12 ' HA ' ' A' 1074 ' ' THR . 17.0 m -129.53 165.5 29.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 121.035 0.445 . . . . 0.0 111.27 -178.114 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 64.4 t60 -126.12 130.55 51.27 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.251 -0.431 . . . . 0.0 109.929 -179.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1126 ' ' ILE . . . . . 0.632 ' HA ' HG12 ' A' 1072 ' ' VAL . 2.0 mp -73.87 132.56 33.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.472 -176.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . 0.575 HD11 ' HB2' ' A' 1073 ' ' LYS . 71.1 mt -124.05 59.93 1.14 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.045 0.45 . . . . 0.0 110.976 -177.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 6.0 p -87.36 8.25 25.3 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 122.026 0.917 . . . . 0.0 109.473 173.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 35.2 t70 . . . . . 0 C--O 1.247 0.965 0 CA-C-N 114.224 -1.353 . . . . 0.0 109.853 -179.486 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 62.8 m . . . . . 0 N--CA 1.477 0.886 0 CA-C-O 120.513 0.197 . . . . 0.0 110.691 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B 1579 ' ' ILE . . . . . 0.472 ' HA ' ' HG3' ' A' 1090 ' ' GLU . 37.6 mt -68.14 122.95 20.39 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 C-N-CA 120.309 -0.556 . . . . 0.0 109.827 175.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1580 ' ' ILE . . . . . 0.47 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.7 mp -70.4 119.6 16.81 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.96 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 175.28 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 74.1 m 54.62 -161.28 0.15 Allowed 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 171.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -85.41 155.68 21.17 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.339 168.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1583 ' ' MET . . . . . 0.448 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 2.9 ttm -60.7 135.61 92.45 Favored Pre-proline 0 C--N 1.323 -0.563 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -175.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1584 ' ' PRO . . . . . 0.779 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 86.5 Cg_endo -80.17 -175.59 2.78 Favored 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 123.301 2.667 . . . . 0.0 110.413 173.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 9.5 m -110.09 134.85 51.75 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 -177.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1586 ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -65.97 101.47 0.68 Allowed 'General case' 0 N--CA 1.442 -0.856 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 173.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 16.3 t -76.49 4.17 9.74 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.767 -169.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1588 ' ' SER . . . . . . . . . . . . . 21.8 m 67.12 155.5 0.1 Allowed 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 121.363 0.601 . . . . 0.0 110.445 -174.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1589 ' ' ARG . . . . . 0.612 ' HB2' ' HG3' ' B' 1592 ' ' LYS . 2.5 mtt180 -86.77 131.68 34.06 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 176.423 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1590 ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -76.94 -14.55 59.85 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 -175.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -86.81 -8.63 57.16 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 114.922 -1.035 . . . . 0.0 111.238 176.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1592 ' ' LYS . . . . . 0.612 ' HG3' ' HB2' ' B' 1589 ' ' ARG . 10.0 mtpm? -78.36 101.02 7.01 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-O 121.413 0.625 . . . . 0.0 109.982 177.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B 1593 ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -108.21 120.36 46.97 Favored Pre-proline 0 C--N 1.315 -0.914 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.339 -174.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1594 ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -70.04 82.87 0.78 Allowed 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 122.614 2.209 . . . . 0.0 112.128 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . 69.39 112.74 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.087 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 . . . . . 0 C--O 1.251 1.175 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.137 -179.059 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 1069 ' ' VAL . . . . . . . . . . . . . 46.7 t . . . . . 0 N--CA 1.478 0.954 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 1070 ' ' ARG . . . . . 0.529 ' HD3' ' CZ3' ' A' 1105 ' ' TRP . 33.2 ttm180 -94.23 119.82 33.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.472 0.653 . . . . 0.0 110.377 178.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1071 ' ' ARG . . . . . 0.455 ' HG3' HD13 ' A' 1095 ' ' ILE . 43.5 ttt180 -127.79 149.99 50.02 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.03 -0.987 . . . . 0.0 108.644 -175.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1072 ' ' VAL . . . . . 0.586 HG12 ' HA ' ' A' 1126 ' ' ILE . 29.9 m -137.04 151.51 27.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.137 0.494 . . . . 0.0 110.806 177.254 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1073 ' ' LYS . . . . . . . . . . . . . 2.6 tmtm? -116.36 137.8 51.86 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 177.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1074 ' ' THR . . . . . 0.561 ' HA ' HG12 ' A' 1124 ' ' VAL . 43.3 p -82.21 124.9 30.33 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.146 0.498 . . . . 0.0 110.572 -176.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1075 ' ' ILE . . . . . 0.662 HG13 ' CD2' ' A' 1076 ' ' TYR . 22.4 pt -106.55 0.68 10.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.588 -177.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1076 ' ' TYR . . . . . 0.766 ' CE1' ' HD3' ' B' 1584 ' ' PRO . 90.1 m-85 -141.79 171.51 13.96 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.858 -1.064 . . . . 0.0 111.199 179.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1077 ' ' ASP . . . . . 0.402 ' HA ' ' HA ' ' A' 1089 ' ' ILE . 19.3 m-20 -103.79 105.1 15.21 Favored 'General case' 0 CA--C 1.513 -0.481 0 CA-C-N 115.485 -0.78 . . . . 0.0 108.924 177.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1078 ' ' CYS . . . . . 0.611 ' HB2' ' CD2' ' A' 1123 ' ' PHE . 50.8 t -118.69 143.21 47.0 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-O 121.212 0.53 . . . . 0.0 110.598 -175.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1079 ' ' GLN . . . . . 0.543 ' HA ' HG23 ' A' 1087 ' ' THR . 50.7 tt0 -129.44 143.28 50.77 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.891 178.497 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1080 ' ' ALA . . . . . . . . . . . . . . . -55.86 127.06 28.41 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.993 -174.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1081 ' ' ASP . . . . . 0.55 ' HB2' ' HE2' ' B' 1586 ' ' LYS . 28.1 t70 -76.84 -49.03 16.71 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.364 177.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1082 ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -109.69 -171.22 1.8 Allowed 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 172.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1083 ' ' ASP . . . . . . . . . . . . . 20.9 t70 -74.27 -32.38 62.9 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.905 0.383 . . . . 0.0 111.371 -178.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1084 ' ' ASP . . . . . . . . . . . . . 36.9 t70 -80.24 -13.77 58.96 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.689 -171.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1085 ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -79.54 166.52 21.85 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.892 0.377 . . . . 0.0 110.862 177.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1086 ' ' LEU . . . . . . . . . . . . . 17.6 tp -104.74 140.51 37.97 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.216 -178.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1087 ' ' THR . . . . . 0.543 HG23 ' HA ' ' A' 1079 ' ' GLN . 89.8 m -102.77 116.62 32.93 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 172.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1088 ' ' PHE . . . . . 0.66 ' CE1' ' HD2' ' A' 1120 ' ' PRO . 25.1 p90 -140.18 135.48 32.47 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.128 -176.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1089 ' ' ILE . . . . . 0.717 ' H ' HD13 ' A' 1089 ' ' ILE . 0.2 OUTLIER -103.48 159.49 4.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.189 -175.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1090 ' ' GLU . . . . . 0.43 ' HG3' ' HA ' ' B' 1579 ' ' ILE . 3.0 tm-20 -59.4 126.45 27.7 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 -177.121 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1091 ' ' GLY . . . . . . . . . . . . . . . 106.01 -0.21 38.57 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.883 -0.675 . . . . 0.0 111.879 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1092 ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -89.68 161.92 15.86 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 179.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1093 ' ' VAL . . . . . . . . . . . . . 60.8 t -128.84 131.59 68.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -178.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1094 ' ' ILE . . . . . 0.52 ' HB ' ' CG2' ' A' 1072 ' ' VAL . 18.3 mt -118.79 136.11 57.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 121.073 0.463 . . . . 0.0 110.949 -177.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1095 ' ' ILE . . . . . 0.455 HD13 ' HG3' ' A' 1071 ' ' ARG . 48.0 mm -93.81 115.28 32.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 173.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1096 ' ' VAL . . . . . . . . . . . . . 21.4 t -76.9 118.63 23.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.015 0.436 . . . . 0.0 110.48 -176.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1097 ' ' THR . . . . . . . . . . . . . 33.6 p -97.09 -22.04 17.01 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.839 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1098 ' ' GLY . . . . . . . . . . . . . . . -170.33 -178.54 41.24 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.699 178.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1099 ' ' GLU . . . . . . . . . . . . . 21.6 mp0 -133.64 139.5 46.53 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1100 ' ' GLU . . . . . 0.702 ' HB2' HD11 ' A' 1106 ' ' ILE . 36.7 tt0 -120.94 -44.05 2.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.559 0.695 . . . . 0.0 109.507 -178.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1101 ' ' ASP . . . . . 0.698 ' OD2' ' HG2' ' B' 1590 ' ' LYS . 8.9 t70 -113.85 -171.29 1.87 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 114.575 -1.193 . . . . 0.0 107.84 177.542 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1102 ' ' GLN . . . . . 0.572 ' HG3' ' HG3' ' A' 1103 ' ' GLU . 28.9 pt20 -91.99 -31.11 15.73 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 173.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1103 ' ' GLU . . . . . 0.572 ' HG3' ' HG3' ' A' 1102 ' ' GLN . 36.5 mt-10 -104.35 9.78 35.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.719 -1.128 . . . . 0.0 110.638 178.137 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1104 ' ' TRP . . . . . 0.655 ' HB2' ' HB3' ' A' 1101 ' ' ASP . 83.6 m95 -141.78 111.19 6.45 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-O 121.53 0.681 . . . . 0.0 111.615 -177.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1105 ' ' TRP . . . . . 0.529 ' CZ3' ' HD3' ' A' 1070 ' ' ARG . 40.9 m0 -115.26 163.26 15.93 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.211 -179.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1106 ' ' ILE . . . . . 0.702 HD11 ' HB2' ' A' 1100 ' ' GLU . 3.4 mp -114.49 140.76 33.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 -175.375 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1107 ' ' GLY . . . . . . . . . . . . . . . -177.89 -159.03 22.02 Favored Glycine 0 N--CA 1.433 -1.512 0 C-N-CA 119.735 -1.222 . . . . 0.0 111.856 175.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1108 ' ' HIS . . . . . 0.488 ' HB3' ' HB3' ' A' 1116 ' ' LYS . 6.7 p-80 -144.79 152.95 41.11 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1109 ' ' ILE . . . . . 0.477 HG21 ' NE2' ' A' 1112 ' ' GLN . 26.1 mm -61.4 140.06 19.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 179.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1110 ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -60.22 -57.63 11.96 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.243 -176.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1111 ' ' GLY . . . . . . . . . . . . . . . -73.23 -26.04 71.6 Favored Glycine 0 C--N 1.331 0.293 0 C-N-CA 121.083 -0.579 . . . . 0.0 112.913 -179.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1112 ' ' GLN . . . . . 0.477 ' NE2' HG21 ' A' 1109 ' ' ILE . 1.2 mp0 -120.2 84.36 33.96 Favored Pre-proline 0 C--N 1.327 -0.4 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 178.185 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1113 ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -66.47 -20.0 54.6 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.235 2.624 . . . . 0.0 113.201 -173.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1114 ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -79.27 -14.55 58.96 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.941 0.4 . . . . 0.0 110.572 -178.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1115 ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -93.85 93.65 8.06 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.096 0.475 . . . . 0.0 109.884 177.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1116 ' ' LYS . . . . . 0.488 ' HB3' ' HB3' ' A' 1108 ' ' HIS . 0.0 OUTLIER -121.52 166.83 13.59 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.431 -177.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1117 ' ' GLY . . . . . . . . . . . . . . . 158.8 -172.35 35.6 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.434 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1118 ' ' VAL . . . . . . . . . . . . . 17.8 t -101.93 116.27 45.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.233 0.539 . . . . 0.0 110.151 178.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1119 ' ' PHE . . . . . 0.438 ' CE1' HG21 ' A' 1094 ' ' ILE . 16.2 p90 -106.08 139.78 20.61 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.587 -176.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1120 ' ' PRO . . . . . 0.66 ' HD2' ' CE1' ' A' 1088 ' ' PHE . 41.4 Cg_endo -72.74 123.4 8.96 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 122.508 2.139 . . . . 0.0 112.699 176.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1121 ' ' VAL . . . . . 0.601 ' HA ' ' CG2' ' A' 1124 ' ' VAL . 68.5 t -60.32 -19.99 19.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 114.812 -1.085 . . . . 0.0 110.568 176.308 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1122 ' ' SER . . . . . 0.536 ' HB2' ' HD1' ' A' 1123 ' ' PHE . 4.6 m -60.19 -27.3 67.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.766 178.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1123 ' ' PHE . . . . . 0.611 ' CD2' ' HB2' ' A' 1078 ' ' CYS . 0.5 OUTLIER -110.6 3.48 19.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.793 0.33 . . . . 0.0 111.047 -173.613 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 1124 ' ' VAL . . . . . 0.601 ' CG2' ' HA ' ' A' 1121 ' ' VAL . 13.2 m -129.05 168.56 22.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.09 0.471 . . . . 0.0 111.62 -177.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1125 ' ' HIS . . . . . . . . . . . . . 24.7 t60 -129.4 138.15 51.33 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.548 -0.751 . . . . 0.0 108.988 -178.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1126 ' ' ILE . . . . . 0.586 ' HA ' HG12 ' A' 1072 ' ' VAL . 1.8 mp -82.06 123.22 37.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.509 0.671 . . . . 0.0 111.722 -172.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 1127 ' ' LEU . . . . . . . . . . . . . 9.7 mp -112.64 88.71 2.89 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.984 0.897 . . . . 0.0 110.858 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1128 ' ' SER . . . . . . . . . . . . . 61.8 m -152.4 22.4 0.63 Allowed 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 114.387 -1.279 . . . . 0.0 108.368 177.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 1129 ' ' ASP . . . . . . . . . . . . . 19.9 t70 . . . . . 0 C--O 1.243 0.753 0 CA-C-N 114.237 -1.347 . . . . 0.0 109.409 -174.94 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B 1578 ' ' CYS . . . . . . . . . . . . . 28.4 m . . . . . 0 N--CA 1.479 0.985 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B 1579 ' ' ILE . . . . . 0.43 ' HA ' ' HG3' ' A' 1090 ' ' GLU . 33.0 mt -64.68 127.53 25.64 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.371 0 CA-C-O 121.256 0.55 . . . . 0.0 110.324 178.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1580 ' ' ILE . . . . . 0.535 ' HB ' ' HB ' ' A' 1075 ' ' ILE . 1.7 mp -80.74 108.39 14.05 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.639 175.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1581 ' ' SER . . . . . . . . . . . . . 39.1 m 61.02 -154.52 0.36 Allowed 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.333 0.587 . . . . 0.0 112.067 171.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1582 ' ' ALA . . . . . . . . . . . . . . . -88.98 161.37 16.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.692 -0.685 . . . . 0.0 109.344 171.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1583 ' ' MET . . . . . 0.598 ' HG3' ' HD2' ' B' 1584 ' ' PRO . 4.5 ttm -68.36 138.95 91.81 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -173.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1584 ' ' PRO . . . . . 0.766 ' HD3' ' CE1' ' A' 1076 ' ' TYR . 78.6 Cg_endo -84.8 -175.72 2.19 Favored 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 123.492 2.795 . . . . 0.0 111.326 175.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1585 ' ' THR . . . . . . . . . . . . . 27.3 m -111.9 132.27 54.84 Favored 'General case' 0 C--N 1.311 -1.102 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 -179.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1586 ' ' LYS . . . . . 0.55 ' HE2' ' HB2' ' A' 1081 ' ' ASP . 2.5 tmmt? -59.79 103.05 0.18 Allowed 'General case' 0 N--CA 1.446 -0.664 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 175.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1587 ' ' SER . . . . . . . . . . . . . 15.6 t -74.26 4.14 6.19 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.785 -1.098 . . . . 0.0 113.723 -164.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1588 ' ' SER . . . . . . . . . . . . . 25.1 m 68.35 141.43 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 121.05 0.452 . . . . 0.0 111.617 -179.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1589 ' ' ARG . . . . . 0.783 ' HB2' ' HG2' ' B' 1592 ' ' LYS . 2.7 mtm180 -85.31 133.76 34.14 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 173.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1590 ' ' LYS . . . . . 0.698 ' HG2' ' OD2' ' A' 1101 ' ' ASP . 27.2 mmtt -78.6 -13.15 59.97 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 -176.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1591 ' ' ALA . . . . . . . . . . . . . . . -82.71 -8.76 59.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.327 177.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1592 ' ' LYS . . . . . 0.783 ' HG2' ' HB2' ' B' 1589 ' ' ARG . 20.2 ptmt -129.28 149.65 50.98 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.925 0.393 . . . . 0.0 110.267 178.445 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1593 ' ' LYS . . . . . 0.567 ' H ' ' HD3' ' B' 1593 ' ' LYS . 0.0 OUTLIER -95.39 136.85 22.24 Favored Pre-proline 0 C--N 1.319 -0.758 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.085 176.287 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B 1594 ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' B' 1593 ' ' LYS . 13.6 Cg_exo -68.7 76.91 0.76 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.206 2.604 . . . . 0.0 111.797 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B 1595 ' ' ALA . . . . . . . . . . . . . . . -128.06 166.84 17.66 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.765 -178.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B 1596 ' ' GLN . . . . . . . . . . . . . 6.9 pt20 . . . . . 0 C--O 1.249 1.054 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.948 176.231 . . . . . . . . 0 0 . 1 stop_ save_