data_1ugl_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 1ugl _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.7 mtm105 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.363 0.125 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.747 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 25.1 p -45.93 115.71 1.04 Allowed 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.642 0.258 . . . . 0.0 111.173 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.62 HG21 ' H ' ' A' ' 45' ' ' CYS . 0.6 OUTLIER 58.19 161.13 0.03 OUTLIER 'General case' 0 C--O 1.231 0.104 0 CA-C-O 121.334 0.588 . . . . 0.0 111.976 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.546 ' H ' ' NZ ' ' A' ' 12' ' ' LYS . 7.8 mtp85 -107.62 30.65 6.09 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.33 18.77 5.29 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.165 -178.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 62.29 90.61 0.07 Allowed 'General case' 0 C--O 1.231 0.107 0 CA-C-N 115.679 -0.261 . . . . 0.0 110.529 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.474 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -159.85 53.78 0.36 Allowed 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -179.674 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.826 ' HE3' ' HG2' ' A' ' 23' ' ' LYS . 8.7 mptt -114.4 158.43 21.54 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.418 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -150.24 156.1 40.94 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -178.465 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.489 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 100.53 49.68 1.38 Allowed Glycine 0 C--N 1.338 0.674 0 CA-C-N 115.22 -0.9 . . . . 0.0 113.583 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.494 ' N ' ' CE1' ' A' ' 43' ' ' HIS . 0.9 OUTLIER 29.19 82.94 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.497 0.319 . . . . 0.0 111.475 -179.889 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.433 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 49.55 51.15 16.97 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.428 0.632 . . . . 0.0 109.921 -178.738 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.522 HG23 ' H ' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -67.63 154.67 40.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.185 -179.474 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.546 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.1 m -54.6 -51.83 64.1 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.14 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.43 HD13 ' O ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -54.7 -25.47 27.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.39 179.759 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.679 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -78.3 -45.89 21.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.225 179.454 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.595 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 2.4 pt-20 -67.84 -25.84 65.75 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 178.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.96 -36.16 49.47 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.603 178.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.826 ' HG2' ' HE3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -56.77 -48.0 78.85 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.678 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.685 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 3.9 m -69.23 -33.78 73.81 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.096 -0.956 . . . . 0.0 112.307 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.524 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -80.3 -69.15 0.61 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -178.864 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.533 ' OG1' HD12 ' A' ' 27' ' ' LEU . 23.4 p -50.68 -40.7 54.44 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -179.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.636 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.6 mp -85.56 -38.94 17.93 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 120.591 -0.443 . . . . 0.0 112.014 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.51 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -113.05 112.16 50.17 Favored Pre-proline 0 CA--C 1.53 0.199 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.431 -178.591 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -82.5 67.43 7.97 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.554 2.169 . . . . 0.0 111.49 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.715 ' HD3' ' H ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -108.93 169.69 8.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.339 0.59 . . . . 0.0 112.09 -178.88 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.715 ' H ' ' HD3' ' A' ' 30' ' ' ARG . . . -108.17 -19.57 8.89 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.944 178.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -112.36 15.55 20.27 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.222 0.534 . . . . 0.0 110.167 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.685 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 12.0 t -99.75 150.79 21.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.402 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.483 ' HB ' ' O ' ' A' ' 33' ' ' CYS . 6.9 t 177.76 -152.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.985 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -98.01 129.39 44.88 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-O 120.987 0.422 . . . . 0.0 110.658 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.564 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 3.1 p -136.57 125.49 24.21 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.299 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.451 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 26.0 t70 -135.04 159.3 41.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.454 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.89 -74.57 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.712 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -168.96 43.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.687 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 34.9 mtt -139.77 -168.83 2.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.86 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -88.04 -18.29 29.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.953 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.08 141.35 48.12 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.434 0.635 . . . . 0.0 111.672 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.618 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 5.0 p-80 -151.51 -171.28 3.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.274 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.509 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 93.2 p -154.32 -151.23 0.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.979 177.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.62 ' H ' HG21 ' A' ' 7' ' ' THR . 22.0 m -100.08 175.53 5.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.889 0.376 . . . . 0.0 111.757 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -150.69 36.58 0.64 Allowed 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.607 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.583 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -59.85 -24.04 63.89 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 121.302 0.572 . . . . 0.0 110.036 179.193 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.747 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.2 OUTLIER -139.46 129.48 25.03 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.522 -179.611 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.8 t -51.05 90.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.666 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.408 ' N ' ' O ' ' A' ' 48' ' ' LYS . 20.7 p . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.858 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.828 0.347 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.722 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 5.4 p -49.58 132.06 21.24 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.949 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.67 ' H ' ' HB2' ' A' ' 45' ' ' CYS . 0.2 OUTLIER 58.7 157.25 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.287 0.565 . . . . 0.0 112.227 179.477 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -100.25 32.55 2.96 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.32 20.62 6.95 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.021 -178.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.433 ' HD1' ' OG ' ' A' ' 44' ' ' SER . 70.1 t80 63.44 91.69 0.07 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.609 -0.295 . . . . 0.0 110.687 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.58 50.6 0.23 Allowed 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.708 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -113.0 157.35 21.63 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 178.088 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.431 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -150.02 155.72 40.41 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -178.188 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.497 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 103.1 46.22 1.49 Allowed Glycine 0 C--N 1.338 0.677 0 CA-C-N 115.231 -0.895 . . . . 0.0 113.442 179.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.51 ' N ' ' CE1' ' A' ' 43' ' ' HIS . 0.0 OUTLIER 31.23 83.14 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.511 0.324 . . . . 0.0 111.168 -179.662 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.427 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 49.42 50.91 17.34 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 121.514 0.673 . . . . 0.0 109.517 -178.479 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.563 HG23 ' H ' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -69.07 156.8 38.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.378 -179.092 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.52 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.1 m -55.25 -53.32 57.59 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.128 179.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.21 -25.99 16.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.608 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.708 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -79.27 -46.38 17.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.516 179.698 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.616 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 4.7 pt-20 -66.07 -26.15 67.36 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.62 -40.38 34.57 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.875 179.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.614 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -52.33 -45.81 65.8 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 121.359 0.6 . . . . 0.0 109.77 178.911 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.613 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 11.0 m -66.34 -51.25 59.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.541 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.12 -65.61 0.7 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -178.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.504 ' OG1' HD11 ' A' ' 27' ' ' LEU . 26.6 p -47.53 -43.74 25.17 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -178.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.614 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.1 mp -85.29 -38.73 18.5 Favored 'General case' 0 C--O 1.231 0.113 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.726 -179.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.496 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -112.72 113.29 50.34 Favored Pre-proline 0 C--N 1.331 -0.21 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.994 -178.765 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -78.42 65.15 8.57 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.615 2.21 . . . . 0.0 111.109 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.618 ' HG3' ' HB3' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -104.28 170.65 7.78 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.373 0.606 . . . . 0.0 112.167 -178.799 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.563 ' H ' ' HD3' ' A' ' 30' ' ' ARG . . . -117.13 -17.17 5.88 Favored Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.089 -0.959 . . . . 0.0 111.013 178.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.436 ' HG2' HH11 ' A' ' 30' ' ' ARG . 0.3 OUTLIER -112.73 12.19 19.6 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.117 0.484 . . . . 0.0 110.29 179.411 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.613 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 9.3 t -99.83 158.34 15.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.249 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.519 ' HB ' ' O ' ' A' ' 33' ' ' CYS . 9.3 t 175.83 -152.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.718 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.4 p -97.73 124.84 42.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.186 0.517 . . . . 0.0 110.793 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.567 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 12.1 p -129.05 124.63 35.37 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.299 -179.048 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.405 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 19.4 t70 -134.98 156.96 48.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.279 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.63 -72.6 0.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.947 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.5 pttm -168.5 43.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.705 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 54.7 mtm -143.52 -179.4 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -78.17 -18.98 54.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.045 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.424 HG21 ' HB3' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -112.96 140.88 47.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.45 0.643 . . . . 0.0 111.739 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.604 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 4.7 p-80 -151.57 -171.52 3.96 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.076 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.548 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 82.0 p -153.99 -149.66 0.29 Allowed 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.957 177.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.67 ' HB2' ' H ' ' A' ' 7' ' ' THR . 58.6 m -99.77 175.92 5.63 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.024 0.44 . . . . 0.0 111.613 -179.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -151.05 39.39 0.68 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.611 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.618 ' HB3' ' HG3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -59.45 -23.93 63.11 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.295 0.569 . . . . 0.0 110.0 179.249 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.722 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.4 OUTLIER -135.69 133.33 37.99 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.363 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.6 t -43.35 93.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.09 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' A' ' 48' ' ' LYS . 29.6 p . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.891 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.3 ttt-85 . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.755 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 2.0 p -47.47 129.8 13.42 Favored 'General case' 0 N--CA 1.461 0.1 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.16 178.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.609 HG21 ' H ' ' A' ' 45' ' ' CYS . 0.6 OUTLIER 58.61 168.87 0.06 Allowed 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.238 0.542 . . . . 0.0 111.509 -179.775 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.553 ' H ' ' HZ2' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -109.22 34.32 3.81 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.733 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.07 21.15 7.54 Favored Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.265 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.405 ' HD1' ' OG ' ' A' ' 44' ' ' SER . 71.6 t80 64.03 91.51 0.07 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.671 -0.265 . . . . 0.0 110.542 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.43 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -161.82 51.43 0.22 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.789 ' HG3' ' HE2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -112.66 157.54 21.12 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 177.906 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.42 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.3 OUTLIER -149.94 156.41 41.69 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -177.837 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.489 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 102.02 50.06 1.19 Allowed Glycine 0 C--N 1.339 0.695 0 CA-C-N 115.238 -0.892 . . . . 0.0 113.445 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 14' ' ' GLY . 12.1 mttt 23.27 82.9 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 122.774 0.43 . . . . 0.0 111.366 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.416 ' H ' ' NE2' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 53.81 57.25 6.21 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.515 0.674 . . . . 0.0 109.651 -178.308 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.596 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -76.79 157.6 31.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.404 -179.059 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.573 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -55.8 -57.56 11.5 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.94 178.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.28 -22.76 4.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.608 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.596 ' H ' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -77.78 -51.06 11.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.448 179.717 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.581 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 5.7 pt-20 -64.92 -26.73 68.43 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.02 -36.13 41.6 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.062 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.789 ' HE2' ' HG3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -55.97 -47.37 77.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.4 0.619 . . . . 0.0 109.426 178.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.662 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 3.6 m -69.43 -37.95 77.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.091 -0.958 . . . . 0.0 112.422 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.511 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -76.92 -67.67 0.68 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -178.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.489 ' OG1' HD11 ' A' ' 27' ' ' LEU . 30.8 p -51.31 -41.34 60.44 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -178.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.623 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.9 mp -85.36 -39.11 17.99 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.828 -179.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.515 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.3 OUTLIER -111.82 111.3 54.09 Favored Pre-proline 0 CA--C 1.529 0.173 0 C-N-CA 120.879 -0.329 . . . . 0.0 111.302 -178.599 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -80.44 65.76 8.88 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.431 2.087 . . . . 0.0 111.554 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.407 ' CB ' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -109.42 166.07 11.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.25 0.547 . . . . 0.0 112.146 -178.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -106.85 -17.92 11.3 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.907 178.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -112.62 15.06 20.15 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.061 0.458 . . . . 0.0 110.255 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.662 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 15.3 t -99.71 154.02 18.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.27 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.528 ' HB ' ' O ' ' A' ' 33' ' ' CYS . 7.3 t 175.22 -151.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.771 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -97.54 131.68 43.92 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.984 0.421 . . . . 0.0 111.026 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.421 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 30.7 t -134.57 125.59 27.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.78 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.401 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 23.4 t0 -135.14 156.39 49.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.821 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.8 t -103.65 -71.21 0.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -169.61 40.87 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.757 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.0 mtt -143.65 159.6 42.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -57.04 -27.53 61.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.16 141.53 34.85 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.419 0.628 . . . . 0.0 111.641 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.625 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 4.3 p-80 -151.21 -173.0 4.36 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.032 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.555 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 96.5 p -153.63 -152.96 0.44 Allowed 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.778 177.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.609 ' H ' HG21 ' A' ' 7' ' ' THR . 28.8 m -99.8 174.63 6.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.068 0.461 . . . . 0.0 111.979 -179.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -151.08 49.63 0.84 Allowed 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.306 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.512 ' HB3' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -73.29 -21.42 60.59 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 121.381 0.61 . . . . 0.0 109.765 179.14 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.755 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 2.0 tmtt? -131.5 132.97 44.63 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.155 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 t -48.11 89.1 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.629 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 48' ' ' LYS . 28.3 p . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.222 -0.894 . . . . 0.0 111.05 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.682 0.277 . . . . 0.0 111.451 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.562 ' HA ' ' SG ' ' A' ' 47' ' ' CYS . 27.1 p -44.67 135.71 4.79 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.05 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.72 HG21 ' H ' ' A' ' 45' ' ' CYS . 0.6 OUTLIER 57.43 173.57 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.27 0.557 . . . . 0.0 112.228 179.253 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.532 ' HD3' HD21 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -115.17 27.99 9.0 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.079 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.0 16.23 3.65 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 114.516 -1.22 . . . . 0.0 110.977 -178.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.1 t80 64.26 92.72 0.07 Allowed 'General case' 0 C--O 1.231 0.107 0 CA-C-N 115.639 -0.28 . . . . 0.0 110.742 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.483 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -162.02 51.96 0.22 Allowed 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -179.834 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.74 ' HE3' ' HG2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -111.67 155.26 23.7 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 177.81 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.462 ' HB3' HG23 ' A' ' 42' ' ' THR . 0.0 OUTLIER -150.26 155.97 40.69 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 -177.779 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.603 ' HA3' ' HG1' ' A' ' 17' ' ' THR . . . 104.73 46.28 1.31 Allowed Glycine 0 C--N 1.338 0.65 0 CA-C-N 115.267 -0.879 . . . . 0.0 113.403 179.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.495 ' N ' ' HE1' ' A' ' 43' ' ' HIS . 2.7 mttt 30.31 84.16 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 122.56 0.344 . . . . 0.0 111.311 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER 50.65 51.42 16.96 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-O 121.535 0.684 . . . . 0.0 109.701 -178.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.603 ' HG1' ' HA3' ' A' ' 14' ' ' GLY . 0.7 OUTLIER -71.25 155.75 40.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.131 -179.234 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.552 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.5 m -53.99 -56.6 16.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.966 179.19 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.22 -25.15 3.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.962 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.662 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -77.46 -51.58 10.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.587 179.798 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.606 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 9.3 pt-20 -64.59 -28.03 69.35 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.69 -35.33 57.96 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.851 179.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.74 ' HG2' ' HE3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -56.37 -51.16 69.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.419 0.628 . . . . 0.0 109.328 178.822 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.451 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 2.8 m -68.44 -31.08 70.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.088 -0.96 . . . . 0.0 112.191 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.53 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -81.15 -71.45 0.47 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.038 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.554 ' HG1' HD12 ' A' ' 27' ' ' LEU . 47.8 p -47.79 -39.78 19.11 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -179.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.593 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.5 mp -85.52 -37.95 19.09 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 120.683 -0.407 . . . . 0.0 112.069 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.509 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -114.28 115.39 45.03 Favored Pre-proline 0 CA--C 1.529 0.157 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.277 -178.72 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -83.82 65.38 7.29 Favored 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.448 2.099 . . . . 0.0 111.095 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.568 ' HD3' ' H ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -114.54 179.06 4.06 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.404 0.621 . . . . 0.0 112.417 -178.53 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.568 ' H ' ' HD3' ' A' ' 30' ' ' ARG . . . -119.05 -34.51 1.03 Allowed Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.272 178.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.52 11.24 27.05 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.296 0.57 . . . . 0.0 109.986 179.013 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.509 ' SG ' ' HD2' ' A' ' 28' ' ' TYR . 36.5 t -105.89 148.13 27.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.367 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.474 ' HB ' ' O ' ' A' ' 33' ' ' CYS . 13.2 t 178.21 -146.23 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.97 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.474 ' H ' ' HG1' ' A' ' 34' ' ' THR . 0.2 OUTLIER -97.39 139.79 32.82 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.092 0.472 . . . . 0.0 111.297 -179.484 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.0 109.11 5.76 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.589 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.466 ' HA ' ' HB3' ' A' ' 43' ' ' HIS . 2.4 p-10 -115.83 165.27 13.27 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.201 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 p -110.05 -87.59 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.775 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.85 59.72 0.03 OUTLIER 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.931 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -148.01 -85.66 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -169.58 -33.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.414 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.462 HG23 ' HB3' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -99.54 140.38 33.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.276 0.56 . . . . 0.0 111.044 179.682 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.645 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 5.9 p-80 -150.79 -176.94 5.71 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.343 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.604 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 94.1 p -153.62 -155.13 0.57 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.098 178.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.72 ' H ' HG21 ' A' ' 7' ' ' THR . 9.7 m -99.45 171.2 8.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.91 0.386 . . . . 0.0 111.63 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -150.62 47.9 0.88 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.241 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.562 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -60.96 -26.68 67.72 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 121.415 0.626 . . . . 0.0 109.909 179.062 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.511 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -141.87 124.87 16.21 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.461 179.798 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 t -34.72 96.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.74 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.726 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.744 0.307 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.789 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 11.1 p -55.92 121.0 8.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.488 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.438 HG23 ' H ' ' A' ' 45' ' ' CYS . 1.1 p 63.68 128.81 0.01 OUTLIER 'General case' 0 C--O 1.23 0.069 0 CA-C-O 121.18 0.514 . . . . 0.0 111.259 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.819 ' HD2' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.01 36.39 1.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.303 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 127.22 5.92 5.46 Favored Glycine 0 N--CA 1.444 -0.803 0 CA-C-N 114.748 -1.115 . . . . 0.0 110.973 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.417 ' HD1' ' HB3' ' A' ' 44' ' ' SER . 19.3 t80 56.53 88.88 0.05 OUTLIER 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 115.655 -0.272 . . . . 0.0 110.345 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.495 ' HB3' HH11 ' A' ' 11' ' ' ARG . 0.0 OUTLIER -163.83 52.75 0.15 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -179.745 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.732 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -109.04 157.45 18.69 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 176.916 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.461 ' HB3' HG22 ' A' ' 42' ' ' THR . 0.5 OUTLIER -150.51 159.14 44.7 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -177.572 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.467 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 102.96 44.81 1.7 Allowed Glycine 0 C--N 1.336 0.577 0 CA-C-N 115.223 -0.899 . . . . 0.0 113.596 178.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.458 ' N ' ' CE1' ' A' ' 43' ' ' HIS . 1.5 mttt 27.06 84.02 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 122.573 0.349 . . . . 0.0 111.413 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t 55.19 51.36 13.36 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.385 0.612 . . . . 0.0 109.789 -178.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.457 ' HB ' ' O ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -76.57 153.91 34.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.278 -179.31 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.514 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -54.32 -52.79 60.4 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.076 179.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.21 -26.74 4.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.853 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.59 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -78.34 -50.86 11.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.489 179.766 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.571 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 4.5 pt-20 -63.85 -23.31 67.3 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.17 -36.69 24.52 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.073 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.484 ' HG2' ' NH2' ' A' ' 8' ' ' ARG . 0.1 OUTLIER -53.67 -43.19 68.66 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.345 0.593 . . . . 0.0 109.501 178.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.2 m -76.66 -42.35 42.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.139 -0.937 . . . . 0.0 112.171 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.544 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -65.85 -28.11 68.73 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 -178.562 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.2 p -85.65 -34.27 21.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.735 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.819 HD22 ' HD2' ' A' ' 8' ' ' ARG . 0.5 OUTLIER -85.15 -46.49 11.05 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -178.885 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.594 ' HE2' HH11 ' A' ' 8' ' ' ARG . 1.4 m-85 -133.16 112.84 13.32 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.458 -178.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -79.87 69.6 7.87 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.799 2.332 . . . . 0.0 111.635 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.632 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 11.6 mmm180 -110.8 -172.09 1.96 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.492 -179.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -105.72 -29.11 5.12 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.394 179.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.422 ' C ' ' HA ' ' A' ' 47' ' ' CYS . 2.4 mt-30 -105.31 9.47 33.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.295 0.569 . . . . 0.0 110.332 179.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.632 ' HB2' ' HB2' ' A' ' 30' ' ' ARG . 4.6 t -99.72 74.76 1.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.842 179.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.9 t -131.81 -132.63 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.116 -178.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -98.17 131.71 44.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.03 0.443 . . . . 0.0 111.064 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.2 t -137.68 111.84 8.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.775 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.476 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 38.8 t70 -129.75 158.54 39.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.881 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.5 t -105.82 -67.67 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.831 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.73 47.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.44 -177.79 5.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.805 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -79.12 -31.68 44.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.732 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.461 HG22 ' HB3' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -99.84 143.73 29.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.355 0.598 . . . . 0.0 111.443 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.621 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 2.8 p-80 -151.22 -178.47 6.66 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.374 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.504 ' HA ' ' CD ' ' A' ' 12' ' ' LYS . 80.4 p -152.43 -150.15 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.937 177.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.491 ' HB2' HH12 ' A' ' 8' ' ' ARG . 0.1 OUTLIER -101.95 176.15 5.3 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -178.511 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -150.94 30.28 0.64 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.249 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.598 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -50.23 -27.49 6.07 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.477 0.656 . . . . 0.0 110.268 179.564 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.789 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -133.77 138.59 45.82 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.655 -179.746 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.25 94.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.971 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 28.1 p . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.879 -179.832 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.844 0.355 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.794 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 19.0 p -51.3 139.89 18.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.896 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.861 ' H ' ' HB2' ' A' ' 45' ' ' CYS . 0.4 OUTLIER 53.14 -172.16 0.04 OUTLIER 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 121.421 0.629 . . . . 0.0 111.675 179.6 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.678 ' HD2' HD21 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -145.35 32.54 1.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.243 -0.889 . . . . 0.0 108.797 179.257 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.81 8.62 5.13 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 114.543 -1.208 . . . . 0.0 110.652 -178.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.2 t80 56.38 85.83 0.07 Allowed 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.486 -0.357 . . . . 0.0 110.421 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.463 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -154.51 51.51 0.64 Allowed 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -179.658 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.877 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 5.0 mptt -111.08 159.06 18.15 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 178.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.71 156.49 41.42 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -178.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.493 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 100.37 52.02 1.18 Allowed Glycine 0 C--N 1.338 0.674 0 CA-C-N 115.214 -0.903 . . . . 0.0 113.616 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.495 ' N ' ' HE1' ' A' ' 43' ' ' HIS . 0.2 OUTLIER 26.81 82.27 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.898 0.349 . . . . 0.0 111.604 -179.667 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.412 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 49.91 52.15 15.2 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.311 0.577 . . . . 0.0 110.114 -178.896 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.55 HG23 ' H ' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -70.99 151.45 44.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.263 -0.881 . . . . 0.0 111.266 -179.558 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.538 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.0 OUTLIER -50.56 -51.2 50.27 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 120.891 0.377 . . . . 0.0 110.145 179.3 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.0 tt -48.71 -44.69 38.38 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.415 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.877 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -65.56 -44.59 86.3 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.267 -179.543 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.625 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 5.5 pt-20 -67.48 -23.21 65.46 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.106 0.479 . . . . 0.0 109.808 179.526 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.53 -41.28 24.48 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.298 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.69 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -50.57 -49.37 56.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.579 178.863 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.42 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 4.7 m -66.94 -44.47 80.56 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.067 -0.969 . . . . 0.0 111.507 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.556 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -61.08 -72.06 0.13 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.879 -179.057 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.6 p -48.5 -38.43 20.15 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.69 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -77.76 -33.84 52.6 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.304 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.543 ' CE2' ' HB3' ' A' ' 27' ' ' LEU . 3.5 m-85 -140.86 110.24 6.61 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.206 -178.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -79.44 47.03 2.38 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.614 2.209 . . . . 0.0 111.983 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.501 ' HB2' ' CB ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -81.94 -177.98 6.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.606 -179.5 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -105.56 -11.28 29.28 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.124 178.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.16 13.99 6.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.011 0.434 . . . . 0.0 110.67 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.514 ' SG ' ' HB2' ' A' ' 28' ' ' TYR . 34.8 t -99.87 65.1 1.29 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.959 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.6 t -111.78 -141.57 0.38 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.895 -179.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -98.53 129.46 45.09 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.09 0.471 . . . . 0.0 111.252 -179.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.514 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.4 OUTLIER -135.87 122.34 20.7 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.676 -179.808 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.447 ' HA ' ' HB3' ' A' ' 43' ' ' HIS . 19.2 t0 -121.34 150.98 40.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.289 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.538 ' O ' ' HB2' ' A' ' 39' ' ' LYS . 14.9 t -99.85 24.08 8.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.263 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.538 ' HB2' ' O ' ' A' ' 38' ' ' SER . 0.1 OUTLIER 74.87 40.69 0.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.735 -179.43 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.9 mmt -138.33 172.57 12.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.444 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 40.9 t-20 -64.67 -32.56 74.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.572 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.53 141.96 39.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.474 0.654 . . . . 0.0 111.296 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.628 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 4.6 p-80 -151.36 -171.49 3.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.967 -1.015 . . . . 0.0 108.994 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.526 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 69.4 p -154.37 -145.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.709 177.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.861 ' HB2' ' H ' ' A' ' 7' ' ' THR . 26.7 m -103.37 178.59 4.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.033 0.444 . . . . 0.0 111.782 -179.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -150.23 37.01 0.68 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.828 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.497 ' HB3' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -57.8 -23.49 52.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.283 179.491 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.794 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -131.13 135.12 47.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.543 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.4 t -52.11 94.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.875 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 24.4 p . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.879 -179.802 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.711 0.291 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.428 ' SG ' HG21 ' A' ' 7' ' ' THR . 1.1 p -46.34 134.62 8.76 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.276 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.7 ' H ' ' HB2' ' A' ' 45' ' ' CYS . 0.2 OUTLIER 56.16 170.14 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.333 0.587 . . . . 0.0 112.316 179.469 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.431 ' HD2' ' OH ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -117.97 28.43 8.41 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.315 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.58 18.04 2.78 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 114.62 -1.173 . . . . 0.0 111.296 -178.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 50.7 t80 59.93 95.81 0.03 OUTLIER 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.521 0.2 . . . . 0.0 110.713 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.47 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -164.85 53.28 0.12 Allowed 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 179.893 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.868 ' HE3' ' HG2' ' A' ' 23' ' ' LYS . 8.8 mptt -113.2 157.14 22.09 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 177.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.475 ' HB3' HG22 ' A' ' 42' ' ' THR . 0.1 OUTLIER -149.81 154.69 38.83 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -178.187 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.61 ' HA3' ' HG1' ' A' ' 17' ' ' THR . . . 102.57 47.21 1.42 Allowed Glycine 0 C--N 1.339 0.718 0 CA-C-N 115.15 -0.932 . . . . 0.0 113.5 179.218 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.514 ' N ' ' CE1' ' A' ' 43' ' ' HIS . 0.2 OUTLIER 31.6 83.81 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 122.449 0.3 . . . . 0.0 111.381 -179.79 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.484 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . 0.5 OUTLIER 47.92 49.67 16.67 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.619 0.723 . . . . 0.0 109.573 -178.446 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.61 ' HG1' ' HA3' ' A' ' 14' ' ' GLY . 0.6 OUTLIER -66.77 158.56 30.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.722 -1.126 . . . . 0.0 111.55 -179.184 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.512 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -55.63 -52.41 63.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.987 179.128 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.431 ' H ' HG21 ' A' ' 17' ' ' THR . 0.2 OUTLIER -54.81 -22.69 15.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.393 179.713 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.599 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -80.54 -46.47 15.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.354 179.642 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.583 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 4.9 pt-20 -69.36 -24.5 63.9 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.87 -34.14 45.17 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.481 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.868 ' HG2' ' HE3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -59.1 -49.66 77.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.557 178.909 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.598 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 3.7 m -69.81 -32.01 70.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.316 -0.856 . . . . 0.0 112.196 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.539 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -80.21 -67.14 0.79 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.862 0.363 . . . . 0.0 111.847 -179.097 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.457 ' OG1' HD11 ' A' ' 27' ' ' LEU . 32.7 p -51.65 -38.79 56.42 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.557 0.576 . . . . 0.0 112.557 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.623 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.5 mp -85.34 -35.48 21.4 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.693 -179.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.495 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -116.63 115.07 39.66 Favored Pre-proline 0 C--N 1.332 -0.191 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.052 -179.148 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -82.45 52.35 4.07 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.268 1.978 . . . . 0.0 111.044 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -92.82 -177.13 4.44 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.657 0.741 . . . . 0.0 112.649 -178.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.7 -24.89 1.31 Allowed Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.761 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.78 13.33 33.21 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.171 0.51 . . . . 0.0 109.78 178.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.598 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 12.8 t -104.75 155.29 19.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.376 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.514 ' HB ' ' O ' ' A' ' 33' ' ' CYS . 9.7 t 176.47 -150.99 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.024 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.416 ' HB2' ' CG ' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -98.15 130.81 44.9 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.105 0.479 . . . . 0.0 110.829 -179.601 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.548 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 67.2 m -135.96 122.51 20.83 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.267 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -132.14 157.71 43.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.304 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.42 -75.85 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.965 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -163.78 39.41 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.69 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.16 166.32 24.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.842 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -68.12 -10.59 55.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.915 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.475 HG22 ' HB3' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -120.39 140.99 50.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.434 0.635 . . . . 0.0 111.702 179.765 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.632 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.5 p-80 -151.36 -171.56 3.97 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.038 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.554 ' OG ' HG23 ' A' ' 7' ' ' THR . 80.6 p -154.68 -151.12 0.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.45 -0.5 . . . . 0.0 111.215 177.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.7 ' HB2' ' H ' ' A' ' 7' ' ' THR . 39.2 m -99.68 169.44 9.27 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.856 0.36 . . . . 0.0 111.404 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -150.34 41.84 0.81 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.626 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.551 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -59.23 -26.25 64.72 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 121.465 0.65 . . . . 0.0 109.772 178.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER -132.61 136.58 46.62 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.372 -179.816 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.8 86.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.815 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 48' ' ' LYS . 85.1 m . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.873 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.406 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.8 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 9.3 p -52.17 143.18 14.91 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.608 179.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.4 p 61.76 131.56 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 121.184 0.516 . . . . 0.0 111.586 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.898 ' HD2' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.66 34.04 2.35 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.726 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.99 6.2 2.57 Favored Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 114.515 -1.22 . . . . 0.0 110.879 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.6 t80 53.44 70.5 0.59 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.429 -0.385 . . . . 0.0 110.37 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.716 ' HG3' ' HZ2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -145.94 63.98 1.23 Allowed 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -179.202 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.808 ' HE3' ' HE3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -113.83 157.9 21.71 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 177.802 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.46 158.07 43.74 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 -178.127 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.49 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 97.96 57.95 1.0 Allowed Glycine 0 C--N 1.337 0.629 0 CA-C-N 115.206 -0.906 . . . . 0.0 113.297 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.49 ' C ' ' O ' ' A' ' 14' ' ' GLY . 1.2 mttt 19.48 83.94 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 122.991 0.516 . . . . 0.0 111.895 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.426 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 1.3 t 50.67 59.58 4.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.517 -178.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.522 ' HB ' ' HG2' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -80.32 150.15 30.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.497 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.498 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -52.9 -51.66 60.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.544 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.19 -27.96 6.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.013 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.522 ' HG2' ' HB ' ' A' ' 17' ' ' THR . 6.8 mm-40 -77.74 -49.17 14.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.514 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 3.9 pt-20 -64.53 -27.51 69.02 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.033 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.94 -36.01 42.36 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.516 178.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.808 ' HE3' ' HE3' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -50.88 -57.65 7.96 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.394 178.62 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.66 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 0.6 OUTLIER -67.75 -32.31 72.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.0 179.313 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.514 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -61.68 -73.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.327 -179.366 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.8 p -52.89 -31.86 41.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.948 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.898 HD22 ' HD2' ' A' ' 8' ' ' ARG . 0.2 OUTLIER -77.15 -34.44 56.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.761 0.315 . . . . 0.0 111.694 -179.475 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.55 ' CZ ' HD23 ' A' ' 27' ' ' LEU . 2.1 m-85 -143.13 104.93 5.16 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.669 -178.282 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.418 ' HD2' HH21 ' A' ' 30' ' ' ARG . 4.6 Cg_exo -74.59 76.41 3.23 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.719 2.28 . . . . 0.0 111.497 179.387 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.465 ' HB2' ' CB ' ' A' ' 33' ' ' CYS . 2.5 mmp_? -113.71 -170.02 1.62 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.496 0.665 . . . . 0.0 111.87 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.41 -18.52 8.03 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.56 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.441 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 0.6 OUTLIER -118.1 12.85 13.72 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.029 0.442 . . . . 0.0 110.142 179.257 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.66 ' SG ' ' HB2' ' A' ' 24' ' ' CYS . 32.1 t -99.4 68.39 1.61 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.683 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.0 t -115.26 -150.11 0.46 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.617 -179.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.6 t -98.19 144.51 27.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.021 0.438 . . . . 0.0 111.43 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.448 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -146.65 126.25 13.33 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.998 -179.872 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -131.53 156.86 44.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.468 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 t -99.71 -77.47 0.52 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.056 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.33 42.66 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.619 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 62.4 mtp -144.13 -172.91 3.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -80.27 -27.91 38.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.859 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.85 140.91 37.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.408 0.623 . . . . 0.0 111.564 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.612 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 7.4 p-80 -151.1 -168.99 3.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.107 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.607 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 80.3 p -153.48 -145.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 177.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.544 ' HB2' HH22 ' A' ' 8' ' ' ARG . 84.4 m -130.14 150.97 51.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.926 0.393 . . . . 0.0 111.534 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -113.49 56.57 0.69 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.046 -178.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.643 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 4.2 m -60.53 -26.15 66.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.296 0.57 . . . . 0.0 110.124 178.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.8 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 8.6 tmtt? -131.88 161.25 33.45 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.684 -179.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.27 66.28 1.72 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.667 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.896 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.584 0.23 . . . . 0.0 111.307 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.758 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 25.9 p -50.98 124.1 10.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.841 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.461 HG22 ' HG ' ' A' ' 44' ' ' SER . 1.0 OUTLIER 60.77 147.31 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.312 0.577 . . . . 0.0 111.928 179.827 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.7 ' HD2' ' OH ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -99.4 35.48 1.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 178.779 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.24 17.09 5.86 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.138 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.433 ' HD1' ' HG ' ' A' ' 44' ' ' SER . 63.7 t80 59.29 88.07 0.07 Allowed 'General case' 0 C--O 1.233 0.189 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.03 57.57 0.25 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.722 ' HG3' ' HE2' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -113.68 153.41 28.99 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 177.444 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.463 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -146.5 158.81 43.95 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -177.808 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.51 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 95.02 60.41 1.07 Allowed Glycine 0 C--N 1.338 0.643 0 CA-C-N 115.149 -0.932 . . . . 0.0 113.164 179.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.51 ' C ' ' O ' ' A' ' 14' ' ' GLY . 20.4 mttt 16.45 84.58 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.12 0.568 . . . . 0.0 111.853 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.469 ' H ' ' NE2' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 52.8 59.89 4.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.147 -178.668 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.463 ' HB ' ' O ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -82.22 160.23 23.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.26 -179.381 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.426 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.9 m -54.87 -58.87 5.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.608 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.77 -26.15 1.5 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.197 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.695 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -78.18 -53.57 7.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.64 179.903 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.524 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 2.9 pt-20 -60.96 -26.12 67.32 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 178.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.51 -46.49 47.56 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.444 178.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.722 ' HE2' ' HG3' ' A' ' 12' ' ' LYS . 0.7 OUTLIER -51.43 -39.34 57.15 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 178.784 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.579 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 19.9 m -63.7 -48.86 75.41 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.697 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.4 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -74.89 -69.08 0.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -179.111 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.0 p -45.88 -40.12 9.57 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.705 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 1.2 mm? -79.92 -39.06 31.15 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 120.791 0.329 . . . . 0.0 111.189 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.7 ' OH ' ' HD2' ' A' ' 8' ' ' ARG . 1.4 m-85 -131.31 122.4 19.03 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.591 -177.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -82.95 43.81 1.55 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.566 2.177 . . . . 0.0 111.491 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.732 ' HD3' ' H ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -77.62 160.78 28.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.163 -178.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.732 ' H ' ' HD3' ' A' ' 30' ' ' ARG . . . -104.56 -8.75 37.07 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 178.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.453 ' H ' ' HD3' ' A' ' 30' ' ' ARG . 7.8 mt-30 -125.27 18.64 8.28 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.943 0.402 . . . . 0.0 110.6 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.579 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 36.5 t -99.48 149.8 22.85 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.954 179.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.435 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 5.4 t -177.88 -159.7 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.304 -179.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.38 127.41 42.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.157 0.504 . . . . 0.0 111.379 -179.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.0 t -127.64 129.62 47.53 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.744 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.434 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 32.0 t70 -139.15 156.21 47.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.594 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 p -99.96 -73.33 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -169.09 44.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.727 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 70.6 mmm -139.78 -167.77 2.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.834 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -88.47 -28.05 21.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.33 142.24 33.87 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.381 0.61 . . . . 0.0 111.469 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.631 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 2.2 p-80 -151.27 -174.64 4.88 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.092 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.543 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 88.3 p -153.34 -158.79 0.91 Allowed 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.836 177.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 81.2 m -99.42 176.21 5.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.721 0.296 . . . . 0.0 111.075 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -150.51 48.85 0.88 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.526 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.546 ' HB3' ' HG3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -63.6 -22.9 67.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.298 0.57 . . . . 0.0 110.035 179.103 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.758 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.4 OUTLIER -136.0 126.89 27.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -43.93 94.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.7 p . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.837 -179.631 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.758 0.313 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.564 ' HB2' ' HA ' ' A' ' 46' ' ' ASP . 1.0 OUTLIER -58.19 135.36 57.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.584 179.736 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.465 HG23 ' HB2' ' A' ' 44' ' ' SER . 0.9 OUTLIER 59.29 149.13 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 121.29 0.567 . . . . 0.0 112.138 179.87 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.683 ' HD2' ' OH ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -99.26 36.74 1.67 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.748 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.33 17.62 7.58 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 114.6 -1.182 . . . . 0.0 110.475 -178.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.472 ' HD1' ' HB3' ' A' ' 44' ' ' SER . 10.0 t80 59.73 95.27 0.03 OUTLIER 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 115.517 -0.341 . . . . 0.0 110.253 -179.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.439 ' HD2' ' HZ1' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -165.9 53.96 0.1 Allowed 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -179.737 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.651 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 1.1 mptt -110.55 156.02 21.5 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 177.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.432 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -148.81 155.62 41.18 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 -177.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.501 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 99.26 56.42 0.99 Allowed Glycine 0 C--N 1.337 0.609 0 CA-C-N 115.15 -0.932 . . . . 0.0 113.141 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' A' ' 14' ' ' GLY . 3.8 mttt 19.52 84.56 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.042 0.537 . . . . 0.0 111.701 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.453 ' H ' ' NE2' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 52.25 58.83 5.01 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.484 0.659 . . . . 0.0 109.758 -178.525 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.631 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -79.24 160.51 26.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.321 -179.072 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.564 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.3 m -56.76 -58.13 9.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.213 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.17 -25.51 2.26 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.963 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.631 ' H ' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -76.99 -53.29 8.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.541 179.801 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.564 ' HG2' ' O ' ' A' ' 18' ' ' THR . 7.0 pt-20 -59.6 -29.18 67.8 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 178.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -47.77 57.05 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.481 178.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.713 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 3.2 ttpt -51.24 -36.85 43.87 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.361 0.6 . . . . 0.0 109.467 178.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.493 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 37.1 m -65.3 -47.34 76.93 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.888 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.22 -65.82 0.9 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -179.135 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.8 p -47.77 -41.2 22.74 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.713 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 1.2 mm? -79.66 -40.34 29.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.825 0.345 . . . . 0.0 111.477 -179.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.683 ' OH ' ' HD2' ' A' ' 8' ' ' ARG . 1.6 m-85 -126.85 123.58 23.75 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.746 -176.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -86.67 48.62 1.91 Allowed 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 122.686 2.258 . . . . 0.0 111.472 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.672 ' HD3' ' H ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -87.9 159.71 18.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.106 -178.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.672 ' H ' ' HD3' ' A' ' 30' ' ' ARG . . . -99.64 -15.52 31.57 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 178.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.655 ' HG2' HH11 ' A' ' 30' ' ' ARG . 11.3 mm-40 -117.0 21.24 13.39 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.354 -0.423 . . . . 0.0 110.338 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.592 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 34.6 t -99.44 147.83 24.86 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.197 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.438 ' HB ' ' O ' ' A' ' 33' ' ' CYS . 4.4 t -178.61 -161.2 0.05 OUTLIER 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.037 -179.348 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.407 ' HB2' ' HG3' ' A' ' 20' ' ' GLU . 0.4 OUTLIER -96.22 131.59 42.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.314 0.578 . . . . 0.0 111.382 -179.195 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.2 t -134.12 134.07 41.81 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.611 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.428 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 31.1 t0 -142.58 159.69 41.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.666 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.63 -73.66 0.64 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.777 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -168.75 54.67 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.78 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.26 -170.29 3.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -87.0 -23.3 25.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.29 141.5 37.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.319 0.581 . . . . 0.0 111.635 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.651 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 2.6 p-80 -151.14 -174.26 4.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.069 -0.968 . . . . 0.0 109.264 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.51 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 69.6 p -153.9 -160.88 1.15 Allowed 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.696 177.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 61.8 m -99.41 175.27 5.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.755 0.312 . . . . 0.0 111.211 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.564 ' HA ' ' HB2' ' A' ' 6' ' ' CYS . 3.5 t70 -150.54 49.55 0.88 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.402 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.592 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -62.0 -24.15 66.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.262 0.553 . . . . 0.0 110.105 179.203 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.434 ' O ' ' N ' ' A' ' 50' ' ' CYS . 0.2 OUTLIER -126.96 144.95 50.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.534 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.08 84.97 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.749 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.434 ' N ' ' O ' ' A' ' 48' ' ' LYS . 60.9 m . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.811 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.681 0.277 . . . . 0.0 111.338 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.45 ' HB2' ' HA ' ' A' ' 46' ' ' ASP . 1.1 p -53.12 136.98 34.8 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.742 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 59.78 147.72 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.283 0.563 . . . . 0.0 112.168 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.684 ' HD2' ' OH ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -99.53 34.5 2.2 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.697 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.01 17.54 5.82 Favored Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.067 -178.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 44.0 t80 58.43 85.71 0.09 Allowed 'General case' 0 C--O 1.232 0.162 0 N-CA-C 110.348 -0.241 . . . . 0.0 110.348 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.89 55.15 0.42 Allowed 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -179.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.723 ' HG3' ' HE2' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -111.93 152.71 27.72 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 177.499 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.425 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.3 OUTLIER -148.81 154.54 39.67 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -177.757 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.492 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 104.69 46.14 1.33 Allowed Glycine 0 C--N 1.338 0.69 0 CA-C-N 115.167 -0.924 . . . . 0.0 113.345 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.474 ' N ' ' HE1' ' A' ' 43' ' ' HIS . 1.5 mtpt 29.35 82.41 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 122.622 0.369 . . . . 0.0 111.301 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.404 ' H ' ' NE2' ' A' ' 43' ' ' HIS . 0.4 OUTLIER 53.31 50.89 16.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.438 0.637 . . . . 0.0 109.795 -178.44 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.504 HG22 ' N ' ' A' ' 18' ' ' THR . 0.7 OUTLIER -72.55 155.1 40.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.938 -179.638 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.504 ' N ' HG22 ' A' ' 17' ' ' THR . 1.8 m -53.37 -54.08 41.85 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.236 179.408 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -50.5 -25.67 4.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.822 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.674 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -79.11 -50.58 10.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.485 179.713 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.621 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 4.2 pt-20 -62.76 -25.35 68.16 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.11 -44.88 44.67 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.451 178.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.723 ' HE2' ' HG3' ' A' ' 12' ' ' LYS . 0.6 OUTLIER -55.06 -36.17 65.3 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-O 121.389 0.614 . . . . 0.0 109.479 178.683 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.488 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 32.0 m -71.98 -38.05 69.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.056 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.516 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -78.39 -64.0 1.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.879 0.325 . . . . 0.0 111.879 -179.557 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.3 p -55.51 -37.61 68.1 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.711 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 1.0 OUTLIER -79.86 -39.54 30.37 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 120.792 0.329 . . . . 0.0 111.348 -179.339 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.684 ' OH ' ' HD2' ' A' ' 8' ' ' ARG . 1.7 m-85 -127.67 118.77 21.32 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.683 -176.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -85.53 50.97 2.81 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.611 2.207 . . . . 0.0 111.706 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.596 ' HD3' ' H ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -93.96 162.59 13.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.271 0.558 . . . . 0.0 112.132 -178.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -97.75 -19.54 24.37 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 178.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.596 ' H ' ' HD3' ' A' ' 30' ' ' ARG . 4.0 mt-30 -110.87 17.17 20.81 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 121.005 0.431 . . . . 0.0 110.247 179.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.522 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 43.8 t -99.32 143.84 29.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.902 179.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.451 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 5.5 t -177.05 -156.55 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.202 -179.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -95.92 125.3 40.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.19 0.519 . . . . 0.0 111.532 -179.077 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.2 t -123.62 124.89 43.8 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.874 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -133.24 148.92 52.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.322 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.87 -71.54 0.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -168.25 46.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.739 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.4 mtt -150.18 164.12 36.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.045 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -60.93 -28.78 69.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.048 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.15 142.53 31.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.454 0.645 . . . . 0.0 111.563 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.634 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 2.6 p-80 -151.1 -172.85 4.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.015 -0.993 . . . . 0.0 108.972 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.552 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 79.7 p -153.84 -156.93 0.73 Allowed 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.971 177.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 75.7 m -99.47 171.85 7.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.862 0.363 . . . . 0.0 111.325 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.45 ' HA ' ' HB2' ' A' ' 6' ' ' CYS . 12.1 t70 -150.21 50.21 0.9 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.445 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.522 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -71.25 -21.18 62.14 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.388 0.613 . . . . 0.0 109.847 179.122 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 50' ' ' CYS . 0.5 OUTLIER -126.43 137.12 53.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.351 -179.765 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.32 86.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.672 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 48' ' ' LYS . 62.3 m . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.831 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.213 0 N-CA-C 111.27 0.1 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.785 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 15.9 p -39.9 120.75 1.19 Allowed 'General case' 0 N--CA 1.463 0.204 0 O-C-N 123.037 0.21 . . . . 0.0 111.13 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.66 ' HA ' ' HZ3' ' A' ' 12' ' ' LYS . 1.5 p 62.35 134.33 0.01 OUTLIER 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.274 0.559 . . . . 0.0 111.867 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.642 ' H ' ' HZ3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -99.18 37.18 1.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.895 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.69 11.04 11.84 Favored Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.752 -178.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.413 ' HA ' ' CB ' ' A' ' 44' ' ' SER . 0.6 OUTLIER 59.62 78.71 0.26 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.45 -0.375 . . . . 0.0 110.462 -179.634 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.51 55.61 0.91 Allowed 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -179.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.724 ' HE3' ' HG2' ' A' ' 23' ' ' LYS . 4.7 mptt -110.96 159.94 17.26 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 178.199 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.439 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.1 OUTLIER -150.31 153.05 35.43 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 -178.367 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.479 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 101.82 48.23 1.4 Allowed Glycine 0 C--N 1.34 0.757 0 CA-C-N 115.324 -0.853 . . . . 0.0 113.735 178.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.5 ' N ' ' CE1' ' A' ' 43' ' ' HIS . 3.7 mttp 28.21 83.92 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 122.521 0.328 . . . . 0.0 111.539 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.427 ' H ' ' NE2' ' A' ' 43' ' ' HIS . 0.6 OUTLIER 50.75 50.55 18.75 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.498 0.666 . . . . 0.0 109.596 -178.577 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.464 HG23 ' H ' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -69.87 159.21 34.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.369 -179.239 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.603 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -55.17 -54.94 36.86 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.012 179.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.74 -23.26 4.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.529 179.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.52 ' HG3' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -78.68 -51.58 9.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.351 179.668 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.603 ' HG2' ' O ' ' A' ' 18' ' ' THR . 6.1 pt-20 -64.16 -24.9 67.85 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.44 -37.29 37.38 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.004 179.214 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.724 ' HG2' ' HE3' ' A' ' 12' ' ' LYS . 1.4 tptt -54.49 -46.22 73.39 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.479 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 2.0 m -68.36 -41.97 79.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.221 -0.9 . . . . 0.0 112.155 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.5 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -73.39 -69.41 0.43 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.734 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.557 ' OG1' HD13 ' A' ' 27' ' ' LEU . 57.0 p -50.3 -42.79 53.13 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.881 0.696 . . . . 0.0 112.881 -178.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.647 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 6.2 mp -85.33 -40.54 16.42 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -178.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.515 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -108.4 126.2 30.14 Favored Pre-proline 0 CA--C 1.532 0.259 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.862 -179.076 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -92.61 38.68 0.24 Allowed 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 122.823 2.349 . . . . 0.0 113.33 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.675 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -80.77 138.21 36.27 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.866 0.365 . . . . 0.0 111.594 -179.914 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.86 -11.84 83.36 Favored Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 110.529 -1.029 . . . . 0.0 110.529 178.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.405 ' H ' ' HD2' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -125.87 37.42 4.35 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.033 -0.583 . . . . 0.0 110.217 179.579 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.628 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 2.0 t -98.64 153.01 19.0 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.706 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.432 ' HB ' ' O ' ' A' ' 33' ' ' CYS . 1.3 t -178.3 -167.36 0.13 Allowed 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 120.577 -0.449 . . . . 0.0 112.025 -179.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.419 ' N ' HG21 ' A' ' 34' ' ' THR . 0.1 OUTLIER -97.49 147.0 24.69 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.993 0.425 . . . . 0.0 111.179 -179.42 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.455 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 10.7 t -144.59 129.35 18.26 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.043 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.451 ' OD2' ' HB3' ' A' ' 43' ' ' HIS . 14.0 t70 -137.58 161.16 37.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.655 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.9 -79.47 0.58 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.974 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.63 43.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.638 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 17.7 mtp -146.01 168.08 21.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.941 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -65.58 -26.13 67.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.001 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.77 142.39 34.44 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.326 0.584 . . . . 0.0 111.689 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.573 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 2.7 p-80 -151.29 -168.01 2.97 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.032 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.628 ' HB2' ' HZ1' ' A' ' 12' ' ' LYS . 83.4 p -152.99 -154.48 0.53 Allowed 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.709 177.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.44 ' HB2' ' H ' ' A' ' 7' ' ' THR . 97.6 m -99.6 177.96 5.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.32 0.581 . . . . 0.0 112.354 -178.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -145.95 39.31 1.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.988 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.675 ' SG ' ' HB2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -48.25 -28.02 2.82 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.815 179.433 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.785 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -150.11 145.96 26.63 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.889 -179.21 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.45 ' N ' ' HD3' ' A' ' 48' ' ' LYS . 0.2 OUTLIER -63.26 85.92 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.879 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.6 p . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.909 -179.794 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.269 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.759 ' HB2' ' HA ' ' A' ' 46' ' ' ASP . 0.5 OUTLIER 63.74 137.97 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.268 179.884 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.555 ' OG1' ' HB2' ' A' ' 44' ' ' SER . 13.7 t 40.31 -162.87 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.528 ' NE ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -139.45 43.65 2.0 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.231 0.538 . . . . 0.0 109.55 -179.808 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.16 16.22 10.73 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.432 -178.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.509 ' HA ' ' CB ' ' A' ' 44' ' ' SER . 1.0 OUTLIER 57.65 76.19 0.34 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.771 -0.214 . . . . 0.0 110.44 -179.619 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.472 ' HG3' ' HE3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -144.25 52.89 1.27 Allowed 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -179.449 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.767 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -115.12 155.41 27.15 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 178.085 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.533 ' HB3' HG22 ' A' ' 42' ' ' THR . 0.2 OUTLIER -150.01 159.45 44.38 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -177.628 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.485 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 104.01 44.09 1.68 Allowed Glycine 0 C--N 1.338 0.642 0 CA-C-N 115.087 -0.961 . . . . 0.0 113.447 179.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.48 ' N ' ' CE1' ' A' ' 43' ' ' HIS . 0.2 OUTLIER 28.71 83.78 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 122.525 0.33 . . . . 0.0 111.301 -179.764 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.402 ' H ' ' NE2' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 52.57 51.47 16.03 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.39 0.614 . . . . 0.0 109.803 -178.494 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.643 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -72.63 153.98 40.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.222 -179.379 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.594 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -54.69 -55.08 33.61 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.043 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.53 -27.8 7.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.624 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.643 ' H ' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -74.32 -51.83 14.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.52 179.679 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.594 ' HG2' ' O ' ' A' ' 18' ' ' THR . 7.8 pt-20 -61.31 -33.81 74.2 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.37 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.25 -36.5 69.08 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.887 178.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.616 ' HE3' ' HE2' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -55.04 -47.05 75.29 Favored 'General case' 0 C--O 1.223 -0.334 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.795 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.565 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 3.2 m -65.53 -34.92 79.38 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.514 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.509 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -72.03 -69.84 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.604 -179.514 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.2 p -51.98 -33.63 38.83 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.559 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -81.84 -43.56 18.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.76 0.314 . . . . 0.0 111.244 -179.717 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.629 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 2.3 m-85 -134.58 101.22 12.03 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.228 -177.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -72.83 73.64 2.97 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.837 2.358 . . . . 0.0 111.236 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.448 ' HB2' ' CB ' ' A' ' 33' ' ' CYS . 15.3 mmm180 -118.71 179.77 4.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.338 0.59 . . . . 0.0 111.774 -178.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -105.16 -16.36 16.79 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.066 178.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.97 10.23 15.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.186 0.517 . . . . 0.0 110.305 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.629 ' SG ' ' HB2' ' A' ' 28' ' ' TYR . 45.9 t -100.44 98.32 8.96 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.789 179.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.446 HG21 ' N ' ' A' ' 35' ' ' CYS . 11.6 t -144.37 -146.69 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.284 -179.013 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.446 ' N ' HG21 ' A' ' 34' ' ' THR . 0.0 OUTLIER -96.86 130.51 44.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.167 0.508 . . . . 0.0 111.457 -179.101 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.2 t -133.27 125.65 29.75 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.488 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.422 ' HB2' ' HB3' ' A' ' 43' ' ' HIS . 28.8 t70 -143.02 156.19 44.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.737 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.3 -63.05 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.746 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.03 41.75 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.598 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.5 mtp -138.48 165.26 27.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.986 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -64.18 -29.42 70.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.132 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.533 HG22 ' HB3' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -100.02 141.81 32.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.555 0.693 . . . . 0.0 111.559 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.66 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.5 p-80 -151.13 -176.33 5.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.767 -1.106 . . . . 0.0 108.57 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.6 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 91.3 p -153.9 -163.44 1.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.049 -0.66 . . . . 0.0 111.961 177.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.545 ' HB2' ' HA ' ' A' ' 7' ' ' THR . 55.0 m -99.77 135.52 41.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.028 -179.521 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.759 ' HA ' ' HB2' ' A' ' 6' ' ' CYS . 15.9 t0 -117.33 51.71 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.821 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.522 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.4 OUTLIER -59.75 -24.57 64.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.351 179.404 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -140.58 135.65 32.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.676 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.19 98.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.135 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.0 p . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.314 -0.851 . . . . 0.0 110.948 -179.715 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.554 0.216 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.485 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 19.6 p -45.64 111.65 0.37 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.19 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.629 ' HG1' ' H ' ' A' ' 9' ' ' GLY . 0.7 OUTLIER 57.98 157.5 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.394 0.616 . . . . 0.0 112.409 179.488 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.474 ' H ' ' HZ3' ' A' ' 12' ' ' LYS . 13.1 mtp85 -101.37 31.22 3.81 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.629 ' H ' ' HG1' ' A' ' 7' ' ' THR . . . 116.24 17.66 6.13 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.194 -178.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.617 ' H ' ' HG1' ' A' ' 7' ' ' THR . 0.6 OUTLIER 63.7 86.01 0.13 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.738 -0.231 . . . . 0.0 110.404 -179.653 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.595 ' HD2' ' HE3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -154.06 51.19 0.66 Allowed 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -179.549 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.634 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 0.1 OUTLIER -112.1 156.03 22.9 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 178.142 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.43 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -148.33 155.48 41.34 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -178.111 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.641 ' HA3' ' HG1' ' A' ' 17' ' ' THR . . . 97.31 60.9 0.94 Allowed Glycine 0 C--N 1.338 0.681 0 CA-C-N 115.289 -0.869 . . . . 0.0 112.942 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.521 ' C ' ' O ' ' A' ' 14' ' ' GLY . 0.6 OUTLIER 13.35 87.9 0.01 OUTLIER 'General case' 0 C--N 1.346 0.45 0 C-N-CA 123.171 0.588 . . . . 0.0 112.056 -179.556 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.412 ' H ' ' NE2' ' A' ' 43' ' ' HIS . 3.3 t 52.35 62.11 2.86 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.354 0.597 . . . . 0.0 109.459 -178.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.641 ' HG1' ' HA3' ' A' ' 14' ' ' GLY . 0.8 OUTLIER -82.01 156.12 24.81 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.055 -179.004 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.465 ' N ' HG21 ' A' ' 17' ' ' THR . 2.7 m -53.61 -70.08 0.1 Allowed 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.425 ' N ' HG23 ' A' ' 18' ' ' THR . 0.2 OUTLIER -43.42 -24.24 0.09 Allowed 'General case' 0 CA--C 1.522 -0.122 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.63 179.889 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.56 ' HG3' ' CD2' ' A' ' 43' ' ' HIS . 2.1 tm-20 -76.16 -63.73 1.26 Allowed 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 120.936 0.398 . . . . 0.0 110.147 179.271 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -53.65 -28.61 34.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.242 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.42 -39.8 45.68 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.127 179.098 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.608 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -52.16 -45.2 64.98 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.802 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.508 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 3.2 m -70.09 -37.06 75.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.91 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.539 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -75.01 -68.37 0.56 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -179.201 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.8 p -50.65 -42.09 56.1 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.608 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.9 mp -85.41 -40.3 16.6 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -178.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.509 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -111.65 96.62 33.39 Favored Pre-proline 0 CA--C 1.53 0.192 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.925 -178.829 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -74.83 72.87 4.4 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.289 1.993 . . . . 0.0 111.749 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.589 ' HD2' ' H ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -115.91 -177.53 3.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.299 0.571 . . . . 0.0 112.182 -179.058 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.589 ' H ' ' HD2' ' A' ' 30' ' ' ARG . . . -112.38 -33.14 2.17 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.166 178.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.507 ' HG3' ' NH2' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -98.63 12.85 34.06 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.208 0.527 . . . . 0.0 110.056 179.084 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.555 ' O ' ' HB ' ' A' ' 34' ' ' THR . 20.0 t -101.17 147.06 26.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.308 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.555 ' HB ' ' O ' ' A' ' 33' ' ' CYS . 14.7 t 173.63 -140.43 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 O-C-N 123.287 0.367 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.524 ' HB2' ' OE1' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -96.9 133.53 41.41 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.081 0.467 . . . . 0.0 111.294 -179.426 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.446 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.1 OUTLIER -141.81 118.94 11.33 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.802 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.441 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 26.7 t70 -129.18 156.39 44.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.808 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.8 m -99.85 -76.62 0.54 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.857 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -168.76 38.82 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.706 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 28.7 mtm -139.61 -172.86 3.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.797 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -80.38 -28.04 38.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.17 140.55 37.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.441 0.639 . . . . 0.0 111.515 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.634 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 5.4 p-80 -150.99 -172.14 4.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.968 -1.015 . . . . 0.0 108.979 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.577 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 78.8 p -154.27 -143.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 121.101 -0.24 . . . . 0.0 110.402 177.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.617 ' H ' HG22 ' A' ' 7' ' ' THR . 3.3 m -111.2 178.65 4.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.836 0.351 . . . . 0.0 111.395 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -150.53 40.02 0.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.053 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.509 ' HB3' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -56.52 -26.35 54.39 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.365 0.602 . . . . 0.0 110.042 179.303 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.594 ' HB3' ' SG ' ' A' ' 50' ' ' CYS . 8.6 tttm -130.5 150.87 51.52 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.749 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.31 77.33 0.16 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.556 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.594 ' SG ' ' HB3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.792 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 ptt180 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.773 0.32 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.559 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 2.7 p -46.5 137.81 6.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.314 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.787 ' H ' ' HB2' ' A' ' 45' ' ' CYS . 0.4 OUTLIER 59.7 149.87 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.101 0 CA-C-O 121.415 0.626 . . . . 0.0 112.551 179.153 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.554 ' HD2' ' HH ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -99.71 35.19 2.05 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.518 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.55 15.32 8.89 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 114.825 -1.079 . . . . 0.0 110.667 -178.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.426 ' HA ' ' CB ' ' A' ' 44' ' ' SER . 0.8 OUTLIER 60.09 82.06 0.16 Allowed 'General case' 0 C--O 1.231 0.121 0 CA-C-N 115.309 -0.446 . . . . 0.0 110.566 -179.622 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.67 49.87 0.87 Allowed 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -179.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.661 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 0.5 OUTLIER -109.02 155.12 21.28 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 177.907 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.15 155.77 42.42 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 -177.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.503 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 97.92 58.94 0.96 Allowed Glycine 0 C--N 1.339 0.703 0 CA-C-N 115.228 -0.896 . . . . 0.0 113.108 179.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.503 ' C ' ' O ' ' A' ' 14' ' ' GLY . 90.4 mttt 16.98 83.7 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 122.995 0.518 . . . . 0.0 111.999 -179.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.428 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.4 OUTLIER 53.32 59.96 4.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.592 -178.637 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.511 ' HB ' ' HG2' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -82.97 154.47 24.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.733 -179.794 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.547 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.3 m -52.55 -55.53 21.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.76 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.39 -23.77 2.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.434 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.54 ' HB3' ' HB3' ' A' ' 12' ' ' LYS . 5.1 mm-40 -82.22 -49.16 10.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.595 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 18' ' ' THR . 12.3 pt-20 -63.48 -25.74 68.4 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 178.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.34 -43.65 40.05 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.693 178.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.554 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -50.9 -43.54 59.83 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 121.217 0.532 . . . . 0.0 109.692 178.894 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.577 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 17.8 m -64.71 -50.12 68.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.912 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.435 ' HE3' ' O ' ' A' ' 33' ' ' CYS . 0.8 OUTLIER -69.69 -68.41 0.41 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.258 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.6 p -45.87 -35.12 4.28 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.674 HD23 ' N ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -85.1 -44.93 12.55 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.89 0.376 . . . . 0.0 110.41 -179.918 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.554 ' HH ' ' HD2' ' A' ' 8' ' ' ARG . 0.2 OUTLIER -116.58 122.57 31.6 Favored Pre-proline 0 N--CA 1.462 0.15 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.402 -177.875 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -80.78 37.11 0.66 Allowed 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.326 2.017 . . . . 0.0 111.202 178.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.443 ' HG2' ' HB3' ' A' ' 47' ' ' CYS . 4.5 mpt_? -68.48 170.09 9.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.363 -178.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -117.23 -14.07 7.28 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.045 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -122.0 17.57 10.89 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 120.938 0.399 . . . . 0.0 110.437 179.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.577 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 17.0 t -99.69 153.77 18.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.269 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.455 ' HB ' ' O ' ' A' ' 33' ' ' CYS . 6.9 t 179.69 -152.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.077 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -97.75 135.48 39.46 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.105 0.478 . . . . 0.0 111.362 -179.415 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.447 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 64.0 p -137.54 122.97 19.56 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.592 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -129.52 151.84 49.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.703 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.12 -81.66 0.46 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.848 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -159.91 48.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.742 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.5 mtp -147.55 -179.56 6.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.839 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -82.51 -4.4 57.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.583 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.81 141.78 51.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.399 0.618 . . . . 0.0 111.467 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.661 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.0 p-80 -150.83 -172.95 4.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.983 -1.008 . . . . 0.0 108.897 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.605 ' HG ' HG21 ' A' ' 7' ' ' THR . 65.8 p -154.28 -143.3 0.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.726 177.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.787 ' HB2' ' H ' ' A' ' 7' ' ' THR . 58.6 m -105.12 173.44 6.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.906 0.384 . . . . 0.0 111.68 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -150.92 46.76 0.85 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.216 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.559 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -65.96 -21.95 66.45 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.305 0.574 . . . . 0.0 110.08 179.424 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.559 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 1.8 tmtt? -135.76 125.0 24.6 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.134 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.8 t -38.75 93.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.407 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.422 ' N ' ' O ' ' A' ' 48' ' ' LYS . 26.2 p . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.923 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.864 0.364 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.648 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 1.7 p -50.57 123.72 9.38 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.232 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.515 ' HG1' ' H ' ' A' ' 9' ' ' GLY . 0.6 OUTLIER 62.31 143.29 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.102 0 CA-C-O 121.35 0.595 . . . . 0.0 111.977 179.637 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.864 ' HD2' HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.96 32.3 2.97 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 178.579 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.515 ' H ' ' HG1' ' A' ' 7' ' ' THR . . . 132.98 6.17 2.89 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 114.572 -1.195 . . . . 0.0 110.925 -178.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.441 ' H ' ' HG1' ' A' ' 7' ' ' THR . 1.3 t80 56.09 88.28 0.05 OUTLIER 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.482 -0.359 . . . . 0.0 110.838 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.496 ' HG3' ' HZ1' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -163.12 57.98 0.19 Allowed 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -179.893 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.746 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -111.73 158.24 19.56 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 178.293 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.469 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -150.44 158.85 44.61 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -177.74 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.479 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 98.84 52.34 1.29 Allowed Glycine 0 C--N 1.34 0.778 0 CA-C-N 115.214 -0.903 . . . . 0.0 113.589 178.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 14' ' ' GLY . 1.6 mtmm 22.05 84.67 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 122.741 0.416 . . . . 0.0 111.678 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.9 t 53.63 55.78 8.11 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.257 0.551 . . . . 0.0 109.812 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.469 ' HB ' ' O ' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -75.99 155.33 35.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.195 -179.283 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.446 ' N ' HG21 ' A' ' 17' ' ' THR . 1.1 m -55.26 -55.71 28.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.006 179.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.423 ' N ' HG23 ' A' ' 18' ' ' THR . 0.2 OUTLIER -51.91 -23.48 5.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.863 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.538 ' HG3' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -74.89 -52.37 11.45 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.305 179.657 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.614 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 3.0 pt-20 -63.3 -34.83 78.53 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.512 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -71.21 -32.84 69.31 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.915 179.036 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.658 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -55.07 -64.93 0.68 Allowed 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.802 179.378 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.51 ' SG ' ' HB3' ' A' ' 33' ' ' CYS . 0.8 OUTLIER -68.56 -16.89 64.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.417 179.694 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.614 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -70.69 -72.73 0.19 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.814 0.34 . . . . 0.0 110.958 -179.536 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.5 p -57.49 -27.81 62.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.237 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.864 HD23 ' HD2' ' A' ' 8' ' ' ARG . 0.1 OUTLIER -81.0 -33.95 33.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.403 -179.78 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.584 ' CE2' ' HB3' ' A' ' 27' ' ' LEU . 4.7 m-85 -141.11 109.84 6.42 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.561 -178.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -83.48 51.43 3.54 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.809 2.339 . . . . 0.0 112.341 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.73 ' HD3' ' H ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -85.4 -157.66 0.33 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.402 -179.7 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.73 ' H ' ' HD3' ' A' ' 30' ' ' ARG . . . -125.08 -8.54 5.52 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 178.342 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -134.87 15.08 3.6 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.324 -0.438 . . . . 0.0 110.626 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.629 ' SG ' ' HB2' ' A' ' 30' ' ' ARG . 85.6 m -99.59 63.97 1.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.71 179.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.408 HG22 ' H ' ' A' ' 35' ' ' CYS . 8.9 t -115.15 -130.46 0.31 Allowed 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.662 -178.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.428 ' HA ' ' OE2' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -98.83 146.23 26.15 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.967 0.413 . . . . 0.0 111.471 -179.298 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.484 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 10.6 t -149.85 106.82 3.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.344 179.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.519 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 29.9 t0 -115.19 162.71 16.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.554 -179.294 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.6 t -130.09 16.35 5.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.557 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 85.1 mttt 68.12 66.07 0.35 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.216 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.48 ' O ' ' HB3' ' A' ' 41' ' ' ASN . 8.4 mtp -150.5 17.22 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.78 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.48 ' HB3' ' O ' ' A' ' 40' ' ' MET . 40.3 t30 77.2 -41.15 0.37 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.572 -179.147 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.401 ' H ' ' HG1' ' A' ' 42' ' ' THR . 0.3 OUTLIER -105.72 140.21 39.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.146 0.498 . . . . 0.0 110.449 178.789 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.598 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 6.7 p-80 -150.75 -171.14 3.85 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.603 -179.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.568 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 74.5 p -153.26 -149.15 0.28 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.238 177.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.554 ' HB3' HH22 ' A' ' 8' ' ' ARG . 0.0 OUTLIER -119.56 147.54 44.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.129 0.49 . . . . 0.0 112.032 -179.218 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -101.57 49.95 0.86 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.139 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.537 ' CB ' ' HA ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -49.45 -29.73 6.99 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.355 179.529 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.648 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 7.3 tttm -144.35 141.45 29.73 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.377 -1.283 . . . . 0.0 110.525 -179.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.7 t -56.21 93.54 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.736 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 27.0 p . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.908 -179.737 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.733 0.301 . . . . 0.0 111.143 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.632 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 1.6 p -48.25 122.79 5.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 179.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.52 HG21 ' OG ' ' A' ' 44' ' ' SER . 0.6 OUTLIER 59.54 147.21 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 121.124 0.488 . . . . 0.0 112.005 179.696 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.437 ' HD3' ' OH ' ' A' ' 28' ' ' TYR . 2.6 mtp-105 -99.46 29.71 3.89 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 178.241 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 130.74 14.83 1.83 Allowed Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 114.411 -1.268 . . . . 0.0 111.144 -178.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.3 t80 57.83 86.46 0.08 Allowed 'General case' 0 C--O 1.231 0.124 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.22 55.87 0.77 Allowed 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 -179.219 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.724 ' HG3' ' HE2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -111.96 150.97 29.79 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 177.674 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.7 154.76 41.8 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -177.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.483 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 104.89 45.65 1.36 Allowed Glycine 0 C--N 1.337 0.598 0 CA-C-N 115.171 -0.922 . . . . 0.0 113.28 179.162 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.479 ' N ' ' HE1' ' A' ' 43' ' ' HIS . 0.9 OUTLIER 31.51 82.17 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.72 0.295 . . . . 0.0 111.236 -179.882 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.468 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 49.71 53.82 12.1 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.353 0.597 . . . . 0.0 109.994 -178.591 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.525 ' H ' ' HE2' ' A' ' 43' ' ' HIS . 0.8 OUTLIER -74.18 155.7 38.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.101 -179.523 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.449 HG23 ' N ' ' A' ' 19' ' ' LEU . 1.2 m -50.65 -59.94 3.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.544 179.466 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.449 ' N ' HG23 ' A' ' 18' ' ' THR . 0.2 OUTLIER -46.07 -37.97 7.4 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.227 -179.858 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.534 ' HG3' ' NE2' ' A' ' 43' ' ' HIS . 5.8 mm-40 -65.79 -53.06 45.35 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.98 -179.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 22' ' ' GLU . 8.8 pt-20 -59.76 -34.17 72.63 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 178.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.422 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -65.73 -41.8 91.79 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.34 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.724 ' HE2' ' HG3' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -53.49 -50.18 65.9 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 178.493 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 28' ' ' TYR . 2.9 m -52.53 -38.77 60.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.034 179.116 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.414 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -77.86 -77.01 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.128 -179.343 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.7 p -45.92 -35.89 5.0 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.713 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 2.8 mm? -80.69 -42.01 22.72 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 111.387 -179.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.467 ' HH ' ' HA ' ' A' ' 7' ' ' THR . 1.4 m-85 -129.22 110.82 18.09 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 -177.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -80.4 63.56 8.77 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.502 2.135 . . . . 0.0 111.962 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.516 ' HB2' ' CB ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -107.71 169.35 8.65 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.307 0.575 . . . . 0.0 112.09 -179.051 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -102.79 -16.03 22.89 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.88 178.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -115.27 14.52 16.88 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.007 0.432 . . . . 0.0 110.256 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.672 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 49.3 t -99.59 137.9 37.44 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.685 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.405 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 6.0 t -171.75 -155.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.232 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.3 t -96.51 117.35 30.73 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.241 0.543 . . . . 0.0 111.543 -178.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.0 p -115.45 131.52 56.9 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.449 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -147.03 158.14 43.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.75 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.6 m -106.79 -66.95 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.674 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -174.26 47.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.79 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.5 mmm -141.34 163.26 33.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -63.56 -20.62 65.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.84 143.04 40.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.475 0.655 . . . . 0.0 111.467 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.649 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.1 p-80 -150.92 -172.94 4.34 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.824 -1.08 . . . . 0.0 108.673 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.618 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 73.9 p -154.13 -154.65 0.53 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.862 177.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.485 ' O ' HG23 ' A' ' 7' ' ' THR . 45.0 m -121.68 118.66 29.69 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.876 0.369 . . . . 0.0 111.263 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -99.55 71.2 1.72 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.971 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.672 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 1.6 m -69.93 -23.28 63.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.58 0.705 . . . . 0.0 109.367 178.442 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.632 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -128.13 135.22 49.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.22 179.735 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.6 t -55.24 87.96 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.761 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.402 ' N ' ' O ' ' A' ' 48' ' ' LYS . 7.7 p . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.943 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.714 0.293 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.611 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 1.6 p -49.11 128.01 15.56 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.639 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.499 HG21 ' C ' ' A' ' 6' ' ' CYS . 0.6 OUTLIER 60.45 135.84 0.01 OUTLIER 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.98 0.419 . . . . 0.0 111.386 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.555 ' NE ' ' HE2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -99.26 31.51 3.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.696 0.76 . . . . 0.0 109.136 178.667 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 136.72 5.7 1.9 Allowed Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 114.484 -1.235 . . . . 0.0 111.093 -179.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.4 t80 57.1 85.58 0.08 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.656 -0.272 . . . . 0.0 110.585 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.05 55.0 0.65 Allowed 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.635 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 0.4 OUTLIER -112.08 159.23 18.7 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 177.891 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.468 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -150.8 161.5 42.54 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -178.227 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.516 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 94.78 58.45 1.18 Allowed Glycine 0 C--N 1.339 0.713 0 CA-C-N 115.309 -0.859 . . . . 0.0 113.349 179.077 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.516 ' C ' ' O ' ' A' ' 14' ' ' GLY . 30.7 mttt 14.39 88.52 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.109 0.563 . . . . 0.0 112.053 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.1 t 52.56 58.72 5.09 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.336 0.588 . . . . 0.0 109.716 -178.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.571 HG21 ' H ' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -79.22 155.94 28.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.539 -178.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.608 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.5 m -57.31 -57.21 13.61 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.58 -21.8 2.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.648 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.571 ' H ' HG21 ' A' ' 17' ' ' THR . 0.0 OUTLIER -77.66 -52.87 8.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.439 179.639 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.608 ' HG2' ' O ' ' A' ' 18' ' ' THR . 7.4 pt-20 -64.13 -30.31 71.39 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.311 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.35 -34.52 55.14 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.05 179.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.497 ' HG3' HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -52.53 -63.79 1.03 Allowed 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.661 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.561 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 1.1 m -51.91 -53.41 41.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.264 179.182 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.557 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -52.04 -40.98 61.91 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -178.748 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.51 -39.98 85.15 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -178.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.497 HD11 ' HG3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -83.69 -48.31 10.29 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.903 -179.206 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.555 ' HE2' ' NE ' ' A' ' 8' ' ' ARG . 1.7 m-85 -122.99 111.79 30.63 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.027 -179.013 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -81.25 44.37 1.73 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.619 2.213 . . . . 0.0 111.982 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.493 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 8.8 mmt180 -76.59 -175.49 3.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.869 -179.373 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -107.05 -13.94 20.17 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.257 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -121.96 12.03 10.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.235 0.54 . . . . 0.0 110.376 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.561 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 18.1 t -99.99 69.99 1.56 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.785 179.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.412 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 12.3 t -122.57 -132.93 0.28 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.428 -178.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.439 ' HA ' ' OE2' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -97.49 137.7 36.04 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.132 0.491 . . . . 0.0 111.302 -179.271 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.487 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.6 OUTLIER -145.85 112.14 5.78 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.496 179.816 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -123.87 156.06 36.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.95 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.4 m -100.21 -74.33 0.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.755 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.38 38.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.96 -173.59 3.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.814 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -82.48 -17.71 44.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.847 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.47 140.12 47.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.373 0.606 . . . . 0.0 111.579 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.635 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 7.7 p-80 -151.22 -172.51 4.23 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.93 -1.032 . . . . 0.0 108.937 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.594 ' HB2' ' HE2' ' A' ' 12' ' ' LYS . 77.8 p -153.91 -146.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.701 177.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 5.1 m -109.11 177.39 4.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.036 0.446 . . . . 0.0 111.55 -179.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -149.5 47.2 0.96 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.853 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.525 ' HB3' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -58.82 -24.91 62.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.306 179.414 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.611 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -127.34 141.46 51.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.653 -179.679 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.16 91.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.962 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 25.7 p . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.945 -179.879 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.906 0.384 . . . . 0.0 111.462 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.509 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER -49.66 139.85 12.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.227 179.685 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.763 ' H ' ' HB2' ' A' ' 45' ' ' CYS . 0.6 OUTLIER 59.84 153.06 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.366 0.603 . . . . 0.0 112.352 179.237 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.532 ' HD2' ' OH ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -99.73 34.74 2.17 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.401 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.3 14.61 8.19 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.762 -178.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 60.78 84.15 0.13 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.527 -0.336 . . . . 0.0 110.489 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.71 53.1 0.59 Allowed 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.668 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -110.99 154.01 24.75 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 178.239 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -148.96 155.81 41.36 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -177.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.483 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 102.85 47.95 1.31 Allowed Glycine 0 C--N 1.338 0.663 0 CA-C-N 115.27 -0.877 . . . . 0.0 113.199 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.459 ' N ' ' HE1' ' A' ' 43' ' ' HIS . 1.8 mmtp 27.28 83.12 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.815 0.34 . . . . 0.0 111.525 -179.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.427 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 52.36 52.59 13.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.196 0.522 . . . . 0.0 110.504 -179.109 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.523 ' H ' ' HE2' ' A' ' 43' ' ' HIS . 0.9 OUTLIER -75.62 154.22 36.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.635 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.566 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -51.72 -55.43 19.67 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.659 179.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.24 -25.66 3.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.403 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.537 ' HG3' ' NE2' ' A' ' 43' ' ' HIS . 3.6 mm-40 -80.03 -49.45 11.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.486 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.566 ' HG2' ' HA ' ' A' ' 18' ' ' THR . 7.3 pt-20 -65.94 -23.01 66.53 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 178.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.24 -38.49 35.46 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.619 178.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.617 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -53.73 -51.0 64.72 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.53 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.552 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 3.3 m -67.99 -33.68 75.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.044 -0.98 . . . . 0.0 112.198 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.557 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -77.72 -72.25 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.08 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.665 ' HG1' HD11 ' A' ' 27' ' ' LEU . 81.9 p -48.14 -39.65 21.29 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -179.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.665 HD11 ' HG1' ' A' ' 26' ' ' THR . 5.7 mp -85.49 -38.44 18.58 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.771 -179.193 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.532 ' OH ' ' HD2' ' A' ' 8' ' ' ARG . 0.2 OUTLIER -116.14 105.36 51.03 Favored Pre-proline 0 CA--C 1.529 0.164 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.399 -178.558 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -79.91 69.85 7.76 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.181 1.921 . . . . 0.0 111.153 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.423 ' HE ' ' HA ' ' A' ' 30' ' ' ARG . 1.6 mmp_? -109.45 -176.42 3.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.424 0.63 . . . . 0.0 112.293 -178.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -118.54 -24.88 3.03 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 114.986 -1.007 . . . . 0.0 111.27 179.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.72 12.73 24.01 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.085 0.469 . . . . 0.0 110.285 179.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.552 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 32.1 t -101.13 145.39 28.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.364 179.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.436 ' HB ' ' O ' ' A' ' 33' ' ' CYS . 12.2 t -179.28 -147.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.011 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.95 139.79 33.26 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.977 0.418 . . . . 0.0 111.215 -179.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.6 OUTLIER -139.04 111.73 7.72 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.606 179.822 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -126.19 158.67 35.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.026 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.4 m -117.55 -80.97 0.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.703 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.86 60.88 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.735 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.45 ' O ' ' HB3' ' A' ' 41' ' ' ASN . 5.7 mtm -150.07 14.42 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.31 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.45 ' HB3' ' O ' ' A' ' 40' ' ' MET . 50.4 t30 74.93 -32.35 0.22 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.18 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.448 ' H ' ' C ' ' A' ' 40' ' ' MET . 0.1 OUTLIER -100.24 143.89 29.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.227 0.537 . . . . 0.0 110.886 179.397 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.668 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 2.8 p-80 -150.47 -174.77 4.86 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.367 -179.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.486 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 77.7 p -154.12 -146.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.976 -0.289 . . . . 0.0 110.455 177.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.763 ' HB2' ' H ' ' A' ' 7' ' ' THR . 34.5 m -104.34 171.54 7.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.02 0.438 . . . . 0.0 111.413 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -150.63 43.24 0.82 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.412 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.505 ' HB3' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -62.66 -23.77 67.28 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.323 0.582 . . . . 0.0 109.883 179.174 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.509 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -132.43 136.14 46.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.532 -179.879 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.5 94.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.118 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 20.7 p . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.941 -179.956 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.748 0.308 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.72 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 12.4 p -49.51 127.4 15.36 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.009 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.676 HG21 ' H ' ' A' ' 45' ' ' CYS . 0.6 OUTLIER 59.76 153.93 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.303 0.573 . . . . 0.0 112.325 179.414 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.428 ' HD3' ' HH ' ' A' ' 28' ' ' TYR . 11.7 mtp-105 -103.43 29.73 5.45 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 178.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.38 17.72 4.31 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.007 -178.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.5 ' H ' ' HG1' ' A' ' 7' ' ' THR . 1.4 t80 61.49 93.26 0.05 OUTLIER 'General case' 0 C--O 1.231 0.118 0 CA-C-N 115.716 -0.242 . . . . 0.0 110.84 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.01 52.35 0.27 Allowed 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.806 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -112.75 157.56 21.17 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 177.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.476 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.1 OUTLIER -148.83 155.39 40.85 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -178.243 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.528 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 95.75 59.68 1.06 Allowed Glycine 0 C--N 1.341 0.858 0 CA-C-N 115.174 -0.921 . . . . 0.0 113.421 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.508 ' N ' ' CE1' ' A' ' 43' ' ' HIS . 3.5 mttp 19.94 84.09 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 122.978 0.511 . . . . 0.0 111.932 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.44 ' H ' ' NE2' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 49.3 55.76 8.85 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.551 0.691 . . . . 0.0 109.834 -178.516 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.568 HG23 ' H ' ' A' ' 20' ' ' GLU . 0.6 OUTLIER -74.12 159.25 32.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.783 -1.099 . . . . 0.0 111.509 -179.103 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.602 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.1 m -57.12 -49.95 74.31 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.322 179.287 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.508 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 0.2 OUTLIER -54.86 -24.83 24.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.554 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.806 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -85.91 -41.23 15.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.623 179.267 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.602 ' HG2' ' HA ' ' A' ' 18' ' ' THR . 5.2 pt-20 -65.24 -34.19 77.78 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.089 179.71 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.649 ' HG3' ' H ' ' A' ' 23' ' ' LYS . 1.6 pp20? -72.07 -52.05 18.7 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 178.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.649 ' H ' ' HG3' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -38.77 -44.78 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.887 178.548 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 45.0 m -70.37 -45.54 65.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.244 -0.889 . . . . 0.0 112.718 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.5 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -72.31 -65.38 0.79 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.793 0.33 . . . . 0.0 111.83 -178.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.454 ' OG1' HD11 ' A' ' 27' ' ' LEU . 46.3 p -49.42 -44.45 45.36 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -179.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.608 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 6.2 mp -85.76 -40.4 16.12 Favored 'General case' 0 CA--C 1.528 0.121 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -178.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.515 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -111.4 114.13 53.21 Favored Pre-proline 0 CA--C 1.531 0.25 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.499 -178.337 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -89.03 89.76 0.4 Allowed 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 122.771 2.314 . . . . 0.0 111.541 178.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -139.28 -178.89 5.57 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.348 0.594 . . . . 0.0 112.263 -178.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.23 -32.13 2.66 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.144 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.41 15.09 28.97 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.352 0.596 . . . . 0.0 109.813 179.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.522 ' HB2' ' HB3' ' A' ' 47' ' ' CYS . 35.0 t -103.11 137.23 41.56 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.256 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.7 t -177.24 -155.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.146 -179.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.7 p -96.48 128.33 43.31 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 121.259 0.552 . . . . 0.0 111.086 -179.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 4.5 t -137.68 126.54 24.03 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.341 -179.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.444 ' HA ' ' HB3' ' A' ' 43' ' ' HIS . 1.8 p30 -119.57 164.95 15.07 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.597 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.5 m -101.3 -72.75 0.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.694 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.36 37.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.448 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 14.3 mtt -140.57 -158.01 0.82 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.603 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -92.22 -27.04 17.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.043 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.22 141.62 35.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.518 0.675 . . . . 0.0 111.638 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.633 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 2.9 p-80 -151.35 -174.12 4.72 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.768 -1.106 . . . . 0.0 108.748 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.61 ' HB2' ' HE2' ' A' ' 12' ' ' LYS . 90.9 p -154.51 -143.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.132 177.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.676 ' H ' HG21 ' A' ' 7' ' ' THR . 0.1 OUTLIER -101.09 170.62 8.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.065 0.46 . . . . 0.0 111.99 -179.342 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -150.79 33.69 0.61 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.393 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.522 ' HB3' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -57.44 -25.17 59.23 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.383 0.611 . . . . 0.0 109.935 179.096 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.72 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -133.22 136.18 45.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.398 -179.799 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.06 94.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.066 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 48' ' ' LYS . 29.7 p . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.93 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.411 ' HE ' ' HB2' ' A' ' 5' ' ' ARG . 7.1 ttm180 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.909 0.385 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.422 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 1.6 p -57.57 136.33 56.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.243 179.86 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.633 HG23 ' H ' ' A' ' 45' ' ' CYS . 0.6 OUTLIER 58.5 165.67 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.3 0.571 . . . . 0.0 112.364 179.084 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.669 HH11 ' HD2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -107.58 23.56 14.26 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 177.976 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.21 20.25 2.5 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 114.142 -1.39 . . . . 0.0 110.926 -178.367 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.436 ' HD1' ' OG ' ' A' ' 44' ' ' SER . 51.7 t80 63.29 88.66 0.1 Allowed 'General case' 0 C--O 1.231 0.107 0 CA-C-N 115.601 -0.3 . . . . 0.0 110.449 -179.589 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.522 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -158.56 52.0 0.41 Allowed 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -179.611 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.801 ' HE2' ' HG2' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -111.98 150.5 30.48 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 177.398 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -142.86 153.27 43.0 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 -177.415 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.471 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 108.78 36.73 2.16 Favored Glycine 0 C--N 1.338 0.693 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.919 179.354 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.511 ' N ' ' CE1' ' A' ' 43' ' ' HIS . 5.5 mttt 33.96 86.24 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.008 0.432 . . . . 0.0 111.133 -179.028 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.439 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 49.28 55.62 9.06 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.249 -178.194 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.591 ' H ' ' HE2' ' A' ' 43' ' ' HIS . 0.9 OUTLIER -81.24 153.7 27.01 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.631 -179.831 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.546 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.9 m -52.0 -59.28 4.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.876 179.693 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.16 -22.92 1.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.523 -179.513 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.699 ' HB3' ' HB3' ' A' ' 12' ' ' LYS . 9.7 mm-40 -84.05 -48.14 10.21 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.861 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.546 ' HG2' ' HA ' ' A' ' 18' ' ' THR . 1.4 pt-20 -62.87 -29.64 70.9 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.878 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -78.07 -40.24 39.16 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.476 179.156 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.801 ' HG2' ' HE2' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -49.85 -56.9 8.67 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.746 0.784 . . . . 0.0 109.15 178.766 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.558 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -66.54 -29.8 69.96 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.756 -1.111 . . . . 0.0 111.236 179.588 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.531 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -72.13 -77.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.205 -0.452 . . . . 0.0 112.094 -179.522 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.9 p -48.98 -31.74 7.97 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.754 0.649 . . . . 0.0 112.754 -178.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.577 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 4.6 mp -85.41 -34.51 21.69 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.294 -179.503 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.627 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -120.32 106.08 40.99 Favored Pre-proline 0 CA--C 1.531 0.237 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.805 -179.236 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -82.82 90.05 1.08 Allowed 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.373 2.049 . . . . 0.0 112.058 179.451 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -141.51 -173.17 3.69 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.261 0.553 . . . . 0.0 111.996 -179.067 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -107.28 -49.95 0.84 Allowed Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.143 178.79 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.486 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 27.7 mm-40 -82.61 12.54 4.54 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.535 0.683 . . . . 0.0 109.505 178.687 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.627 ' SG ' ' HB2' ' A' ' 28' ' ' TYR . 12.4 t -105.02 116.96 32.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.803 -1.089 . . . . 0.0 110.499 -179.571 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.425 HG23 ' N ' ' A' ' 35' ' ' CYS . 14.0 t -167.37 -138.26 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.419 -179.571 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.425 ' N ' HG23 ' A' ' 34' ' ' THR . 13.6 t -98.17 137.35 37.07 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 121.826 -0.547 . . . . 0.0 111.314 -179.546 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.489 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -136.64 105.21 5.8 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.583 179.848 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.407 ' HB2' ' CG ' ' A' ' 43' ' ' HIS . 1.4 t70 -130.96 114.94 15.85 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.783 -179.914 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.2 t -150.74 14.27 0.74 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.924 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -110.28 -75.5 0.62 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.196 -179.641 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.3 ttm -150.42 -150.92 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.392 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -59.78 -19.67 51.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.712 179.488 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.22 140.63 37.56 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.39 0.614 . . . . 0.0 111.575 179.822 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.682 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 7.2 p-80 -151.2 -176.04 5.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.47 -179.76 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.587 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 90.2 p -154.88 -145.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 121.082 -0.247 . . . . 0.0 110.393 177.352 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.633 ' H ' HG23 ' A' ' 7' ' ' THR . 44.8 t -113.79 171.03 7.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.547 0.213 . . . . 0.0 110.791 179.53 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.443 ' HB2' ' HG ' ' A' ' 36' ' ' SER . 6.8 t70 -150.38 48.17 0.89 Allowed 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -179.635 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.527 ' HB3' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -59.88 -30.25 68.87 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.159 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.422 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -121.29 137.68 54.58 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.234 -1.348 . . . . 0.0 110.118 179.619 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.6 92.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.049 -179.829 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.415 ' N ' ' O ' ' A' ' 48' ' ' LYS . 31.8 p . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.885 -179.563 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.091 0 CA-C-O 120.483 0.183 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.749 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 25.4 p -46.51 114.18 0.77 Allowed 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.377 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.592 ' HA ' ' NZ ' ' A' ' 12' ' ' LYS . 0.4 OUTLIER 59.7 147.83 0.01 OUTLIER 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.416 0.627 . . . . 0.0 112.634 179.367 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.57 33.3 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 177.716 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.499 ' H ' ' HG1' ' A' ' 7' ' ' THR . . . 97.17 38.44 4.31 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 110.074 -1.21 . . . . 0.0 110.074 -177.694 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.543 ' HE1' ' HA ' ' A' ' 43' ' ' HIS . 0.2 OUTLIER 65.03 81.44 0.21 Allowed 'General case' 0 CA--C 1.521 -0.14 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -178.154 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.506 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -130.99 41.87 3.3 Favored 'General case' 0 N--CA 1.457 -0.104 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 -177.699 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.836 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 3.3 mptt -132.47 154.86 49.48 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.292 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.504 ' HB3' HG22 ' A' ' 42' ' ' THR . 0.2 OUTLIER -151.82 157.0 41.33 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -178.534 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 95.2 56.22 1.3 Allowed Glycine 0 C--N 1.338 0.676 0 CA-C-N 115.619 -0.718 . . . . 0.0 113.481 179.088 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 14' ' ' GLY . 1.2 mttp 21.93 86.66 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 122.93 0.492 . . . . 0.0 111.835 179.896 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 51.29 64.35 1.88 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.401 0.619 . . . . 0.0 110.109 -178.655 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.516 ' H ' ' HE2' ' A' ' 43' ' ' HIS . 0.9 OUTLIER -83.08 153.09 25.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.008 -179.425 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.8 m -54.26 -56.93 13.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.874 0.368 . . . . 0.0 110.254 179.356 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.19 -20.61 2.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.836 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -80.52 -50.41 10.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.388 179.68 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.691 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 3.4 pt-20 -61.0 -38.94 87.82 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.226 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.569 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -68.87 -41.15 78.79 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.293 179.174 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.505 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -49.8 -40.25 41.09 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.784 0.802 . . . . 0.0 108.953 178.718 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 61.0 m -72.3 -34.86 68.44 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 114.43 -1.259 . . . . 0.0 112.015 -179.832 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.691 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 9.6 mmpt? -73.96 -63.07 1.29 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.81 0.338 . . . . 0.0 111.761 -179.219 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.6 p -55.03 -43.68 73.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.487 -178.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.505 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 6.2 mp -86.02 -40.14 16.1 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -178.55 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.502 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.3 OUTLIER -112.36 112.29 51.97 Favored Pre-proline 0 CA--C 1.534 0.344 0 C-N-CA 120.671 -0.412 . . . . 0.0 112.077 -178.202 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -89.01 90.24 0.4 Allowed 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.695 2.263 . . . . 0.0 111.632 178.854 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.658 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 4.1 mmt180 -142.17 -174.28 4.06 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.404 0.621 . . . . 0.0 112.265 -178.916 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -113.27 -35.73 1.58 Allowed Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.046 178.692 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.426 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 0.6 OUTLIER -96.04 14.72 22.82 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.382 0.611 . . . . 0.0 109.65 178.788 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.658 ' HB2' ' HB2' ' A' ' 30' ' ' ARG . 15.4 t -99.66 133.05 44.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.097 179.896 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 33' ' ' CYS . 11.5 t -176.11 -144.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.123 -179.337 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -97.58 135.68 39.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.134 0.493 . . . . 0.0 111.423 -179.323 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.489 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 3.2 t -141.71 123.45 15.18 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.089 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.444 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 19.5 t70 -125.05 155.89 39.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.749 179.901 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.12 -73.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.877 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.03 40.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.669 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.9 mtm -145.83 -179.13 6.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -72.63 -30.79 64.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 -179.86 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.504 HG22 ' HB3' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -99.78 140.22 34.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.332 0.587 . . . . 0.0 111.742 -179.769 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.619 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 8.8 p-80 -150.58 -177.48 6.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.153 179.839 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.685 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 25.3 p -153.65 -142.97 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.4 178.108 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.527 ' N ' HG21 ' A' ' 7' ' ' THR . 0.1 OUTLIER -99.77 176.68 5.37 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -178.21 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.464 ' HB2' ' CB ' ' A' ' 36' ' ' SER . 4.5 t70 -151.83 25.45 0.65 Allowed 'General case' 0 C--O 1.231 0.109 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.145 179.569 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.475 ' HB3' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -54.26 -24.64 19.59 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.371 0.605 . . . . 0.0 109.976 179.415 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.749 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.3 OUTLIER -133.86 128.97 35.74 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.377 -179.76 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.31 85.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.503 179.807 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 48' ' ' LYS . 6.8 p . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.959 -179.534 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.373 0.13 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.699 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 20.1 p -40.36 111.0 0.17 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.231 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.672 HG21 ' H ' ' A' ' 45' ' ' CYS . 0.8 OUTLIER 62.02 150.16 0.02 OUTLIER 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.239 0.542 . . . . 0.0 111.691 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.555 ' HD2' ' OH ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -99.39 35.2 2.0 Allowed 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.752 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.76 18.48 6.93 Favored Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.969 -178.74 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.404 ' HA ' ' CB ' ' A' ' 44' ' ' SER . 1.1 t80 58.93 78.03 0.28 Allowed 'General case' 0 N--CA 1.457 -0.084 0 CA-C-N 115.668 -0.266 . . . . 0.0 110.336 -179.569 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.459 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -149.09 54.98 0.98 Allowed 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -179.266 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.703 ' HE3' ' HG2' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -112.46 157.47 21.05 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.35 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.416 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -145.7 158.82 43.81 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -178.398 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.533 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 92.27 64.07 1.13 Allowed Glycine 0 C--N 1.337 0.622 0 CA-C-N 115.344 -0.844 . . . . 0.0 112.827 179.739 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.533 ' C ' ' O ' ' A' ' 14' ' ' GLY . 14.1 mtmt 5.51 91.51 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.309 0.644 . . . . 0.0 112.087 -179.561 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.407 ' H ' ' NE2' ' A' ' 43' ' ' HIS . 4.0 t 54.71 68.43 0.86 Allowed 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.532 -178.329 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.624 HG21 ' H ' ' A' ' 20' ' ' GLU . 0.6 OUTLIER -93.34 158.15 15.88 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.213 -178.775 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.569 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 4.6 m -55.84 -71.89 0.08 Allowed 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.123 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.29 -23.72 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.722 -179.924 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.67 ' OE1' ' HB2' ' A' ' 35' ' ' CYS . 2.0 tm-20 -77.38 -64.5 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.266 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.569 ' HG2' ' O ' ' A' ' 18' ' ' THR . 8.7 pt-20 -52.16 -30.82 28.59 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.677 0.751 . . . . 0.0 109.007 178.41 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.37 -42.51 53.88 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.295 179.366 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.703 ' HG2' ' HE3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -45.6 -47.55 14.66 Favored 'General case' 0 CA--C 1.519 -0.235 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 178.57 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.59 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 2.9 m -59.86 -54.57 44.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.641 -1.163 . . . . 0.0 111.027 178.631 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.562 ' HE3' ' HB2' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -65.38 -78.78 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -179.19 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.451 ' OG1' HD12 ' A' ' 27' ' ' LEU . 73.7 p -34.71 -43.41 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -178.848 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.57 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.4 mp -86.01 -33.91 20.93 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.734 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.555 ' OH ' ' HD2' ' A' ' 8' ' ' ARG . 0.3 OUTLIER -121.84 132.39 24.25 Favored Pre-proline 0 CA--C 1.529 0.148 0 C-N-CA 120.418 -0.513 . . . . 0.0 112.001 -177.986 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -86.59 62.85 4.66 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.691 2.261 . . . . 0.0 110.174 177.589 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.866 ' HD2' ' HB3' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -84.23 -170.69 3.22 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -177.537 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -147.35 -27.68 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 114.061 -1.427 . . . . 0.0 111.031 179.204 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -112.68 19.51 17.38 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.084 0.469 . . . . 0.0 110.24 179.28 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.866 ' HB3' ' HD2' ' A' ' 30' ' ' ARG . 7.2 t -105.03 172.05 6.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.958 -179.745 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.618 ' HB ' ' O ' ' A' ' 33' ' ' CYS . 15.1 t 163.67 -142.95 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.346 0 O-C-N 123.892 0.745 . . . . 0.0 110.291 179.323 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.67 ' HB2' ' OE1' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -96.8 125.47 41.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.995 0.426 . . . . 0.0 110.641 -179.899 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.42 111.64 10.92 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.193 -179.701 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.45 ' HA ' ' HB3' ' A' ' 43' ' ' HIS . 0.9 OUTLIER -109.28 164.8 12.14 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.638 179.803 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 m -111.57 -75.45 0.61 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.4 30.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.634 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 9.9 mtp -141.84 178.87 7.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.766 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -71.78 -18.21 62.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.64 142.06 38.18 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.367 0.603 . . . . 0.0 111.411 179.749 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.616 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.9 p-80 -151.25 -170.1 3.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.187 -179.806 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.545 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 87.7 p -153.7 -148.03 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.964 177.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.672 ' H ' HG21 ' A' ' 7' ' ' THR . 57.8 m -105.0 178.72 4.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.001 0.429 . . . . 0.0 111.568 -179.49 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -150.44 44.56 0.87 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.848 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.401 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 1.8 m -65.3 -21.8 66.76 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 121.46 0.648 . . . . 0.0 110.524 179.628 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.699 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -135.2 152.68 51.8 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.625 -179.263 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.9 p -75.99 39.44 0.18 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.465 ' H ' ' C ' ' A' ' 48' ' ' LYS . 5.4 p . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.882 179.859 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.649 0.261 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.673 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 16.5 p -50.87 141.93 12.53 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.84 179.776 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.714 ' H ' ' HB2' ' A' ' 45' ' ' CYS . 0.9 OUTLIER 61.0 149.9 0.02 OUTLIER 'General case' 0 C--O 1.231 0.087 0 CA-C-O 121.41 0.624 . . . . 0.0 112.192 179.665 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.549 ' CZ ' HD13 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -99.88 32.51 2.88 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 178.466 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.6 18.69 8.8 Favored Glycine 0 N--CA 1.444 -0.806 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.554 -178.093 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.429 ' HA ' ' CB ' ' A' ' 44' ' ' SER . 0.4 OUTLIER 63.85 86.8 0.12 Allowed 'General case' 0 C--O 1.231 0.114 0 CA-C-N 115.383 -0.408 . . . . 0.0 110.458 -179.403 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -152.9 47.89 0.71 Allowed 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -179.527 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.663 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 1.8 mptt -110.31 154.49 23.41 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 177.758 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -149.97 154.99 39.16 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 -177.945 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.494 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 104.78 45.32 1.41 Allowed Glycine 0 C--N 1.336 0.556 0 CA-C-N 115.12 -0.945 . . . . 0.0 113.27 179.28 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.472 ' N ' ' HE1' ' A' ' 43' ' ' HIS . 0.0 OUTLIER 30.17 81.01 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 120.922 0.392 . . . . 0.0 111.173 -179.738 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.468 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 52.99 56.13 7.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.272 -178.623 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.552 HG21 ' N ' ' A' ' 18' ' ' THR . 0.9 OUTLIER -78.83 153.77 30.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.756 -179.69 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.552 ' N ' HG21 ' A' ' 17' ' ' THR . 1.2 m -52.15 -54.79 26.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.758 179.631 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.1 -24.99 4.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.285 -179.718 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.522 ' HG2' ' HB ' ' A' ' 17' ' ' THR . 5.9 mm-40 -80.29 -47.9 13.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.691 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.519 ' HG3' ' N ' ' A' ' 22' ' ' GLU . 2.8 pt-20 -63.42 -35.08 79.23 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.793 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.519 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -66.33 -41.46 89.57 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.131 178.503 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.635 ' HE2' ' HG3' ' A' ' 12' ' ' LYS . 0.5 OUTLIER -51.75 -65.64 0.52 Allowed 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.393 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.538 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 13.4 m -49.55 -28.76 5.94 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.608 -0.723 . . . . 0.0 112.272 179.688 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -73.52 0.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -179.619 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.5 p -59.06 -21.45 59.16 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -179.131 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.61 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 4.5 mm? -85.34 -43.32 13.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.777 0.322 . . . . 0.0 111.19 -179.839 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.467 ' CD2' ' HA ' ' A' ' 24' ' ' CYS . 1.5 m-85 -131.53 111.86 15.15 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.307 -178.246 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -80.92 59.93 7.67 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.52 2.147 . . . . 0.0 111.636 179.384 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.454 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -101.8 166.19 10.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.99 -178.945 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -95.85 -13.29 50.64 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 178.261 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -119.75 16.86 12.74 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.031 0.443 . . . . 0.0 110.277 179.404 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.569 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 33.7 t -99.69 131.76 45.48 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.335 179.724 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.516 HG22 ' N ' ' A' ' 35' ' ' CYS . 6.6 t -172.84 -150.89 0.05 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.977 -179.177 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.516 ' N ' HG22 ' A' ' 34' ' ' THR . 0.6 OUTLIER -97.19 125.59 41.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.074 0.464 . . . . 0.0 111.158 -179.449 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.3 t -126.81 130.76 50.88 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.744 179.83 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -147.27 165.1 31.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.685 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.7 t -109.19 -70.46 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.646 179.83 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -169.63 49.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.544 179.848 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.3 mtt -141.0 -176.44 4.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -82.18 -25.18 34.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.042 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.34 143.18 34.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.504 0.669 . . . . 0.0 111.97 -179.769 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.663 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 2.8 p-80 -150.97 -174.22 4.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.849 -1.069 . . . . 0.0 108.673 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.593 ' HB2' ' HZ2' ' A' ' 12' ' ' LYS . 78.8 p -154.16 -137.39 0.07 Allowed 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.216 177.516 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.714 ' HB2' ' H ' ' A' ' 7' ' ' THR . 59.6 m -110.42 173.5 6.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.139 0.495 . . . . 0.0 112.031 -178.932 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -150.59 37.24 0.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.584 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.569 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -57.33 -23.35 48.25 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.724 179.829 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.673 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -142.34 164.38 30.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.249 -179.451 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.9 p -78.65 48.14 0.78 Allowed 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 114.53 -1.214 . . . . 0.0 110.996 -179.783 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.846 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.423 ' HE ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.806 0.336 . . . . 0.0 111.116 . . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.491 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 1.3 p -51.77 124.61 12.88 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.936 179.767 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.851 ' HB ' ' H ' ' A' ' 45' ' ' CYS . 10.4 t 45.96 164.97 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 179.795 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.674 ' HD2' HD23 ' A' ' 27' ' ' LEU . 22.3 mtp85 -99.6 47.34 0.95 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.382 179.356 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.32 38.55 7.16 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 -178.438 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.534 ' HA ' ' CB ' ' A' ' 44' ' ' SER . 11.5 t80 65.35 94.72 0.06 Allowed 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.3 -0.45 . . . . 0.0 109.914 -179.145 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.494 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -148.24 51.75 1.02 Allowed 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -178.23 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.799 ' HD3' ' HA ' ' A' ' 44' ' ' SER . 0.0 OUTLIER -134.75 151.79 51.25 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.875 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.496 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.3 OUTLIER -151.01 154.6 37.37 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -178.449 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.49 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 100.27 53.29 1.09 Allowed Glycine 0 C--N 1.34 0.79 0 CA-C-N 115.85 -0.613 . . . . 0.0 113.626 179.168 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.503 ' N ' ' HE1' ' A' ' 43' ' ' HIS . 0.0 OUTLIER 25.66 81.94 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.024 0.44 . . . . 0.0 111.775 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.437 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.6 OUTLIER 52.98 52.74 13.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.436 0.636 . . . . 0.0 109.943 -178.771 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.496 ' HB ' ' O ' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -73.46 158.6 34.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.05 -179.549 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.524 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.3 m -53.71 -53.6 49.78 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.217 179.266 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.64 -23.24 2.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.099 179.925 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.684 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -79.35 -52.43 8.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.198 179.461 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.524 ' HG2' ' O ' ' A' ' 18' ' ' THR . 13.4 pt-20 -63.18 -24.06 67.71 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.64 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.13 -44.54 21.81 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.776 179.001 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.638 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -46.15 -43.6 15.17 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 121.551 0.691 . . . . 0.0 109.262 178.328 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.558 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 66.4 m -71.53 -45.04 63.47 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.669 -1.15 . . . . 0.0 112.878 -179.464 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.532 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -70.1 -60.24 2.41 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -178.323 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.8 p -61.59 -46.05 91.52 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -178.702 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.674 HD23 ' HD2' ' A' ' 8' ' ' ARG . 6.2 mp -86.07 -37.27 19.03 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -178.238 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.558 ' CD2' ' HA ' ' A' ' 24' ' ' CYS . 0.2 OUTLIER -115.74 78.78 7.2 Favored Pre-proline 0 CA--C 1.531 0.233 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.897 -177.733 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -58.29 90.58 0.06 OUTLIER 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.101 1.867 . . . . 0.0 111.727 179.273 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.93 -174.54 3.81 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 121.492 0.663 . . . . 0.0 112.336 -178.912 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -115.79 -34.49 1.39 Allowed Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 114.881 -1.054 . . . . 0.0 111.189 178.818 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -100.02 14.81 29.34 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.365 0.602 . . . . 0.0 109.871 178.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.587 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 32.2 t -99.65 128.45 45.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.718 179.765 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.451 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 6.4 t -166.12 -154.73 0.2 Allowed 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.805 -178.942 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.535 ' HB2' ' HG3' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -96.21 135.35 38.14 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.344 0.592 . . . . 0.0 112.11 -178.287 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.2 t -146.42 123.81 11.65 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.539 179.78 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.24 154.5 20.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.163 -179.515 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.4 t -150.08 -37.41 0.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.606 179.845 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.446 ' HB3' ' H ' ' A' ' 40' ' ' MET . 5.3 mmtp -82.81 -133.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.722 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.446 ' H ' ' HB3' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -99.73 -104.79 0.22 Allowed 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 120.651 0.263 . . . . 0.0 110.653 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -82.4 -15.6 52.11 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.906 0.384 . . . . 0.0 110.421 179.557 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.486 ' HB ' ' CZ ' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -99.86 141.53 32.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.292 0.568 . . . . 0.0 111.092 179.626 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.57 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.7 p-80 -149.57 -176.33 5.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.192 -179.631 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.799 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 30.0 p -153.3 -158.98 0.93 Allowed 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.182 -0.607 . . . . 0.0 111.286 178.458 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.851 ' H ' ' HB ' ' A' ' 7' ' ' THR . 0.9 OUTLIER -99.66 167.31 10.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.146 0.498 . . . . 0.0 112.083 -178.638 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -150.43 41.47 0.8 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.961 179.697 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.587 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -54.56 -25.63 27.22 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.395 0.617 . . . . 0.0 109.965 179.353 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.491 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.9 OUTLIER -128.55 133.32 48.36 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.363 179.894 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.43 91.84 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.071 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 20.0 p . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.853 -179.734 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.0 ttm105 . . . . . 0 C--O 1.233 0.198 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.665 ' HA ' ' HB2' ' A' ' 47' ' ' CYS . 2.2 p -46.84 146.16 1.72 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.581 179.139 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.707 HG22 ' HG ' ' A' ' 44' ' ' SER . 1.0 OUTLIER 61.43 141.34 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.213 0.53 . . . . 0.0 111.816 179.935 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.69 ' HD2' ' OH ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -99.37 45.78 0.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 179.042 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.11 11.75 15.36 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.187 -178.824 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.3 t80 57.76 79.91 0.19 Allowed 'General case' 0 C--O 1.232 0.151 0 N-CA-C 110.503 -0.184 . . . . 0.0 110.503 -179.885 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.82 55.4 0.84 Allowed 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -179.339 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.795 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 5.2 mptt -105.4 155.43 19.13 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.179 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.409 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -145.38 148.64 33.58 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.32 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.478 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 102.8 44.8 1.73 Allowed Glycine 0 C--N 1.338 0.64 0 CA-C-N 115.515 -0.766 . . . . 0.0 113.481 179.123 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.529 ' N ' ' CE1' ' A' ' 43' ' ' HIS . 0.6 OUTLIER 30.64 87.14 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 122.777 0.431 . . . . 0.0 111.589 -179.629 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 49.56 48.74 21.02 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-O 121.582 0.706 . . . . 0.0 109.573 -178.564 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.492 HG23 ' N ' ' A' ' 18' ' ' THR . 0.6 OUTLIER -70.1 160.01 32.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.519 -179.092 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.569 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -55.73 -53.53 55.47 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.358 179.23 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.423 ' H ' HG23 ' A' ' 17' ' ' THR . 0.2 OUTLIER -52.36 -25.88 10.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 -179.918 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.795 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -79.71 -46.97 16.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.526 179.68 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.678 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 7.5 pt-20 -64.58 -30.71 71.74 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 178.606 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.6 -45.08 69.41 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.894 -1.048 . . . . 0.0 109.421 178.58 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.701 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -50.32 -36.68 32.95 Favored 'General case' 0 C--O 1.219 -0.508 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.14 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.543 ' SG ' ' O ' ' A' ' 34' ' ' THR . 90.0 m -68.97 -37.86 79.04 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.123 -0.944 . . . . 0.0 112.305 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.661 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -81.63 -64.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 -179.107 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.1 p -51.86 -36.55 48.81 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -179.331 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.701 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 0.7 OUTLIER -82.83 -40.7 20.0 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.657 0.265 . . . . 0.0 111.526 -179.284 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.69 ' OH ' ' HD2' ' A' ' 8' ' ' ARG . 1.3 m-85 -129.51 134.24 26.01 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.785 -177.039 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -91.09 24.26 0.58 Allowed 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 122.921 2.414 . . . . 0.0 111.76 179.036 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.612 ' CB ' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -66.16 157.93 30.02 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -178.766 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -99.28 -19.42 21.07 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 109.396 -1.482 . . . . 0.0 109.396 177.05 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -102.85 19.08 20.01 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 114.634 -0.783 . . . . 0.0 109.507 178.77 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.612 ' HB2' ' CB ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -98.65 143.54 28.92 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.714 179.888 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.543 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 1.3 t -177.83 -169.13 0.2 Allowed 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.191 -179.115 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.4 p -96.04 133.17 40.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.119 0.485 . . . . 0.0 111.715 -178.682 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.533 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -139.46 127.38 22.18 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.333 -179.517 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.477 ' OD2' ' HE2' ' A' ' 15' ' ' LYS . 22.3 t70 -128.88 139.73 52.01 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.435 179.537 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.9 t -150.15 15.27 0.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.233 -179.762 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.477 ' HB3' ' H ' ' A' ' 40' ' ' MET . 0.0 OUTLIER -115.18 -100.87 0.43 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.372 -179.674 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.477 ' H ' ' HB3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -132.28 -86.22 0.47 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.917 0.389 . . . . 0.0 110.14 -179.871 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -110.42 -20.94 12.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.771 178.938 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -99.84 138.62 36.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.431 0.634 . . . . 0.0 111.072 179.634 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.598 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 5.3 p-80 -150.98 -166.62 2.59 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.95 -1.023 . . . . 0.0 108.981 -179.218 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.707 ' HG ' HG22 ' A' ' 7' ' ' THR . 88.6 p -154.18 -151.49 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.422 -0.511 . . . . 0.0 111.01 177.213 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.495 ' HB3' ' H ' ' A' ' 7' ' ' THR . 3.8 t -99.19 174.57 6.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.366 0.603 . . . . 0.0 112.176 -179.046 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.412 ' HB2' ' HB2' ' A' ' 36' ' ' SER . 12.4 t70 -142.54 37.95 1.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.692 179.316 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.665 ' HB2' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -49.59 -27.33 4.38 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.163 179.385 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.654 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -126.1 -177.0 3.8 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.706 -179.6 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.556 ' H ' ' HE3' ' A' ' 48' ' ' LYS . 0.5 OUTLIER -80.42 49.29 1.13 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.834 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.852 -179.955 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.131 0 CA-C-O 121.038 0.446 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.616 ' HB2' ' HA ' ' A' ' 46' ' ' ASP . 7.2 p -50.48 145.43 6.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.919 -179.928 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.56 HG23 ' HG ' ' A' ' 44' ' ' SER . 1.1 p 59.36 143.02 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 178.829 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.664 ' HD2' ' OH ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -99.75 31.12 3.35 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 177.997 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.63 12.34 4.62 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 114.464 -1.244 . . . . 0.0 110.912 -178.529 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.2 t80 59.71 84.6 0.11 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.554 -0.323 . . . . 0.0 110.672 -179.737 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.02 60.34 0.47 Allowed 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -179.567 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.667 ' HE2' ' H ' ' A' ' 45' ' ' CYS . 0.4 OUTLIER -113.21 154.83 26.09 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 178.206 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.469 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -150.45 153.61 36.23 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -178.312 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.437 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 104.02 44.46 1.62 Allowed Glycine 0 C--N 1.338 0.65 0 CA-C-N 115.419 -0.81 . . . . 0.0 113.624 178.948 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.487 ' N ' ' HE1' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 30.59 84.49 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 122.502 0.321 . . . . 0.0 111.443 179.923 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.6 t 53.51 49.07 20.34 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.374 0.607 . . . . 0.0 109.727 -178.698 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.515 HG23 ' N ' ' A' ' 18' ' ' THR . 0.7 OUTLIER -71.79 155.69 40.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.366 -179.217 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.576 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -53.39 -52.93 57.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.403 179.458 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.4 -29.2 14.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.737 -179.898 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.642 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -73.18 -49.78 26.19 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.432 179.772 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.617 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 4.9 pt-20 -65.7 -29.06 69.54 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.815 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.01 -36.88 72.61 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.066 178.518 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.656 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -55.21 -64.51 0.82 Allowed 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.454 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.671 ' SG ' ' HB3' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -49.83 -33.84 18.0 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.421 179.788 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.487 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -75.07 -83.63 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -178.878 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.5 p -47.29 -28.92 2.16 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.782 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.656 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 2.0 mm? -81.01 -38.1 28.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 111.058 -179.837 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.664 ' OH ' ' HD2' ' A' ' 8' ' ' ARG . 1.3 m-85 -135.2 117.1 12.37 Favored Pre-proline 0 N--CA 1.454 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.221 -177.791 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.518 ' O ' ' HD2' ' A' ' 30' ' ' ARG . 4.3 Cg_exo -78.18 85.48 1.81 Allowed 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.679 2.253 . . . . 0.0 111.842 179.533 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.551 ' HG3' ' SG ' ' A' ' 33' ' ' CYS . 18.4 mmm180 -132.3 -165.86 1.65 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.415 0.626 . . . . 0.0 112.001 -179.387 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -128.47 -26.92 0.93 Allowed Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 114.935 -1.03 . . . . 0.0 111.374 179.021 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -99.98 9.91 42.15 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.353 0.597 . . . . 0.0 110.241 179.231 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.671 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 84.4 m -101.9 136.85 41.03 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.099 179.678 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.407 ' HB ' ' O ' ' A' ' 33' ' ' CYS . 12.8 t -175.34 -132.68 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.749 -179.54 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -98.99 140.56 32.96 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-O 121.056 0.455 . . . . 0.0 111.719 -179.147 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.446 ' CB ' ' HB2' ' A' ' 46' ' ' ASP . 6.3 t -141.6 105.36 4.72 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.428 179.401 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -110.6 154.2 24.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.85 -179.73 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.23 -75.97 0.58 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.933 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.0 tptm -169.31 30.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.597 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -141.75 176.53 8.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.955 -179.815 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -65.53 -31.32 72.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.169 -179.906 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.76 142.33 31.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.492 0.663 . . . . 0.0 111.388 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.592 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 5.1 p-80 -150.68 -168.07 3.0 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.985 -1.007 . . . . 0.0 108.906 -179.835 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.603 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 45.4 p -152.68 -174.28 4.86 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.818 177.731 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.667 ' H ' ' HE2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -99.84 127.73 45.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.437 -179.174 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.616 ' HA ' ' HB2' ' A' ' 6' ' ' CYS . 6.6 t70 -99.49 61.33 1.18 Allowed 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.262 0.554 . . . . 0.0 110.379 179.5 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.449 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 2.0 t -49.93 -31.41 12.31 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.235 179.236 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.526 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -145.48 134.55 22.69 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.323 -1.308 . . . . 0.0 110.445 -179.735 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.29 94.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.345 -179.889 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.919 -179.805 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.432 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 1.8 ptm180 . . . . . 0 CA--C 1.529 0.156 0 N-CA-C 111.38 0.141 . . . . 0.0 111.38 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.698 ' HB3' ' N ' ' A' ' 48' ' ' LYS . 30.4 p -41.01 112.73 0.32 Allowed 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.54 ' HA ' ' HH ' ' A' ' 28' ' ' TYR . 1.6 p 57.14 135.13 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.286 0.565 . . . . 0.0 112.324 179.472 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.705 ' HE ' ' HD2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -99.89 29.81 4.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.615 0.722 . . . . 0.0 109.157 178.889 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 135.45 7.51 1.9 Allowed Glycine 0 N--CA 1.446 -0.684 0 CA-C-N 114.613 -1.176 . . . . 0.0 111.136 -179.136 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.4 t80 57.47 86.04 0.08 Allowed 'General case' 0 C--O 1.231 0.112 0 CA-C-N 115.785 -0.208 . . . . 0.0 110.584 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.458 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -157.56 57.76 0.5 Allowed 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -179.632 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.647 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -110.16 159.01 17.74 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 177.55 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.418 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -150.6 158.47 44.19 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 -178.303 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.475 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 101.82 49.91 1.22 Allowed Glycine 0 C--N 1.34 0.769 0 CA-C-N 115.189 -0.914 . . . . 0.0 113.622 179.043 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 14' ' ' GLY . 10.9 mttt 23.29 83.8 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 122.828 0.451 . . . . 0.0 111.539 -179.914 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.404 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 23.1 t 54.85 55.19 8.09 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.306 0.574 . . . . 0.0 109.89 -178.408 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.522 HG21 ' H ' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -77.13 151.54 35.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.028 -179.351 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.567 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -55.19 -52.91 61.84 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.088 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.02 -22.39 5.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.832 179.795 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.662 ' HG3' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -79.85 -49.45 11.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.254 179.51 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.662 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 5.4 pt-20 -63.7 -27.99 69.59 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 178.526 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.06 -34.17 43.96 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 114.684 -1.144 . . . . 0.0 110.356 179.313 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.705 ' HD2' ' HE ' ' A' ' 8' ' ' ARG . 2.4 ttpt -60.46 -35.39 75.76 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.238 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.542 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 2.6 m -78.24 -37.68 44.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.103 -179.587 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.55 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -77.03 -31.87 56.62 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.104 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.442 ' OG1' HD21 ' A' ' 27' ' ' LEU . 68.4 p -85.46 -37.6 19.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.674 -179.6 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.545 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -85.19 -43.51 13.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.152 0.501 . . . . 0.0 110.41 -179.899 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.546 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -110.1 161.57 23.88 Favored Pre-proline 0 C--N 1.333 -0.143 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.561 -177.915 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -74.81 -67.35 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 122.104 1.869 . . . . 0.0 113.235 -179.754 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.535 ' O ' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -178.73 -135.96 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.935 0.398 . . . . 0.0 111.47 -178.548 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.405 ' O ' ' HA ' ' A' ' 47' ' ' CYS . . . 69.6 76.79 0.47 Allowed Glycine 0 C--N 1.336 0.579 0 N-CA-C 111.612 -0.595 . . . . 0.0 111.612 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 58.4 24.7 12.02 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -178.597 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.545 ' O ' ' HE3' ' A' ' 25' ' ' LYS . 7.6 t -98.98 125.45 44.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.591 -179.411 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.432 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 9.9 t 177.35 -131.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.17 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.465 ' HA ' ' OE2' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -98.05 129.25 44.9 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.955 -0.465 . . . . 0.0 110.77 179.959 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.476 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.1 OUTLIER -144.71 120.0 10.22 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.024 -179.717 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.503 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 24.9 t0 -135.05 155.51 50.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.629 179.919 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.6 t -99.92 -68.78 0.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.798 179.763 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.6 46.87 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.671 179.838 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.4 mtp -149.96 161.8 41.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.923 -179.825 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -59.52 -30.73 68.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.48 139.45 35.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.312 0.577 . . . . 0.0 111.399 179.863 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.639 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 7.1 p-80 -151.04 -173.04 4.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.466 -179.732 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.542 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 91.6 p -154.09 -148.79 0.26 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 177.524 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.446 ' SG ' ' HE2' ' A' ' 28' ' ' TYR . 2.4 m -108.46 174.44 5.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.745 0.307 . . . . 0.0 111.411 -179.873 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -142.59 39.3 1.53 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.287 -179.8 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.661 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -57.9 -22.05 46.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.6 0.714 . . . . 0.0 110.508 179.223 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.698 ' N ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -146.44 142.53 28.23 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.661 -179.288 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.45 87.23 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.848 -179.91 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 27.5 p . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.806 -179.756 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.467 ' HD3' ' HD3' ' A' ' 29' ' ' PRO . 6.1 ptm180 . . . . . 0 C--O 1.233 0.214 0 CA-C-O 120.544 0.211 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.692 ' HA ' ' SG ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -44.0 135.31 4.26 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.71 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.569 ' HA ' ' NZ ' ' A' ' 12' ' ' LYS . 12.0 p 56.31 130.04 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 178.944 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.461 ' H ' ' HZ3' ' A' ' 12' ' ' LYS . 11.1 ttt-85 -101.15 31.26 3.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.293 -0.867 . . . . 0.0 108.67 178.258 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.2 5.99 4.98 Favored Glycine 0 N--CA 1.444 -0.778 0 CA-C-N 114.439 -1.255 . . . . 0.0 110.428 -178.29 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.451 ' CZ ' HG23 ' A' ' 7' ' ' THR . 2.7 m-85 61.52 76.19 0.38 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.298 -0.451 . . . . 0.0 110.86 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.564 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -156.39 76.71 0.91 Allowed 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 -179.636 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.769 ' HG3' ' HE2' ' A' ' 23' ' ' LYS . 9.1 mptt -124.79 146.99 48.95 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 177.648 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.3 156.08 43.59 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -177.744 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.453 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 105.9 37.21 2.59 Favored Glycine 0 C--N 1.337 0.625 0 CA-C-N 115.295 -0.866 . . . . 0.0 113.137 179.468 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.517 ' N ' ' CE1' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 35.84 85.6 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.85 0.357 . . . . 0.0 111.243 -179.421 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.436 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 50.53 51.97 15.78 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.438 0.637 . . . . 0.0 109.927 -178.61 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.577 ' H ' ' HE2' ' A' ' 43' ' ' HIS . 0.9 OUTLIER -77.12 154.98 32.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.098 -0.956 . . . . 0.0 111.014 -179.543 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.591 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 2.9 m -53.23 -56.61 15.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.824 179.538 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.73 -26.09 3.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.048 -179.83 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.637 ' HB3' ' HB3' ' A' ' 12' ' ' LYS . 5.0 mm-40 -81.86 -49.26 10.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.455 179.815 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.591 ' HG2' ' HA ' ' A' ' 18' ' ' THR . 5.4 pt-20 -60.42 -24.98 65.6 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.08 -1.082 . . . . 0.0 108.08 178.128 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.16 -53.88 9.88 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 114.613 -1.176 . . . . 0.0 109.048 178.291 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.769 ' HE2' ' HG3' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -42.61 -37.89 1.83 Allowed 'General case' 0 C--O 1.224 -0.27 0 CA-C-O 121.204 0.526 . . . . 0.0 110.177 178.573 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.586 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 2.8 m -72.34 -43.88 63.44 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -179.455 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.458 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -80.4 -50.85 9.55 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -178.485 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 p -69.25 -39.04 78.7 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.944 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.66 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -85.59 -42.65 14.17 Favored 'General case' 0 C--O 1.231 0.1 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.746 -179.268 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.586 ' CD2' ' HA ' ' A' ' 24' ' ' CYS . 0.2 OUTLIER -110.53 158.55 35.14 Favored Pre-proline 0 N--CA 1.461 0.113 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.418 -178.002 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.467 ' HD3' ' HD3' ' A' ' 5' ' ' ARG . 44.2 Cg_endo -71.15 -70.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.099 1.866 . . . . 0.0 112.791 179.809 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.443 ' O ' ' HB2' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -179.29 -136.86 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.866 0.365 . . . . 0.0 111.377 -178.965 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 47' ' ' CYS . . . 72.24 79.34 0.45 Allowed Glycine 0 C--N 1.337 0.594 0 N-CA-C 111.516 -0.634 . . . . 0.0 111.516 -179.914 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 57.53 24.18 10.04 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 -178.572 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.504 ' HB2' ' HB3' ' A' ' 47' ' ' CYS . 8.7 t -98.71 126.29 44.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.825 -179.286 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.41 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 14.6 t -179.27 -150.5 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.113 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -97.81 123.01 41.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.137 0.494 . . . . 0.0 110.907 -179.656 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.531 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 22.8 t -142.95 130.68 21.44 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.372 -179.237 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -127.14 144.29 51.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.318 179.64 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.03 3.92 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.253 -179.664 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.52 -82.3 0.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.346 -179.704 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.0 -148.67 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.438 -179.619 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -51.73 -19.96 1.88 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.163 179.839 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.8 140.2 34.35 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.4 0.619 . . . . 0.0 111.5 179.895 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.682 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 6.7 p-80 -151.12 -173.59 4.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.801 -179.642 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.602 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 88.0 p -154.88 -153.96 0.48 Allowed 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.07 -0.252 . . . . 0.0 110.622 177.852 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.435 ' SG ' ' HE2' ' A' ' 12' ' ' LYS . 3.0 m -116.13 146.21 42.44 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.52 179.438 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -115.63 48.11 1.25 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.844 0.354 . . . . 0.0 111.487 -179.393 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.692 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -63.07 -22.82 67.12 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-O 121.743 0.782 . . . . 0.0 110.274 179.148 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? -150.6 151.91 33.28 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.03 -179.093 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 t -68.06 76.77 0.23 Allowed 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.661 179.59 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.138 -0.934 . . . . 0.0 110.964 -179.803 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 . . . . . 0 N--CA 1.463 0.2 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.779 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 7.5 p -62.8 134.93 57.0 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.966 179.325 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.471 ' HA ' ' HZ3' ' A' ' 12' ' ' LYS . 1.5 p 57.33 139.88 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 178.368 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.759 ' HD2' ' HB3' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -104.88 25.12 10.85 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.844 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 141.58 -1.17 1.79 Allowed Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 114.203 -1.362 . . . . 0.0 110.694 -178.495 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.547 ' HA ' ' HZ1' ' A' ' 12' ' ' LYS . 2.0 t80 57.52 84.43 0.1 Allowed 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.475 -0.362 . . . . 0.0 111.054 179.947 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.822 ' HD3' ' HE2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -166.55 57.5 0.09 Allowed 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 179.875 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.68 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 3.8 mptt -99.77 155.52 17.59 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 177.672 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.568 ' HB3' HG22 ' A' ' 42' ' ' THR . 0.2 OUTLIER -150.31 156.63 41.89 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -177.839 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.462 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 110.89 37.09 1.75 Allowed Glycine 0 C--N 1.337 0.636 0 CA-C-N 115.51 -0.768 . . . . 0.0 113.176 179.25 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.478 ' N ' ' HE1' ' A' ' 43' ' ' HIS . 0.0 OUTLIER 32.35 82.04 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.803 0.335 . . . . 0.0 111.155 -179.564 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.414 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 1.9 t 56.31 53.43 8.82 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.26 0.552 . . . . 0.0 110.13 -178.712 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.55 ' H ' ' HE2' ' A' ' 43' ' ' HIS . 0.9 OUTLIER -83.22 151.49 25.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.672 -179.761 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.619 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 2.7 m -51.69 -57.67 8.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.758 179.648 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.32 -26.33 1.23 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.406 -179.789 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.536 ' HG2' ' HB ' ' A' ' 17' ' ' THR . 4.1 mm-40 -81.32 -51.99 7.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.658 179.82 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.619 ' HG2' ' O ' ' A' ' 18' ' ' THR . 9.8 pt-20 -57.86 -27.07 62.91 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 178.03 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.61 -54.3 10.87 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 114.426 -1.261 . . . . 0.0 109.295 178.5 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.822 ' HE2' ' HD3' ' A' ' 11' ' ' ARG . 26.7 tttp -42.68 -34.5 0.91 Allowed 'General case' 0 CA--C 1.522 -0.101 0 CA-C-O 121.607 0.717 . . . . 0.0 109.595 178.444 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.619 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 3.9 m -67.95 -54.29 19.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.961 179.77 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.481 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -75.83 -56.11 4.98 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.907 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.511 ' OG1' HD22 ' A' ' 27' ' ' LEU . 21.8 p -56.76 -48.6 77.49 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -179.064 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.759 ' HB3' ' HD2' ' A' ' 8' ' ' ARG . 0.7 OUTLIER -85.9 -40.89 15.45 Favored 'General case' 0 C--O 1.231 0.104 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -178.677 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.619 ' CD2' ' HA ' ' A' ' 24' ' ' CYS . 0.3 OUTLIER -109.83 156.24 40.18 Favored Pre-proline 0 C--N 1.333 -0.134 0 CA-C-O 120.925 0.393 . . . . 0.0 111.73 -176.855 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.78 -74.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.762 2.308 . . . . 0.0 112.755 179.877 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.525 ' O ' ' HB3' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -178.17 -135.15 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 121.06 0.457 . . . . 0.0 112.221 -178.763 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.72 69.11 1.46 Allowed Glycine 0 C--N 1.334 0.455 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -179.348 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 62.82 29.19 16.65 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 -177.934 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 30' ' ' ARG . 18.6 t -97.71 117.41 31.95 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.25 -179.433 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.489 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 13.5 t -177.43 -140.46 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.714 -179.667 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.25 122.92 39.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 121.695 -0.628 . . . . 0.0 111.257 -179.584 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.4 t -137.67 119.16 14.84 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.139 179.822 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.438 ' CG ' ' HB3' ' A' ' 43' ' ' HIS . 7.5 t0 -129.85 138.77 51.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.973 -179.587 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.43 0.79 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.804 179.878 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -108.87 -85.05 0.54 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.221 -179.77 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.0 ttm -143.84 -145.77 0.18 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.697 -179.757 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -58.11 -15.13 8.41 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.428 -179.827 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.568 HG22 ' HB3' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -99.52 141.57 32.14 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.311 0.577 . . . . 0.0 111.266 179.73 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.68 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.3 p-80 -150.8 -176.53 5.56 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.378 -179.712 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.441 ' HB2' ' NZ ' ' A' ' 12' ' ' LYS . 59.5 p -153.79 -154.14 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 177.894 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 2.8 m -123.75 132.94 53.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.665 0.269 . . . . 0.0 110.765 179.885 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -99.98 56.14 0.95 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.073 0.463 . . . . 0.0 111.2 -179.67 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.766 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 0.8 OUTLIER -62.06 -17.75 58.5 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.172 179.788 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.779 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 1.8 mttt -147.64 159.24 43.99 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.681 -179.238 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.8 74.83 0.61 Allowed 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.661 179.843 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.9 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.6 m120 . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.694 0.283 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.67 166.49 0.12 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.447 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.753 ' HA ' ' HD2' ' A' ' 48' ' ' LYS . 2.1 mmt 57.16 88.6 0.05 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.224 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.71 ' HD2' ' HB2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -101.33 -88.5 0.37 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.747 179.707 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.7 mtm105 -175.69 32.17 0.0 OUTLIER 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.195 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.747 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 25.1 p -45.93 115.71 1.04 Allowed 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.642 0.258 . . . . 0.0 111.173 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.62 HG21 ' H ' ' A' ' 45' ' ' CYS . 0.6 OUTLIER 58.19 161.13 0.03 OUTLIER 'General case' 0 C--O 1.231 0.104 0 CA-C-O 121.334 0.588 . . . . 0.0 111.976 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.546 ' H ' ' NZ ' ' A' ' 12' ' ' LYS . 7.8 mtp85 -107.62 30.65 6.09 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.33 18.77 5.29 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.165 -178.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 62.29 90.61 0.07 Allowed 'General case' 0 C--O 1.231 0.107 0 CA-C-N 115.679 -0.261 . . . . 0.0 110.529 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.474 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -159.85 53.78 0.36 Allowed 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -179.674 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.826 ' HE3' ' HG2' ' A' ' 23' ' ' LYS . 8.7 mptt -114.4 158.43 21.54 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.418 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -150.24 156.1 40.94 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -178.465 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.489 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 100.53 49.68 1.38 Allowed Glycine 0 C--N 1.338 0.674 0 CA-C-N 115.22 -0.9 . . . . 0.0 113.583 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.494 ' N ' ' CE1' ' A' ' 43' ' ' HIS . 0.9 OUTLIER 29.19 82.94 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.497 0.319 . . . . 0.0 111.475 -179.889 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.433 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 49.55 51.15 16.97 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.428 0.632 . . . . 0.0 109.921 -178.738 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.522 HG23 ' H ' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -67.63 154.67 40.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.185 -179.474 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.546 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.1 m -54.6 -51.83 64.1 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.14 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.43 HD13 ' O ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -54.7 -25.47 27.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.39 179.759 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.679 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -78.3 -45.89 21.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.225 179.454 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.595 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 2.4 pt-20 -67.84 -25.84 65.75 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 178.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.96 -36.16 49.47 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.603 178.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.826 ' HG2' ' HE3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -56.77 -48.0 78.85 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.678 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.685 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 3.9 m -69.23 -33.78 73.81 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.096 -0.956 . . . . 0.0 112.307 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.524 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -80.3 -69.15 0.61 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -178.864 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.533 ' OG1' HD12 ' A' ' 27' ' ' LEU . 23.4 p -50.68 -40.7 54.44 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -179.076 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.636 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.6 mp -85.56 -38.94 17.93 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 120.591 -0.443 . . . . 0.0 112.014 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.51 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -113.05 112.16 50.17 Favored Pre-proline 0 CA--C 1.53 0.199 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.431 -178.591 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -82.5 67.43 7.97 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.554 2.169 . . . . 0.0 111.49 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.715 ' HD3' ' H ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -108.93 169.69 8.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.339 0.59 . . . . 0.0 112.09 -178.88 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.715 ' H ' ' HD3' ' A' ' 30' ' ' ARG . . . -108.17 -19.57 8.89 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.944 178.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -112.36 15.55 20.27 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.222 0.534 . . . . 0.0 110.167 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.685 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 12.0 t -99.75 150.79 21.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.402 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.483 ' HB ' ' O ' ' A' ' 33' ' ' CYS . 6.9 t 177.76 -152.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.985 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -98.01 129.39 44.88 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-O 120.987 0.422 . . . . 0.0 110.658 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.564 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 3.1 p -136.57 125.49 24.21 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.299 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.451 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 26.0 t70 -135.04 159.3 41.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.454 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.89 -74.57 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.712 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -168.96 43.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.687 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 34.9 mtt -139.77 -168.83 2.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.86 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -88.04 -18.29 29.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.953 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.08 141.35 48.12 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.434 0.635 . . . . 0.0 111.672 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.618 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 5.0 p-80 -151.51 -171.28 3.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.274 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.509 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 93.2 p -154.32 -151.23 0.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.979 177.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.62 ' H ' HG21 ' A' ' 7' ' ' THR . 22.0 m -100.08 175.53 5.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.889 0.376 . . . . 0.0 111.757 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -150.69 36.58 0.64 Allowed 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.607 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.583 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -59.85 -24.04 63.89 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 121.302 0.572 . . . . 0.0 110.036 179.193 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.753 ' HD2' ' HA ' ' A' ' 3' ' ' MET . 0.2 OUTLIER -139.46 129.48 25.03 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.522 -179.611 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.8 t -51.05 90.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.666 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.408 ' N ' ' O ' ' A' ' 48' ' ' LYS . 20.7 p . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.858 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.789 0.328 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.29 -36.87 5.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.3 148.94 24.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.973 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.456 ' HD2' ' HG3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -117.42 -166.66 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.615 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -144.35 81.96 1.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.828 0.347 . . . . 0.0 111.174 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.722 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 5.4 p -49.58 132.06 21.24 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.949 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.67 ' H ' ' HB2' ' A' ' 45' ' ' CYS . 0.2 OUTLIER 58.7 157.25 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.287 0.565 . . . . 0.0 112.227 179.477 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -100.25 32.55 2.96 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.32 20.62 6.95 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.021 -178.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.433 ' HD1' ' OG ' ' A' ' 44' ' ' SER . 70.1 t80 63.44 91.69 0.07 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.609 -0.295 . . . . 0.0 110.687 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.58 50.6 0.23 Allowed 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.708 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -113.0 157.35 21.63 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 178.088 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.431 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -150.02 155.72 40.41 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -178.188 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.497 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 103.1 46.22 1.49 Allowed Glycine 0 C--N 1.338 0.677 0 CA-C-N 115.231 -0.895 . . . . 0.0 113.442 179.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.51 ' N ' ' CE1' ' A' ' 43' ' ' HIS . 0.0 OUTLIER 31.23 83.14 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.511 0.324 . . . . 0.0 111.168 -179.662 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.427 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 49.42 50.91 17.34 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 121.514 0.673 . . . . 0.0 109.517 -178.479 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.563 HG23 ' H ' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -69.07 156.8 38.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.378 -179.092 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.52 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.1 m -55.25 -53.32 57.59 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.128 179.239 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.21 -25.99 16.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.608 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.708 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -79.27 -46.38 17.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.516 179.698 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.616 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 4.7 pt-20 -66.07 -26.15 67.36 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.62 -40.38 34.57 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.875 179.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.614 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -52.33 -45.81 65.8 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 121.359 0.6 . . . . 0.0 109.77 178.911 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.613 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 11.0 m -66.34 -51.25 59.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.541 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.12 -65.61 0.7 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -178.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.504 ' OG1' HD11 ' A' ' 27' ' ' LEU . 26.6 p -47.53 -43.74 25.17 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -178.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.614 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.1 mp -85.29 -38.73 18.5 Favored 'General case' 0 C--O 1.231 0.113 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.726 -179.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.496 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -112.72 113.29 50.34 Favored Pre-proline 0 C--N 1.331 -0.21 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.994 -178.765 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -78.42 65.15 8.57 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.615 2.21 . . . . 0.0 111.109 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.618 ' HG3' ' HB3' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -104.28 170.65 7.78 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.373 0.606 . . . . 0.0 112.167 -178.799 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.563 ' H ' ' HD3' ' A' ' 30' ' ' ARG . . . -117.13 -17.17 5.88 Favored Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.089 -0.959 . . . . 0.0 111.013 178.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.436 ' HG2' HH11 ' A' ' 30' ' ' ARG . 0.3 OUTLIER -112.73 12.19 19.6 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.117 0.484 . . . . 0.0 110.29 179.411 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.613 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 9.3 t -99.83 158.34 15.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.249 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.519 ' HB ' ' O ' ' A' ' 33' ' ' CYS . 9.3 t 175.83 -152.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.718 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.4 p -97.73 124.84 42.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.186 0.517 . . . . 0.0 110.793 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.567 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 12.1 p -129.05 124.63 35.37 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.299 -179.048 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.405 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 19.4 t70 -134.98 156.96 48.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.279 179.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.63 -72.6 0.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.947 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.5 pttm -168.5 43.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.705 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 54.7 mtm -143.52 -179.4 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -78.17 -18.98 54.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.045 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.424 HG21 ' HB3' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -112.96 140.88 47.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.45 0.643 . . . . 0.0 111.739 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.604 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 4.7 p-80 -151.57 -171.52 3.96 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.076 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.548 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 82.0 p -153.99 -149.66 0.29 Allowed 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.957 177.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.67 ' HB2' ' H ' ' A' ' 7' ' ' THR . 58.6 m -99.77 175.92 5.63 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.024 0.44 . . . . 0.0 111.613 -179.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -151.05 39.39 0.68 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.611 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.618 ' HB3' ' HG3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -59.45 -23.93 63.11 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.295 0.569 . . . . 0.0 110.0 179.249 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.722 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.4 OUTLIER -135.69 133.33 37.99 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.363 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.6 t -43.35 93.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.09 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' A' ' 48' ' ' LYS . 29.6 p . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.891 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.861 0.362 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -159.04 -80.08 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.95 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.7 mtt -139.02 -168.62 2.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.745 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.953 ' HG3' ' HB2' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -117.55 -30.31 5.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.091 0.472 . . . . 0.0 109.944 179.694 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.474 ' N ' ' HG2' ' A' ' 4' ' ' LYS . 11.3 ttt-85 64.9 73.45 0.42 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.881 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.755 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 2.0 p -47.47 129.8 13.42 Favored 'General case' 0 N--CA 1.461 0.1 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.16 178.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.609 HG21 ' H ' ' A' ' 45' ' ' CYS . 0.6 OUTLIER 58.61 168.87 0.06 Allowed 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.238 0.542 . . . . 0.0 111.509 -179.775 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.553 ' H ' ' HZ2' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -109.22 34.32 3.81 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.733 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.07 21.15 7.54 Favored Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.265 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.405 ' HD1' ' OG ' ' A' ' 44' ' ' SER . 71.6 t80 64.03 91.51 0.07 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.671 -0.265 . . . . 0.0 110.542 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.43 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -161.82 51.43 0.22 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.789 ' HG3' ' HE2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -112.66 157.54 21.12 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 177.906 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.42 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.3 OUTLIER -149.94 156.41 41.69 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -177.837 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.489 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 102.02 50.06 1.19 Allowed Glycine 0 C--N 1.339 0.695 0 CA-C-N 115.238 -0.892 . . . . 0.0 113.445 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 14' ' ' GLY . 12.1 mttt 23.27 82.9 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 122.774 0.43 . . . . 0.0 111.366 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.416 ' H ' ' NE2' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 53.81 57.25 6.21 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.515 0.674 . . . . 0.0 109.651 -178.308 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.596 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -76.79 157.6 31.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.404 -179.059 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.573 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -55.8 -57.56 11.5 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.94 178.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.28 -22.76 4.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.608 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.596 ' H ' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -77.78 -51.06 11.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.448 179.717 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.581 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 5.7 pt-20 -64.92 -26.73 68.43 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.032 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.02 -36.13 41.6 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.062 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.789 ' HE2' ' HG3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -55.97 -47.37 77.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.4 0.619 . . . . 0.0 109.426 178.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.662 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 3.6 m -69.43 -37.95 77.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.091 -0.958 . . . . 0.0 112.422 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.511 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -76.92 -67.67 0.68 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -178.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.489 ' OG1' HD11 ' A' ' 27' ' ' LEU . 30.8 p -51.31 -41.34 60.44 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -178.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.623 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.9 mp -85.36 -39.11 17.99 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.828 -179.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.515 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.3 OUTLIER -111.82 111.3 54.09 Favored Pre-proline 0 CA--C 1.529 0.173 0 C-N-CA 120.879 -0.329 . . . . 0.0 111.302 -178.599 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -80.44 65.76 8.88 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.431 2.087 . . . . 0.0 111.554 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.407 ' CB ' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -109.42 166.07 11.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.25 0.547 . . . . 0.0 112.146 -178.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -106.85 -17.92 11.3 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.907 178.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -112.62 15.06 20.15 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.061 0.458 . . . . 0.0 110.255 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.662 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 15.3 t -99.71 154.02 18.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.27 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.528 ' HB ' ' O ' ' A' ' 33' ' ' CYS . 7.3 t 175.22 -151.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.771 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -97.54 131.68 43.92 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.984 0.421 . . . . 0.0 111.026 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.421 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 30.7 t -134.57 125.59 27.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.78 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.401 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 23.4 t0 -135.14 156.39 49.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.821 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.8 t -103.65 -71.21 0.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -169.61 40.87 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.757 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.0 mtt -143.65 159.6 42.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -57.04 -27.53 61.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.16 141.53 34.85 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.419 0.628 . . . . 0.0 111.641 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.625 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 4.3 p-80 -151.21 -173.0 4.36 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.032 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.555 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 96.5 p -153.63 -152.96 0.44 Allowed 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.778 177.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.609 ' H ' HG21 ' A' ' 7' ' ' THR . 28.8 m -99.8 174.63 6.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.068 0.461 . . . . 0.0 111.979 -179.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -151.08 49.63 0.84 Allowed 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.306 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.953 ' HB2' ' HG3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -73.29 -21.42 60.59 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 121.381 0.61 . . . . 0.0 109.765 179.14 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.755 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 2.0 tmtt? -131.5 132.97 44.63 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.155 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 t -48.11 89.1 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.629 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 48' ' ' LYS . 28.3 p . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.222 -0.894 . . . . 0.0 111.05 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.6 t30 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.85 0.357 . . . . 0.0 111.276 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.52 HD22 ' HE1' ' A' ' 3' ' ' MET . 9.6 tp -129.55 -41.83 1.34 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.976 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.52 ' HE1' HD22 ' A' ' 2' ' ' LEU . 7.4 mtt -123.39 -82.9 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.741 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.572 ' HB2' ' HB2' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -135.21 -34.26 0.87 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.259 179.722 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 56.63 77.26 0.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.451 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.562 ' HA ' ' SG ' ' A' ' 47' ' ' CYS . 27.1 p -44.67 135.71 4.79 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.05 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.72 HG21 ' H ' ' A' ' 45' ' ' CYS . 0.6 OUTLIER 57.43 173.57 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.27 0.557 . . . . 0.0 112.228 179.253 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.532 ' HD3' HD21 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -115.17 27.99 9.0 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.079 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.0 16.23 3.65 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 114.516 -1.22 . . . . 0.0 110.977 -178.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.1 t80 64.26 92.72 0.07 Allowed 'General case' 0 C--O 1.231 0.107 0 CA-C-N 115.639 -0.28 . . . . 0.0 110.742 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.483 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -162.02 51.96 0.22 Allowed 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -179.834 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.74 ' HE3' ' HG2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -111.67 155.26 23.7 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 177.81 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.462 ' HB3' HG23 ' A' ' 42' ' ' THR . 0.0 OUTLIER -150.26 155.97 40.69 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 -177.779 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.603 ' HA3' ' HG1' ' A' ' 17' ' ' THR . . . 104.73 46.28 1.31 Allowed Glycine 0 C--N 1.338 0.65 0 CA-C-N 115.267 -0.879 . . . . 0.0 113.403 179.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.495 ' N ' ' HE1' ' A' ' 43' ' ' HIS . 2.7 mttt 30.31 84.16 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 122.56 0.344 . . . . 0.0 111.311 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER 50.65 51.42 16.96 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-O 121.535 0.684 . . . . 0.0 109.701 -178.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.603 ' HG1' ' HA3' ' A' ' 14' ' ' GLY . 0.7 OUTLIER -71.25 155.75 40.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.131 -179.234 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.552 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.5 m -53.99 -56.6 16.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.966 179.19 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.22 -25.15 3.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.962 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.662 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -77.46 -51.58 10.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.587 179.798 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.606 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 9.3 pt-20 -64.59 -28.03 69.35 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.69 -35.33 57.96 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.851 179.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.74 ' HG2' ' HE3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -56.37 -51.16 69.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.419 0.628 . . . . 0.0 109.328 178.822 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.451 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 2.8 m -68.44 -31.08 70.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.088 -0.96 . . . . 0.0 112.191 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.53 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -81.15 -71.45 0.47 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.038 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.554 ' HG1' HD12 ' A' ' 27' ' ' LEU . 47.8 p -47.79 -39.78 19.11 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -179.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.593 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.5 mp -85.52 -37.95 19.09 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 120.683 -0.407 . . . . 0.0 112.069 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.509 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -114.28 115.39 45.03 Favored Pre-proline 0 CA--C 1.529 0.157 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.277 -178.72 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -83.82 65.38 7.29 Favored 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.448 2.099 . . . . 0.0 111.095 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.568 ' HD3' ' H ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -114.54 179.06 4.06 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.404 0.621 . . . . 0.0 112.417 -178.53 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.568 ' H ' ' HD3' ' A' ' 30' ' ' ARG . . . -119.05 -34.51 1.03 Allowed Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.272 178.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.52 11.24 27.05 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.296 0.57 . . . . 0.0 109.986 179.013 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.509 ' SG ' ' HD2' ' A' ' 28' ' ' TYR . 36.5 t -105.89 148.13 27.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.367 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.474 ' HB ' ' O ' ' A' ' 33' ' ' CYS . 13.2 t 178.21 -146.23 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.97 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.474 ' H ' ' HG1' ' A' ' 34' ' ' THR . 0.2 OUTLIER -97.39 139.79 32.82 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.092 0.472 . . . . 0.0 111.297 -179.484 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.0 109.11 5.76 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.589 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.466 ' HA ' ' HB3' ' A' ' 43' ' ' HIS . 2.4 p-10 -115.83 165.27 13.27 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.201 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 p -110.05 -87.59 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.775 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.85 59.72 0.03 OUTLIER 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.931 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -148.01 -85.66 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -169.58 -33.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.414 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.462 HG23 ' HB3' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -99.54 140.38 33.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.276 0.56 . . . . 0.0 111.044 179.682 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.645 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 5.9 p-80 -150.79 -176.94 5.71 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.343 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.604 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 94.1 p -153.62 -155.13 0.57 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.098 178.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.72 ' H ' HG21 ' A' ' 7' ' ' THR . 9.7 m -99.45 171.2 8.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.91 0.386 . . . . 0.0 111.63 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -150.62 47.9 0.88 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.241 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.572 ' HB2' ' HB2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -60.96 -26.68 67.72 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 121.415 0.626 . . . . 0.0 109.909 179.062 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.511 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -141.87 124.87 16.21 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.461 179.798 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 t -34.72 96.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.74 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.726 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.712 0.291 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.504 HD21 ' HD3' ' A' ' 48' ' ' LYS . 0.8 OUTLIER 57.19 90.08 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.963 179.865 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.598 ' H ' ' HE2' ' A' ' 4' ' ' LYS . 2.6 ttt -152.79 30.72 0.51 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.07 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.598 ' HE2' ' H ' ' A' ' 3' ' ' MET . 0.0 OUTLIER -122.22 -157.46 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.525 179.705 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -161.81 85.16 0.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.744 0.307 . . . . 0.0 111.178 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.789 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 11.1 p -55.92 121.0 8.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.488 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.438 HG23 ' H ' ' A' ' 45' ' ' CYS . 1.1 p 63.68 128.81 0.01 OUTLIER 'General case' 0 C--O 1.23 0.069 0 CA-C-O 121.18 0.514 . . . . 0.0 111.259 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.819 ' HD2' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.01 36.39 1.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.303 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 127.22 5.92 5.46 Favored Glycine 0 N--CA 1.444 -0.803 0 CA-C-N 114.748 -1.115 . . . . 0.0 110.973 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.417 ' HD1' ' HB3' ' A' ' 44' ' ' SER . 19.3 t80 56.53 88.88 0.05 OUTLIER 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 115.655 -0.272 . . . . 0.0 110.345 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.495 ' HB3' HH11 ' A' ' 11' ' ' ARG . 0.0 OUTLIER -163.83 52.75 0.15 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -179.745 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.732 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -109.04 157.45 18.69 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 176.916 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.461 ' HB3' HG22 ' A' ' 42' ' ' THR . 0.5 OUTLIER -150.51 159.14 44.7 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -177.572 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.467 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 102.96 44.81 1.7 Allowed Glycine 0 C--N 1.336 0.577 0 CA-C-N 115.223 -0.899 . . . . 0.0 113.596 178.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.458 ' N ' ' CE1' ' A' ' 43' ' ' HIS . 1.5 mttt 27.06 84.02 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 122.573 0.349 . . . . 0.0 111.413 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t 55.19 51.36 13.36 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.385 0.612 . . . . 0.0 109.789 -178.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.457 ' HB ' ' O ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -76.57 153.91 34.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.278 -179.31 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.514 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -54.32 -52.79 60.4 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.076 179.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.21 -26.74 4.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.853 179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.59 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -78.34 -50.86 11.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.489 179.766 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.571 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 4.5 pt-20 -63.85 -23.31 67.3 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.17 -36.69 24.52 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.073 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.484 ' HG2' ' NH2' ' A' ' 8' ' ' ARG . 0.1 OUTLIER -53.67 -43.19 68.66 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.345 0.593 . . . . 0.0 109.501 178.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.2 m -76.66 -42.35 42.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.139 -0.937 . . . . 0.0 112.171 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.544 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -65.85 -28.11 68.73 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 -178.562 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.2 p -85.65 -34.27 21.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.735 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.819 HD22 ' HD2' ' A' ' 8' ' ' ARG . 0.5 OUTLIER -85.15 -46.49 11.05 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -178.885 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.594 ' HE2' HH11 ' A' ' 8' ' ' ARG . 1.4 m-85 -133.16 112.84 13.32 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.458 -178.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -79.87 69.6 7.87 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.799 2.332 . . . . 0.0 111.635 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.632 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 11.6 mmm180 -110.8 -172.09 1.96 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.492 -179.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -105.72 -29.11 5.12 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.394 179.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.422 ' C ' ' HA ' ' A' ' 47' ' ' CYS . 2.4 mt-30 -105.31 9.47 33.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.295 0.569 . . . . 0.0 110.332 179.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.632 ' HB2' ' HB2' ' A' ' 30' ' ' ARG . 4.6 t -99.72 74.76 1.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.842 179.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.9 t -131.81 -132.63 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.116 -178.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -98.17 131.71 44.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.03 0.443 . . . . 0.0 111.064 -179.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.2 t -137.68 111.84 8.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.775 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.476 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 38.8 t70 -129.75 158.54 39.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.881 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.5 t -105.82 -67.67 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.831 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.73 47.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.44 -177.79 5.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.805 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -79.12 -31.68 44.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.732 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.461 HG22 ' HB3' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -99.84 143.73 29.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.355 0.598 . . . . 0.0 111.443 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.621 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 2.8 p-80 -151.22 -178.47 6.66 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.374 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.504 ' HA ' ' CD ' ' A' ' 12' ' ' LYS . 80.4 p -152.43 -150.15 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.937 177.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.491 ' HB2' HH12 ' A' ' 8' ' ' ARG . 0.1 OUTLIER -101.95 176.15 5.3 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -178.511 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -150.94 30.28 0.64 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.249 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.598 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -50.23 -27.49 6.07 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.477 0.656 . . . . 0.0 110.268 179.564 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.789 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -133.77 138.59 45.82 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.655 -179.746 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.25 94.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.971 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 28.1 p . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.879 -179.832 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 6.1 m120 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.763 0.316 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -99.29 160.85 13.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.983 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.583 ' HB3' ' HE2' ' A' ' 4' ' ' LYS . 6.3 ttt -149.88 -54.99 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.575 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.669 ' HB3' ' HE ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -131.75 -171.92 2.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.604 179.73 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -157.56 98.38 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.092 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.794 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 19.0 p -51.3 139.89 18.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.896 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.861 ' H ' ' HB2' ' A' ' 45' ' ' CYS . 0.4 OUTLIER 53.14 -172.16 0.04 OUTLIER 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 121.421 0.629 . . . . 0.0 111.675 179.6 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.678 ' HD2' HD21 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -145.35 32.54 1.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.243 -0.889 . . . . 0.0 108.797 179.257 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.81 8.62 5.13 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 114.543 -1.208 . . . . 0.0 110.652 -178.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.2 t80 56.38 85.83 0.07 Allowed 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.486 -0.357 . . . . 0.0 110.421 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.463 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -154.51 51.51 0.64 Allowed 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -179.658 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.877 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 5.0 mptt -111.08 159.06 18.15 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 178.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.71 156.49 41.42 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -178.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.493 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 100.37 52.02 1.18 Allowed Glycine 0 C--N 1.338 0.674 0 CA-C-N 115.214 -0.903 . . . . 0.0 113.616 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.495 ' N ' ' HE1' ' A' ' 43' ' ' HIS . 0.2 OUTLIER 26.81 82.27 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.898 0.349 . . . . 0.0 111.604 -179.667 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.412 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 49.91 52.15 15.2 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.311 0.577 . . . . 0.0 110.114 -178.896 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.55 HG23 ' H ' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -70.99 151.45 44.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.263 -0.881 . . . . 0.0 111.266 -179.558 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.538 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.0 OUTLIER -50.56 -51.2 50.27 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 120.891 0.377 . . . . 0.0 110.145 179.3 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.0 tt -48.71 -44.69 38.38 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.415 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.877 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -65.56 -44.59 86.3 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.267 -179.543 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.625 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 5.5 pt-20 -67.48 -23.21 65.46 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.106 0.479 . . . . 0.0 109.808 179.526 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.53 -41.28 24.48 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.298 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.69 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -50.57 -49.37 56.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.579 178.863 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.42 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 4.7 m -66.94 -44.47 80.56 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.067 -0.969 . . . . 0.0 111.507 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.556 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -61.08 -72.06 0.13 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.879 -179.057 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.6 p -48.5 -38.43 20.15 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.69 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -77.76 -33.84 52.6 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.304 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.543 ' CE2' ' HB3' ' A' ' 27' ' ' LEU . 3.5 m-85 -140.86 110.24 6.61 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.206 -178.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -79.44 47.03 2.38 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.614 2.209 . . . . 0.0 111.983 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.669 ' HE ' ' HB3' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -81.94 -177.98 6.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.606 -179.5 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -105.56 -11.28 29.28 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.124 178.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.16 13.99 6.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.011 0.434 . . . . 0.0 110.67 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.514 ' SG ' ' HB2' ' A' ' 28' ' ' TYR . 34.8 t -99.87 65.1 1.29 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.959 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.6 t -111.78 -141.57 0.38 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.895 -179.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -98.53 129.46 45.09 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.09 0.471 . . . . 0.0 111.252 -179.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.514 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.4 OUTLIER -135.87 122.34 20.7 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.676 -179.808 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.447 ' HA ' ' HB3' ' A' ' 43' ' ' HIS . 19.2 t0 -121.34 150.98 40.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.289 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.538 ' O ' ' HB2' ' A' ' 39' ' ' LYS . 14.9 t -99.85 24.08 8.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.263 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.538 ' HB2' ' O ' ' A' ' 38' ' ' SER . 0.1 OUTLIER 74.87 40.69 0.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.735 -179.43 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.9 mmt -138.33 172.57 12.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.444 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 40.9 t-20 -64.67 -32.56 74.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.572 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.53 141.96 39.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.474 0.654 . . . . 0.0 111.296 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.628 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 4.6 p-80 -151.36 -171.49 3.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.967 -1.015 . . . . 0.0 108.994 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.526 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 69.4 p -154.37 -145.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.709 177.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.861 ' HB2' ' H ' ' A' ' 7' ' ' THR . 26.7 m -103.37 178.59 4.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.033 0.444 . . . . 0.0 111.782 -179.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -150.23 37.01 0.68 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.828 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.497 ' HB3' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -57.8 -23.49 52.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.283 179.491 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.794 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -131.13 135.12 47.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.543 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.4 t -52.11 94.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.875 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 24.4 p . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.879 -179.802 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.796 0.331 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -154.41 159.82 41.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.7 mtt -110.56 152.93 25.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.702 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.507 ' HD2' ' HB2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -117.3 -170.52 1.86 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.907 0.384 . . . . 0.0 111.093 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -153.99 87.61 1.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.623 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.428 ' SG ' HG21 ' A' ' 7' ' ' THR . 1.1 p -46.34 134.62 8.76 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.276 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.7 ' H ' ' HB2' ' A' ' 45' ' ' CYS . 0.2 OUTLIER 56.16 170.14 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.333 0.587 . . . . 0.0 112.316 179.469 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.431 ' HD2' ' OH ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -117.97 28.43 8.41 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.315 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.58 18.04 2.78 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 114.62 -1.173 . . . . 0.0 111.296 -178.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 50.7 t80 59.93 95.81 0.03 OUTLIER 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.521 0.2 . . . . 0.0 110.713 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.47 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -164.85 53.28 0.12 Allowed 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 179.893 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.868 ' HE3' ' HG2' ' A' ' 23' ' ' LYS . 8.8 mptt -113.2 157.14 22.09 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 177.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.475 ' HB3' HG22 ' A' ' 42' ' ' THR . 0.1 OUTLIER -149.81 154.69 38.83 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -178.187 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.61 ' HA3' ' HG1' ' A' ' 17' ' ' THR . . . 102.57 47.21 1.42 Allowed Glycine 0 C--N 1.339 0.718 0 CA-C-N 115.15 -0.932 . . . . 0.0 113.5 179.218 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.514 ' N ' ' CE1' ' A' ' 43' ' ' HIS . 0.2 OUTLIER 31.6 83.81 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 122.449 0.3 . . . . 0.0 111.381 -179.79 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.484 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . 0.5 OUTLIER 47.92 49.67 16.67 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.619 0.723 . . . . 0.0 109.573 -178.446 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.61 ' HG1' ' HA3' ' A' ' 14' ' ' GLY . 0.6 OUTLIER -66.77 158.56 30.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.722 -1.126 . . . . 0.0 111.55 -179.184 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.512 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -55.63 -52.41 63.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.987 179.128 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.431 ' H ' HG21 ' A' ' 17' ' ' THR . 0.2 OUTLIER -54.81 -22.69 15.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.393 179.713 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.599 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -80.54 -46.47 15.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.354 179.642 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.583 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 4.9 pt-20 -69.36 -24.5 63.9 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.87 -34.14 45.17 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.481 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.868 ' HG2' ' HE3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -59.1 -49.66 77.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.557 178.909 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.598 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 3.7 m -69.81 -32.01 70.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.316 -0.856 . . . . 0.0 112.196 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.539 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -80.21 -67.14 0.79 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.862 0.363 . . . . 0.0 111.847 -179.097 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.457 ' OG1' HD11 ' A' ' 27' ' ' LEU . 32.7 p -51.65 -38.79 56.42 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.557 0.576 . . . . 0.0 112.557 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.623 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.5 mp -85.34 -35.48 21.4 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.693 -179.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.495 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -116.63 115.07 39.66 Favored Pre-proline 0 C--N 1.332 -0.191 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.052 -179.148 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -82.45 52.35 4.07 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.268 1.978 . . . . 0.0 111.044 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -92.82 -177.13 4.44 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.657 0.741 . . . . 0.0 112.649 -178.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.7 -24.89 1.31 Allowed Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.761 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.78 13.33 33.21 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.171 0.51 . . . . 0.0 109.78 178.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.598 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 12.8 t -104.75 155.29 19.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.376 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.514 ' HB ' ' O ' ' A' ' 33' ' ' CYS . 9.7 t 176.47 -150.99 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.024 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.416 ' HB2' ' CG ' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -98.15 130.81 44.9 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.105 0.479 . . . . 0.0 110.829 -179.601 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.548 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 67.2 m -135.96 122.51 20.83 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.267 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -132.14 157.71 43.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.304 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.42 -75.85 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.965 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -163.78 39.41 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.69 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.16 166.32 24.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.842 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -68.12 -10.59 55.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.915 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.475 HG22 ' HB3' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -120.39 140.99 50.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.434 0.635 . . . . 0.0 111.702 179.765 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.632 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.5 p-80 -151.36 -171.56 3.97 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.038 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.554 ' OG ' HG23 ' A' ' 7' ' ' THR . 80.6 p -154.68 -151.12 0.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.45 -0.5 . . . . 0.0 111.215 177.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.7 ' HB2' ' H ' ' A' ' 7' ' ' THR . 39.2 m -99.68 169.44 9.27 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.856 0.36 . . . . 0.0 111.404 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -150.34 41.84 0.81 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.626 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.551 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -59.23 -26.25 64.72 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 121.465 0.65 . . . . 0.0 109.772 178.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.507 ' HB2' ' HD2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -132.61 136.58 46.62 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.372 -179.816 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.8 86.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.815 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 48' ' ' LYS . 85.1 m . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.873 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.865 0.364 . . . . 0.0 111.301 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.11 153.56 26.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.004 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.9 mtm -93.82 170.46 9.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.809 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.504 ' O ' ' HG2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -113.71 -15.32 12.48 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.727 179.629 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.504 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 35.36 91.85 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.631 179.645 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.8 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 9.3 p -52.17 143.18 14.91 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.608 179.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.4 p 61.76 131.56 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 121.184 0.516 . . . . 0.0 111.586 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.898 ' HD2' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.66 34.04 2.35 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.726 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.99 6.2 2.57 Favored Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 114.515 -1.22 . . . . 0.0 110.879 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.6 t80 53.44 70.5 0.59 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.429 -0.385 . . . . 0.0 110.37 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.716 ' HG3' ' HZ2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -145.94 63.98 1.23 Allowed 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -179.202 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.808 ' HE3' ' HE3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -113.83 157.9 21.71 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 177.802 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.46 158.07 43.74 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 -178.127 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.49 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 97.96 57.95 1.0 Allowed Glycine 0 C--N 1.337 0.629 0 CA-C-N 115.206 -0.906 . . . . 0.0 113.297 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.49 ' C ' ' O ' ' A' ' 14' ' ' GLY . 1.2 mttt 19.48 83.94 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 122.991 0.516 . . . . 0.0 111.895 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.426 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 1.3 t 50.67 59.58 4.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.517 -178.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.522 ' HB ' ' HG2' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -80.32 150.15 30.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.497 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.498 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -52.9 -51.66 60.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.544 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.19 -27.96 6.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.013 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.522 ' HG2' ' HB ' ' A' ' 17' ' ' THR . 6.8 mm-40 -77.74 -49.17 14.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.514 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 3.9 pt-20 -64.53 -27.51 69.02 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.033 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.94 -36.01 42.36 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.516 178.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.808 ' HE3' ' HE3' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -50.88 -57.65 7.96 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.394 178.62 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.66 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 0.6 OUTLIER -67.75 -32.31 72.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.0 179.313 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.514 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -61.68 -73.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.327 -179.366 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.8 p -52.89 -31.86 41.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.948 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.898 HD22 ' HD2' ' A' ' 8' ' ' ARG . 0.2 OUTLIER -77.15 -34.44 56.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.761 0.315 . . . . 0.0 111.694 -179.475 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.55 ' CZ ' HD23 ' A' ' 27' ' ' LEU . 2.1 m-85 -143.13 104.93 5.16 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.669 -178.282 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.418 ' HD2' HH21 ' A' ' 30' ' ' ARG . 4.6 Cg_exo -74.59 76.41 3.23 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.719 2.28 . . . . 0.0 111.497 179.387 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.465 ' HB2' ' CB ' ' A' ' 33' ' ' CYS . 2.5 mmp_? -113.71 -170.02 1.62 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.496 0.665 . . . . 0.0 111.87 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.41 -18.52 8.03 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.56 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.441 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 0.6 OUTLIER -118.1 12.85 13.72 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.029 0.442 . . . . 0.0 110.142 179.257 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.66 ' SG ' ' HB2' ' A' ' 24' ' ' CYS . 32.1 t -99.4 68.39 1.61 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.683 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.0 t -115.26 -150.11 0.46 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.617 -179.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.6 t -98.19 144.51 27.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.021 0.438 . . . . 0.0 111.43 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.448 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -146.65 126.25 13.33 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.998 -179.872 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -131.53 156.86 44.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.468 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 t -99.71 -77.47 0.52 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.056 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.33 42.66 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.619 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 62.4 mtp -144.13 -172.91 3.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -80.27 -27.91 38.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.859 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.85 140.91 37.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.408 0.623 . . . . 0.0 111.564 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.612 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 7.4 p-80 -151.1 -168.99 3.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.107 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.607 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 80.3 p -153.48 -145.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 177.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.544 ' HB2' HH22 ' A' ' 8' ' ' ARG . 84.4 m -130.14 150.97 51.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.926 0.393 . . . . 0.0 111.534 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -113.49 56.57 0.69 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.046 -178.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.643 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 4.2 m -60.53 -26.15 66.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.296 0.57 . . . . 0.0 110.124 178.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.8 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 8.6 tmtt? -131.88 161.25 33.45 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.684 -179.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.27 66.28 1.72 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.667 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.896 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.802 0.335 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.57 172.71 15.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.817 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.2 ptm -96.71 176.47 5.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.653 ' HE3' ' HE ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -109.88 -156.74 0.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.737 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.73 70.04 0.94 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.307 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.758 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 25.9 p -50.98 124.1 10.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.841 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.461 HG22 ' HG ' ' A' ' 44' ' ' SER . 1.0 OUTLIER 60.77 147.31 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.312 0.577 . . . . 0.0 111.928 179.827 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.7 ' HD2' ' OH ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -99.4 35.48 1.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 178.779 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.24 17.09 5.86 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.138 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.433 ' HD1' ' HG ' ' A' ' 44' ' ' SER . 63.7 t80 59.29 88.07 0.07 Allowed 'General case' 0 C--O 1.233 0.189 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.03 57.57 0.25 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.722 ' HG3' ' HE2' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -113.68 153.41 28.99 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 177.444 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.463 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -146.5 158.81 43.95 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -177.808 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.51 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 95.02 60.41 1.07 Allowed Glycine 0 C--N 1.338 0.643 0 CA-C-N 115.149 -0.932 . . . . 0.0 113.164 179.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.51 ' C ' ' O ' ' A' ' 14' ' ' GLY . 20.4 mttt 16.45 84.58 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.12 0.568 . . . . 0.0 111.853 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.469 ' H ' ' NE2' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 52.8 59.89 4.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.147 -178.668 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.463 ' HB ' ' O ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -82.22 160.23 23.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.26 -179.381 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.426 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.9 m -54.87 -58.87 5.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.608 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.77 -26.15 1.5 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.197 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.695 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -78.18 -53.57 7.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.64 179.903 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.524 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 2.9 pt-20 -60.96 -26.12 67.32 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 178.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.51 -46.49 47.56 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.444 178.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.722 ' HE2' ' HG3' ' A' ' 12' ' ' LYS . 0.7 OUTLIER -51.43 -39.34 57.15 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 178.784 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.579 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 19.9 m -63.7 -48.86 75.41 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.697 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.4 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -74.89 -69.08 0.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -179.111 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.0 p -45.88 -40.12 9.57 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.705 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 1.2 mm? -79.92 -39.06 31.15 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 120.791 0.329 . . . . 0.0 111.189 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.7 ' OH ' ' HD2' ' A' ' 8' ' ' ARG . 1.4 m-85 -131.31 122.4 19.03 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.591 -177.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -82.95 43.81 1.55 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.566 2.177 . . . . 0.0 111.491 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.732 ' HD3' ' H ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -77.62 160.78 28.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.163 -178.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.732 ' H ' ' HD3' ' A' ' 30' ' ' ARG . . . -104.56 -8.75 37.07 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 178.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.453 ' H ' ' HD3' ' A' ' 30' ' ' ARG . 7.8 mt-30 -125.27 18.64 8.28 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.943 0.402 . . . . 0.0 110.6 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.579 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 36.5 t -99.48 149.8 22.85 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.954 179.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.435 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 5.4 t -177.88 -159.7 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.304 -179.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -96.38 127.41 42.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.157 0.504 . . . . 0.0 111.379 -179.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.0 t -127.64 129.62 47.53 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.744 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.434 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 32.0 t70 -139.15 156.21 47.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.594 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 p -99.96 -73.33 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -169.09 44.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.727 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 70.6 mmm -139.78 -167.77 2.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.834 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -88.47 -28.05 21.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.33 142.24 33.87 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.381 0.61 . . . . 0.0 111.469 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.631 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 2.2 p-80 -151.27 -174.64 4.88 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.092 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.543 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 88.3 p -153.34 -158.79 0.91 Allowed 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.836 177.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 81.2 m -99.42 176.21 5.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.721 0.296 . . . . 0.0 111.075 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -150.51 48.85 0.88 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.526 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.546 ' HB3' ' HG3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -63.6 -22.9 67.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.298 0.57 . . . . 0.0 110.035 179.103 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.758 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.4 OUTLIER -136.0 126.89 27.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -43.93 94.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.7 p . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.837 -179.631 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.782 0.325 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.68 50.71 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.816 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.586 ' HB2' ' HZ1' ' A' ' 4' ' ' LYS . 10.3 mtt -62.33 -53.31 56.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.045 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.611 ' HD2' ' HB2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -121.89 -166.05 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.11 94.54 1.64 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.158 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.564 ' HB2' ' HA ' ' A' ' 46' ' ' ASP . 1.0 OUTLIER -58.19 135.36 57.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.584 179.736 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.465 HG23 ' HB2' ' A' ' 44' ' ' SER . 0.9 OUTLIER 59.29 149.13 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 121.29 0.567 . . . . 0.0 112.138 179.87 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.683 ' HD2' ' OH ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -99.26 36.74 1.67 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.748 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.33 17.62 7.58 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 114.6 -1.182 . . . . 0.0 110.475 -178.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.472 ' HD1' ' HB3' ' A' ' 44' ' ' SER . 10.0 t80 59.73 95.27 0.03 OUTLIER 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 115.517 -0.341 . . . . 0.0 110.253 -179.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.439 ' HD2' ' HZ1' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -165.9 53.96 0.1 Allowed 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -179.737 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.651 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 1.1 mptt -110.55 156.02 21.5 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 177.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.432 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -148.81 155.62 41.18 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 -177.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.501 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 99.26 56.42 0.99 Allowed Glycine 0 C--N 1.337 0.609 0 CA-C-N 115.15 -0.932 . . . . 0.0 113.141 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' A' ' 14' ' ' GLY . 3.8 mttt 19.52 84.56 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.042 0.537 . . . . 0.0 111.701 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.453 ' H ' ' NE2' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 52.25 58.83 5.01 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.484 0.659 . . . . 0.0 109.758 -178.525 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.631 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -79.24 160.51 26.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.321 -179.072 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.564 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.3 m -56.76 -58.13 9.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.213 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.17 -25.51 2.26 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.963 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.631 ' H ' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -76.99 -53.29 8.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.541 179.801 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.564 ' HG2' ' O ' ' A' ' 18' ' ' THR . 7.0 pt-20 -59.6 -29.18 67.8 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 178.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -47.77 57.05 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.481 178.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.713 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 3.2 ttpt -51.24 -36.85 43.87 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.361 0.6 . . . . 0.0 109.467 178.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.493 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 37.1 m -65.3 -47.34 76.93 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.888 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.22 -65.82 0.9 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -179.135 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.8 p -47.77 -41.2 22.74 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.713 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 1.2 mm? -79.66 -40.34 29.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.825 0.345 . . . . 0.0 111.477 -179.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.683 ' OH ' ' HD2' ' A' ' 8' ' ' ARG . 1.6 m-85 -126.85 123.58 23.75 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.746 -176.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -86.67 48.62 1.91 Allowed 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 122.686 2.258 . . . . 0.0 111.472 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.672 ' HD3' ' H ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -87.9 159.71 18.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.106 -178.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.672 ' H ' ' HD3' ' A' ' 30' ' ' ARG . . . -99.64 -15.52 31.57 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 178.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.655 ' HG2' HH11 ' A' ' 30' ' ' ARG . 11.3 mm-40 -117.0 21.24 13.39 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.354 -0.423 . . . . 0.0 110.338 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.592 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 34.6 t -99.44 147.83 24.86 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.197 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.438 ' HB ' ' O ' ' A' ' 33' ' ' CYS . 4.4 t -178.61 -161.2 0.05 OUTLIER 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.037 -179.348 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.407 ' HB2' ' HG3' ' A' ' 20' ' ' GLU . 0.4 OUTLIER -96.22 131.59 42.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.314 0.578 . . . . 0.0 111.382 -179.195 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.2 t -134.12 134.07 41.81 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.611 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.428 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 31.1 t0 -142.58 159.69 41.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.666 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.63 -73.66 0.64 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.777 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -168.75 54.67 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.78 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.26 -170.29 3.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -87.0 -23.3 25.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.29 141.5 37.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.319 0.581 . . . . 0.0 111.635 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.651 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 2.6 p-80 -151.14 -174.26 4.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.069 -0.968 . . . . 0.0 109.264 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.51 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 69.6 p -153.9 -160.88 1.15 Allowed 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.696 177.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 61.8 m -99.41 175.27 5.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.755 0.312 . . . . 0.0 111.211 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.564 ' HA ' ' HB2' ' A' ' 6' ' ' CYS . 3.5 t70 -150.54 49.55 0.88 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.402 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.592 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -62.0 -24.15 66.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.262 0.553 . . . . 0.0 110.105 179.203 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.611 ' HB2' ' HD2' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -126.96 144.95 50.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.534 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.08 84.97 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.749 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.434 ' N ' ' O ' ' A' ' 48' ' ' LYS . 60.9 m . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.811 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.749 0.309 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.21 1.9 15.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -119.48 145.42 46.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.608 ' HD3' ' HB2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -119.65 -35.22 3.58 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.697 179.868 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 57.32 74.74 0.4 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.338 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.45 ' HB2' ' HA ' ' A' ' 46' ' ' ASP . 1.1 p -53.12 136.98 34.8 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.742 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 59.78 147.72 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.283 0.563 . . . . 0.0 112.168 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.684 ' HD2' ' OH ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -99.53 34.5 2.2 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.697 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.01 17.54 5.82 Favored Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.067 -178.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 44.0 t80 58.43 85.71 0.09 Allowed 'General case' 0 C--O 1.232 0.162 0 N-CA-C 110.348 -0.241 . . . . 0.0 110.348 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.89 55.15 0.42 Allowed 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -179.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.723 ' HG3' ' HE2' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -111.93 152.71 27.72 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 177.499 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.425 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.3 OUTLIER -148.81 154.54 39.67 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -177.757 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.492 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 104.69 46.14 1.33 Allowed Glycine 0 C--N 1.338 0.69 0 CA-C-N 115.167 -0.924 . . . . 0.0 113.345 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.474 ' N ' ' HE1' ' A' ' 43' ' ' HIS . 1.5 mtpt 29.35 82.41 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 122.622 0.369 . . . . 0.0 111.301 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.404 ' H ' ' NE2' ' A' ' 43' ' ' HIS . 0.4 OUTLIER 53.31 50.89 16.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.438 0.637 . . . . 0.0 109.795 -178.44 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.504 HG22 ' N ' ' A' ' 18' ' ' THR . 0.7 OUTLIER -72.55 155.1 40.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.938 -179.638 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.504 ' N ' HG22 ' A' ' 17' ' ' THR . 1.8 m -53.37 -54.08 41.85 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.236 179.408 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -50.5 -25.67 4.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.822 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.674 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -79.11 -50.58 10.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.485 179.713 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.621 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 4.2 pt-20 -62.76 -25.35 68.16 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.11 -44.88 44.67 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.451 178.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.723 ' HE2' ' HG3' ' A' ' 12' ' ' LYS . 0.6 OUTLIER -55.06 -36.17 65.3 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-O 121.389 0.614 . . . . 0.0 109.479 178.683 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.488 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 32.0 m -71.98 -38.05 69.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.056 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.516 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -78.39 -64.0 1.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.879 0.325 . . . . 0.0 111.879 -179.557 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.3 p -55.51 -37.61 68.1 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.711 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 1.0 OUTLIER -79.86 -39.54 30.37 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 120.792 0.329 . . . . 0.0 111.348 -179.339 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.684 ' OH ' ' HD2' ' A' ' 8' ' ' ARG . 1.7 m-85 -127.67 118.77 21.32 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.683 -176.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -85.53 50.97 2.81 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.611 2.207 . . . . 0.0 111.706 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.596 ' HD3' ' H ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -93.96 162.59 13.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.271 0.558 . . . . 0.0 112.132 -178.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -97.75 -19.54 24.37 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 178.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.596 ' H ' ' HD3' ' A' ' 30' ' ' ARG . 4.0 mt-30 -110.87 17.17 20.81 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 121.005 0.431 . . . . 0.0 110.247 179.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.522 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 43.8 t -99.32 143.84 29.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.902 179.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.451 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 5.5 t -177.05 -156.55 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.202 -179.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -95.92 125.3 40.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.19 0.519 . . . . 0.0 111.532 -179.077 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.2 t -123.62 124.89 43.8 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.874 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -133.24 148.92 52.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.322 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.87 -71.54 0.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -168.25 46.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.739 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.4 mtt -150.18 164.12 36.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.045 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -60.93 -28.78 69.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.048 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.15 142.53 31.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.454 0.645 . . . . 0.0 111.563 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.634 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 2.6 p-80 -151.1 -172.85 4.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.015 -0.993 . . . . 0.0 108.972 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.552 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 79.7 p -153.84 -156.93 0.73 Allowed 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.971 177.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 75.7 m -99.47 171.85 7.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.862 0.363 . . . . 0.0 111.325 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.45 ' HA ' ' HB2' ' A' ' 6' ' ' CYS . 12.1 t70 -150.21 50.21 0.9 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.445 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.522 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -71.25 -21.18 62.14 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.388 0.613 . . . . 0.0 109.847 179.122 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.608 ' HB2' ' HD3' ' A' ' 4' ' ' LYS . 0.5 OUTLIER -126.43 137.12 53.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.351 -179.765 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.32 86.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.672 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 48' ' ' LYS . 62.3 m . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.831 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.771 0.319 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.46 129.6 25.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.446 ' HA ' ' CG ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -151.38 162.59 40.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.956 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.796 ' HE3' ' HB3' ' A' ' 28' ' ' TYR . 1.1 tmtm? -106.51 -44.37 4.51 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.6 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -179.11 10.98 0.0 OUTLIER 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.27 179.515 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.785 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 15.9 p -39.9 120.75 1.19 Allowed 'General case' 0 N--CA 1.463 0.204 0 O-C-N 123.037 0.21 . . . . 0.0 111.13 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.66 ' HA ' ' HZ3' ' A' ' 12' ' ' LYS . 1.5 p 62.35 134.33 0.01 OUTLIER 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.274 0.559 . . . . 0.0 111.867 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.642 ' H ' ' HZ3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -99.18 37.18 1.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.895 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.69 11.04 11.84 Favored Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.752 -178.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.413 ' HA ' ' CB ' ' A' ' 44' ' ' SER . 0.6 OUTLIER 59.62 78.71 0.26 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.45 -0.375 . . . . 0.0 110.462 -179.634 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.51 55.61 0.91 Allowed 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -179.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.724 ' HE3' ' HG2' ' A' ' 23' ' ' LYS . 4.7 mptt -110.96 159.94 17.26 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 178.199 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.439 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.1 OUTLIER -150.31 153.05 35.43 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 -178.367 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.479 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 101.82 48.23 1.4 Allowed Glycine 0 C--N 1.34 0.757 0 CA-C-N 115.324 -0.853 . . . . 0.0 113.735 178.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.5 ' N ' ' CE1' ' A' ' 43' ' ' HIS . 3.7 mttp 28.21 83.92 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 122.521 0.328 . . . . 0.0 111.539 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.427 ' H ' ' NE2' ' A' ' 43' ' ' HIS . 0.6 OUTLIER 50.75 50.55 18.75 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.498 0.666 . . . . 0.0 109.596 -178.577 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.464 HG23 ' H ' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -69.87 159.21 34.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.369 -179.239 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.603 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -55.17 -54.94 36.86 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.012 179.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.74 -23.26 4.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.529 179.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.52 ' HG3' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -78.68 -51.58 9.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.351 179.668 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.603 ' HG2' ' O ' ' A' ' 18' ' ' THR . 6.1 pt-20 -64.16 -24.9 67.85 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.44 -37.29 37.38 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.004 179.214 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.724 ' HG2' ' HE3' ' A' ' 12' ' ' LYS . 1.4 tptt -54.49 -46.22 73.39 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.479 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 2.0 m -68.36 -41.97 79.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.221 -0.9 . . . . 0.0 112.155 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.5 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -73.39 -69.41 0.43 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.734 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.557 ' OG1' HD13 ' A' ' 27' ' ' LEU . 57.0 p -50.3 -42.79 53.13 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.881 0.696 . . . . 0.0 112.881 -178.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.647 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 6.2 mp -85.33 -40.54 16.42 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -178.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.796 ' HB3' ' HE3' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -108.4 126.2 30.14 Favored Pre-proline 0 CA--C 1.532 0.259 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.862 -179.076 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -92.61 38.68 0.24 Allowed 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 122.823 2.349 . . . . 0.0 113.33 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.722 ' HG3' ' HD2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -80.77 138.21 36.27 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.866 0.365 . . . . 0.0 111.594 -179.914 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.86 -11.84 83.36 Favored Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 110.529 -1.029 . . . . 0.0 110.529 178.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.405 ' H ' ' HD2' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -125.87 37.42 4.35 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.033 -0.583 . . . . 0.0 110.217 179.579 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.628 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 2.0 t -98.64 153.01 19.0 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.706 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.432 ' HB ' ' O ' ' A' ' 33' ' ' CYS . 1.3 t -178.3 -167.36 0.13 Allowed 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 120.577 -0.449 . . . . 0.0 112.025 -179.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.419 ' N ' HG21 ' A' ' 34' ' ' THR . 0.1 OUTLIER -97.49 147.0 24.69 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.993 0.425 . . . . 0.0 111.179 -179.42 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.455 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 10.7 t -144.59 129.35 18.26 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.043 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.451 ' OD2' ' HB3' ' A' ' 43' ' ' HIS . 14.0 t70 -137.58 161.16 37.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.655 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.9 -79.47 0.58 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.974 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.63 43.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.638 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 17.7 mtp -146.01 168.08 21.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.941 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -65.58 -26.13 67.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.001 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.77 142.39 34.44 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.326 0.584 . . . . 0.0 111.689 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.573 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 2.7 p-80 -151.29 -168.01 2.97 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.032 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.628 ' HB2' ' HZ1' ' A' ' 12' ' ' LYS . 83.4 p -152.99 -154.48 0.53 Allowed 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.709 177.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.44 ' HB2' ' H ' ' A' ' 7' ' ' THR . 97.6 m -99.6 177.96 5.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.32 0.581 . . . . 0.0 112.354 -178.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -145.95 39.31 1.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.988 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.675 ' SG ' ' HB2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -48.25 -28.02 2.82 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.815 179.433 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.785 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -150.11 145.96 26.63 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.889 -179.21 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.45 ' N ' ' HD3' ' A' ' 48' ' ' LYS . 0.2 OUTLIER -63.26 85.92 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.879 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.6 p . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.909 -179.794 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.6 p30 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.687 0.28 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 64.69 117.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.972 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.93 144.26 55.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.073 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.48 ' HB3' ' HB2' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -117.94 -52.66 2.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.596 179.786 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.37 -7.86 0.64 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.795 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.759 ' HB2' ' HA ' ' A' ' 46' ' ' ASP . 0.5 OUTLIER 63.74 137.97 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.268 179.884 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.555 ' OG1' ' HB2' ' A' ' 44' ' ' SER . 13.7 t 40.31 -162.87 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.528 ' NE ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -139.45 43.65 2.0 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.231 0.538 . . . . 0.0 109.55 -179.808 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.16 16.22 10.73 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.432 -178.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.509 ' HA ' ' CB ' ' A' ' 44' ' ' SER . 1.0 OUTLIER 57.65 76.19 0.34 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.771 -0.214 . . . . 0.0 110.44 -179.619 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.472 ' HG3' ' HE3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -144.25 52.89 1.27 Allowed 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -179.449 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.767 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -115.12 155.41 27.15 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 178.085 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.533 ' HB3' HG22 ' A' ' 42' ' ' THR . 0.2 OUTLIER -150.01 159.45 44.38 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -177.628 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.485 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 104.01 44.09 1.68 Allowed Glycine 0 C--N 1.338 0.642 0 CA-C-N 115.087 -0.961 . . . . 0.0 113.447 179.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.48 ' N ' ' CE1' ' A' ' 43' ' ' HIS . 0.2 OUTLIER 28.71 83.78 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 122.525 0.33 . . . . 0.0 111.301 -179.764 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.402 ' H ' ' NE2' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 52.57 51.47 16.03 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.39 0.614 . . . . 0.0 109.803 -178.494 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.643 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -72.63 153.98 40.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.222 -179.379 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.594 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -54.69 -55.08 33.61 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.043 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.53 -27.8 7.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.624 179.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.643 ' H ' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -74.32 -51.83 14.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.52 179.679 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.594 ' HG2' ' O ' ' A' ' 18' ' ' THR . 7.8 pt-20 -61.31 -33.81 74.2 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.37 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.25 -36.5 69.08 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.887 178.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.616 ' HE3' ' HE2' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -55.04 -47.05 75.29 Favored 'General case' 0 C--O 1.223 -0.334 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.795 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.565 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 3.2 m -65.53 -34.92 79.38 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.514 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.509 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -72.03 -69.84 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.604 -179.514 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.2 p -51.98 -33.63 38.83 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.559 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -81.84 -43.56 18.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.76 0.314 . . . . 0.0 111.244 -179.717 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.629 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 2.3 m-85 -134.58 101.22 12.03 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.228 -177.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -72.83 73.64 2.97 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.837 2.358 . . . . 0.0 111.236 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.477 ' HE ' ' HG2' ' A' ' 4' ' ' LYS . 15.3 mmm180 -118.71 179.77 4.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.338 0.59 . . . . 0.0 111.774 -178.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -105.16 -16.36 16.79 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.066 178.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.97 10.23 15.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.186 0.517 . . . . 0.0 110.305 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.629 ' SG ' ' HB2' ' A' ' 28' ' ' TYR . 45.9 t -100.44 98.32 8.96 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.789 179.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.446 HG21 ' N ' ' A' ' 35' ' ' CYS . 11.6 t -144.37 -146.69 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.284 -179.013 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.446 ' N ' HG21 ' A' ' 34' ' ' THR . 0.0 OUTLIER -96.86 130.51 44.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.167 0.508 . . . . 0.0 111.457 -179.101 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.2 t -133.27 125.65 29.75 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.488 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.422 ' HB2' ' HB3' ' A' ' 43' ' ' HIS . 28.8 t70 -143.02 156.19 44.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.737 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.3 -63.05 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.746 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.03 41.75 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.598 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.5 mtp -138.48 165.26 27.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.986 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -64.18 -29.42 70.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.132 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.533 HG22 ' HB3' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -100.02 141.81 32.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.555 0.693 . . . . 0.0 111.559 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.66 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.5 p-80 -151.13 -176.33 5.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.767 -1.106 . . . . 0.0 108.57 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.6 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 91.3 p -153.9 -163.44 1.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.049 -0.66 . . . . 0.0 111.961 177.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.545 ' HB2' ' HA ' ' A' ' 7' ' ' THR . 55.0 m -99.77 135.52 41.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.028 -179.521 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.759 ' HA ' ' HB2' ' A' ' 6' ' ' CYS . 15.9 t0 -117.33 51.71 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.821 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.522 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.4 OUTLIER -59.75 -24.57 64.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.351 179.404 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.445 ' HB2' ' HB2' ' A' ' 4' ' ' LYS . 2.7 tmtt? -140.58 135.65 32.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.676 -179.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.19 98.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.135 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.0 p . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.314 -0.851 . . . . 0.0 110.948 -179.715 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.821 0.343 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.8 tp -162.52 113.91 1.57 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 65.39 125.04 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.349 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.597 ' HG2' ' NE ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -110.37 -89.93 0.48 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.01 36.5 0.0 OUTLIER 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.485 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 19.6 p -45.64 111.65 0.37 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.19 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.629 ' HG1' ' H ' ' A' ' 9' ' ' GLY . 0.7 OUTLIER 57.98 157.5 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.394 0.616 . . . . 0.0 112.409 179.488 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.474 ' H ' ' HZ3' ' A' ' 12' ' ' LYS . 13.1 mtp85 -101.37 31.22 3.81 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.629 ' H ' ' HG1' ' A' ' 7' ' ' THR . . . 116.24 17.66 6.13 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.194 -178.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.617 ' H ' ' HG1' ' A' ' 7' ' ' THR . 0.6 OUTLIER 63.7 86.01 0.13 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.738 -0.231 . . . . 0.0 110.404 -179.653 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.595 ' HD2' ' HE3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -154.06 51.19 0.66 Allowed 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -179.549 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.634 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 0.1 OUTLIER -112.1 156.03 22.9 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 178.142 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.43 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -148.33 155.48 41.34 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -178.111 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.641 ' HA3' ' HG1' ' A' ' 17' ' ' THR . . . 97.31 60.9 0.94 Allowed Glycine 0 C--N 1.338 0.681 0 CA-C-N 115.289 -0.869 . . . . 0.0 112.942 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.521 ' C ' ' O ' ' A' ' 14' ' ' GLY . 0.6 OUTLIER 13.35 87.9 0.01 OUTLIER 'General case' 0 C--N 1.346 0.45 0 C-N-CA 123.171 0.588 . . . . 0.0 112.056 -179.556 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.412 ' H ' ' NE2' ' A' ' 43' ' ' HIS . 3.3 t 52.35 62.11 2.86 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.354 0.597 . . . . 0.0 109.459 -178.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.641 ' HG1' ' HA3' ' A' ' 14' ' ' GLY . 0.8 OUTLIER -82.01 156.12 24.81 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.055 -179.004 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.465 ' N ' HG21 ' A' ' 17' ' ' THR . 2.7 m -53.61 -70.08 0.1 Allowed 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.425 ' N ' HG23 ' A' ' 18' ' ' THR . 0.2 OUTLIER -43.42 -24.24 0.09 Allowed 'General case' 0 CA--C 1.522 -0.122 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.63 179.889 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.56 ' HG3' ' CD2' ' A' ' 43' ' ' HIS . 2.1 tm-20 -76.16 -63.73 1.26 Allowed 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 120.936 0.398 . . . . 0.0 110.147 179.271 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -53.65 -28.61 34.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.242 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.42 -39.8 45.68 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.127 179.098 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.608 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -52.16 -45.2 64.98 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.802 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.508 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 3.2 m -70.09 -37.06 75.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.91 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.539 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -75.01 -68.37 0.56 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -179.201 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.8 p -50.65 -42.09 56.1 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.608 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.9 mp -85.41 -40.3 16.6 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -178.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.509 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -111.65 96.62 33.39 Favored Pre-proline 0 CA--C 1.53 0.192 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.925 -178.829 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -74.83 72.87 4.4 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.289 1.993 . . . . 0.0 111.749 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.597 ' NE ' ' HG2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -115.91 -177.53 3.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.299 0.571 . . . . 0.0 112.182 -179.058 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.589 ' H ' ' HD2' ' A' ' 30' ' ' ARG . . . -112.38 -33.14 2.17 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.166 178.811 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.507 ' HG3' ' NH2' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -98.63 12.85 34.06 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.208 0.527 . . . . 0.0 110.056 179.084 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.555 ' O ' ' HB ' ' A' ' 34' ' ' THR . 20.0 t -101.17 147.06 26.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.308 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.555 ' HB ' ' O ' ' A' ' 33' ' ' CYS . 14.7 t 173.63 -140.43 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 O-C-N 123.287 0.367 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.524 ' HB2' ' OE1' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -96.9 133.53 41.41 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.081 0.467 . . . . 0.0 111.294 -179.426 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.446 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.1 OUTLIER -141.81 118.94 11.33 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.802 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.441 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 26.7 t70 -129.18 156.39 44.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.808 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.8 m -99.85 -76.62 0.54 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.857 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -168.76 38.82 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.706 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 28.7 mtm -139.61 -172.86 3.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.797 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -80.38 -28.04 38.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.17 140.55 37.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.441 0.639 . . . . 0.0 111.515 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.634 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 5.4 p-80 -150.99 -172.14 4.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.968 -1.015 . . . . 0.0 108.979 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.577 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 78.8 p -154.27 -143.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 121.101 -0.24 . . . . 0.0 110.402 177.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.617 ' H ' HG22 ' A' ' 7' ' ' THR . 3.3 m -111.2 178.65 4.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.836 0.351 . . . . 0.0 111.395 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -150.53 40.02 0.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.053 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.509 ' HB3' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -56.52 -26.35 54.39 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.365 0.602 . . . . 0.0 110.042 179.303 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.594 ' HB3' ' SG ' ' A' ' 50' ' ' CYS . 8.6 tttm -130.5 150.87 51.52 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.749 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.31 77.33 0.16 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.556 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.594 ' SG ' ' HB3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.792 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.808 0.337 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.2 mt 57.24 33.71 23.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.155 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.7 mtp -61.91 166.46 4.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.67 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.558 ' HD2' ' HB2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -103.98 -172.14 2.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.922 0.392 . . . . 0.0 111.043 -179.844 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 ptt180 -151.41 82.8 1.3 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.957 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.559 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 2.7 p -46.5 137.81 6.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.314 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.787 ' H ' ' HB2' ' A' ' 45' ' ' CYS . 0.4 OUTLIER 59.7 149.87 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.101 0 CA-C-O 121.415 0.626 . . . . 0.0 112.551 179.153 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.554 ' HD2' ' HH ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -99.71 35.19 2.05 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.518 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.55 15.32 8.89 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 114.825 -1.079 . . . . 0.0 110.667 -178.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.426 ' HA ' ' CB ' ' A' ' 44' ' ' SER . 0.8 OUTLIER 60.09 82.06 0.16 Allowed 'General case' 0 C--O 1.231 0.121 0 CA-C-N 115.309 -0.446 . . . . 0.0 110.566 -179.622 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.67 49.87 0.87 Allowed 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -179.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.661 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 0.5 OUTLIER -109.02 155.12 21.28 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 177.907 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.15 155.77 42.42 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 -177.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.503 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 97.92 58.94 0.96 Allowed Glycine 0 C--N 1.339 0.703 0 CA-C-N 115.228 -0.896 . . . . 0.0 113.108 179.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.503 ' C ' ' O ' ' A' ' 14' ' ' GLY . 90.4 mttt 16.98 83.7 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 122.995 0.518 . . . . 0.0 111.999 -179.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.428 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.4 OUTLIER 53.32 59.96 4.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.592 -178.637 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.511 ' HB ' ' HG2' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -82.97 154.47 24.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.733 -179.794 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.547 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.3 m -52.55 -55.53 21.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.76 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.39 -23.77 2.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.434 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.54 ' HB3' ' HB3' ' A' ' 12' ' ' LYS . 5.1 mm-40 -82.22 -49.16 10.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.595 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 18' ' ' THR . 12.3 pt-20 -63.48 -25.74 68.4 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 178.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.34 -43.65 40.05 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.693 178.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.554 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -50.9 -43.54 59.83 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 121.217 0.532 . . . . 0.0 109.692 178.894 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.577 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 17.8 m -64.71 -50.12 68.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.912 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.435 ' HE3' ' O ' ' A' ' 33' ' ' CYS . 0.8 OUTLIER -69.69 -68.41 0.41 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.258 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.6 p -45.87 -35.12 4.28 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.674 HD23 ' N ' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -85.1 -44.93 12.55 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.89 0.376 . . . . 0.0 110.41 -179.918 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.554 ' HH ' ' HD2' ' A' ' 8' ' ' ARG . 0.2 OUTLIER -116.58 122.57 31.6 Favored Pre-proline 0 N--CA 1.462 0.15 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.402 -177.875 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -80.78 37.11 0.66 Allowed 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.326 2.017 . . . . 0.0 111.202 178.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.547 ' NE ' ' HB3' ' A' ' 4' ' ' LYS . 4.5 mpt_? -68.48 170.09 9.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.363 -178.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -117.23 -14.07 7.28 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.045 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -122.0 17.57 10.89 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 120.938 0.399 . . . . 0.0 110.437 179.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.577 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 17.0 t -99.69 153.77 18.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.269 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.455 ' HB ' ' O ' ' A' ' 33' ' ' CYS . 6.9 t 179.69 -152.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.077 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -97.75 135.48 39.46 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.105 0.478 . . . . 0.0 111.362 -179.415 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.447 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 64.0 p -137.54 122.97 19.56 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.592 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -129.52 151.84 49.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.703 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.12 -81.66 0.46 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.848 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -159.91 48.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.742 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.5 mtp -147.55 -179.56 6.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.839 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -82.51 -4.4 57.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.583 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.81 141.78 51.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.399 0.618 . . . . 0.0 111.467 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.661 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.0 p-80 -150.83 -172.95 4.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.983 -1.008 . . . . 0.0 108.897 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.605 ' HG ' HG21 ' A' ' 7' ' ' THR . 65.8 p -154.28 -143.3 0.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.726 177.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.787 ' HB2' ' H ' ' A' ' 7' ' ' THR . 58.6 m -105.12 173.44 6.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.906 0.384 . . . . 0.0 111.68 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -150.92 46.76 0.85 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.216 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.559 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -65.96 -21.95 66.45 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.305 0.574 . . . . 0.0 110.08 179.424 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.559 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 1.8 tmtt? -135.76 125.0 24.6 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.134 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.8 t -38.75 93.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.407 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.422 ' N ' ' O ' ' A' ' 48' ' ' LYS . 26.2 p . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.923 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 13.4 m120 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.784 0.326 . . . . 0.0 111.351 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.47 -25.26 66.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.872 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.2 mtt -162.84 -178.25 6.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.93 162.34 35.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.605 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -132.97 104.91 6.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.18 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.648 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 1.7 p -50.57 123.72 9.38 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.232 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.515 ' HG1' ' H ' ' A' ' 9' ' ' GLY . 0.6 OUTLIER 62.31 143.29 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.102 0 CA-C-O 121.35 0.595 . . . . 0.0 111.977 179.637 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.864 ' HD2' HD23 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.96 32.3 2.97 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 178.579 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.515 ' H ' ' HG1' ' A' ' 7' ' ' THR . . . 132.98 6.17 2.89 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 114.572 -1.195 . . . . 0.0 110.925 -178.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.441 ' H ' ' HG1' ' A' ' 7' ' ' THR . 1.3 t80 56.09 88.28 0.05 OUTLIER 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.482 -0.359 . . . . 0.0 110.838 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.496 ' HG3' ' HZ1' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -163.12 57.98 0.19 Allowed 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -179.893 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.746 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -111.73 158.24 19.56 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 178.293 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.469 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -150.44 158.85 44.61 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -177.74 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.479 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 98.84 52.34 1.29 Allowed Glycine 0 C--N 1.34 0.778 0 CA-C-N 115.214 -0.903 . . . . 0.0 113.589 178.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 14' ' ' GLY . 1.6 mtmm 22.05 84.67 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 122.741 0.416 . . . . 0.0 111.678 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.9 t 53.63 55.78 8.11 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.257 0.551 . . . . 0.0 109.812 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.469 ' HB ' ' O ' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -75.99 155.33 35.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.195 -179.283 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.446 ' N ' HG21 ' A' ' 17' ' ' THR . 1.1 m -55.26 -55.71 28.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.006 179.225 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.423 ' N ' HG23 ' A' ' 18' ' ' THR . 0.2 OUTLIER -51.91 -23.48 5.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.863 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.538 ' HG3' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -74.89 -52.37 11.45 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.305 179.657 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.614 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 3.0 pt-20 -63.3 -34.83 78.53 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.512 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -71.21 -32.84 69.31 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.915 179.036 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.658 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -55.07 -64.93 0.68 Allowed 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.802 179.378 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.51 ' SG ' ' HB3' ' A' ' 33' ' ' CYS . 0.8 OUTLIER -68.56 -16.89 64.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.417 179.694 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.614 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -70.69 -72.73 0.19 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.814 0.34 . . . . 0.0 110.958 -179.536 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.5 p -57.49 -27.81 62.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.237 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.864 HD23 ' HD2' ' A' ' 8' ' ' ARG . 0.1 OUTLIER -81.0 -33.95 33.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.403 -179.78 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.584 ' CE2' ' HB3' ' A' ' 27' ' ' LEU . 4.7 m-85 -141.11 109.84 6.42 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.561 -178.686 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -83.48 51.43 3.54 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.809 2.339 . . . . 0.0 112.341 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.73 ' HD3' ' H ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -85.4 -157.66 0.33 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.402 -179.7 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.73 ' H ' ' HD3' ' A' ' 30' ' ' ARG . . . -125.08 -8.54 5.52 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 178.342 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -134.87 15.08 3.6 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.324 -0.438 . . . . 0.0 110.626 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.629 ' SG ' ' HB2' ' A' ' 30' ' ' ARG . 85.6 m -99.59 63.97 1.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.71 179.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.408 HG22 ' H ' ' A' ' 35' ' ' CYS . 8.9 t -115.15 -130.46 0.31 Allowed 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.662 -178.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.428 ' HA ' ' OE2' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -98.83 146.23 26.15 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.967 0.413 . . . . 0.0 111.471 -179.298 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.484 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 10.6 t -149.85 106.82 3.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.344 179.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.519 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 29.9 t0 -115.19 162.71 16.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.554 -179.294 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.6 t -130.09 16.35 5.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.557 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 85.1 mttt 68.12 66.07 0.35 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.216 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.48 ' O ' ' HB3' ' A' ' 41' ' ' ASN . 8.4 mtp -150.5 17.22 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.78 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.48 ' HB3' ' O ' ' A' ' 40' ' ' MET . 40.3 t30 77.2 -41.15 0.37 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.572 -179.147 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.401 ' H ' ' HG1' ' A' ' 42' ' ' THR . 0.3 OUTLIER -105.72 140.21 39.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.146 0.498 . . . . 0.0 110.449 178.789 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.598 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 6.7 p-80 -150.75 -171.14 3.85 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.603 -179.47 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.568 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 74.5 p -153.26 -149.15 0.28 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.238 177.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.554 ' HB3' HH22 ' A' ' 8' ' ' ARG . 0.0 OUTLIER -119.56 147.54 44.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.129 0.49 . . . . 0.0 112.032 -179.218 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -101.57 49.95 0.86 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.139 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.537 ' CB ' ' HA ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -49.45 -29.73 6.99 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.355 179.529 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.648 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 7.3 tttm -144.35 141.45 29.73 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.377 -1.283 . . . . 0.0 110.525 -179.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.7 t -56.21 93.54 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.736 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 27.0 p . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.908 -179.737 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.875 0.369 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.03 7.85 8.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.935 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 58.64 -94.41 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.032 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.632 ' HB3' ' NE ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -130.81 -177.76 4.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.739 179.895 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -145.02 86.32 1.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.143 -179.866 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.632 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 1.6 p -48.25 122.79 5.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 179.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.52 HG21 ' OG ' ' A' ' 44' ' ' SER . 0.6 OUTLIER 59.54 147.21 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 121.124 0.488 . . . . 0.0 112.005 179.696 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.437 ' HD3' ' OH ' ' A' ' 28' ' ' TYR . 2.6 mtp-105 -99.46 29.71 3.89 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 178.241 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 130.74 14.83 1.83 Allowed Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 114.411 -1.268 . . . . 0.0 111.144 -178.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.3 t80 57.83 86.46 0.08 Allowed 'General case' 0 C--O 1.231 0.124 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.22 55.87 0.77 Allowed 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 -179.219 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.724 ' HG3' ' HE2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -111.96 150.97 29.79 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 177.674 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.7 154.76 41.8 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -177.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.483 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 104.89 45.65 1.36 Allowed Glycine 0 C--N 1.337 0.598 0 CA-C-N 115.171 -0.922 . . . . 0.0 113.28 179.162 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.479 ' N ' ' HE1' ' A' ' 43' ' ' HIS . 0.9 OUTLIER 31.51 82.17 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.72 0.295 . . . . 0.0 111.236 -179.882 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.468 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 49.71 53.82 12.1 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.353 0.597 . . . . 0.0 109.994 -178.591 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.525 ' H ' ' HE2' ' A' ' 43' ' ' HIS . 0.8 OUTLIER -74.18 155.7 38.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.101 -179.523 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.449 HG23 ' N ' ' A' ' 19' ' ' LEU . 1.2 m -50.65 -59.94 3.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.544 179.466 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.449 ' N ' HG23 ' A' ' 18' ' ' THR . 0.2 OUTLIER -46.07 -37.97 7.4 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.227 -179.858 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.534 ' HG3' ' NE2' ' A' ' 43' ' ' HIS . 5.8 mm-40 -65.79 -53.06 45.35 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.98 -179.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 22' ' ' GLU . 8.8 pt-20 -59.76 -34.17 72.63 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 178.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.422 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -65.73 -41.8 91.79 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.34 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.724 ' HE2' ' HG3' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -53.49 -50.18 65.9 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 178.493 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.429 ' HA ' ' HD2' ' A' ' 28' ' ' TYR . 2.9 m -52.53 -38.77 60.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.034 179.116 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.414 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -77.86 -77.01 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.128 -179.343 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.7 p -45.92 -35.89 5.0 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.713 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 2.8 mm? -80.69 -42.01 22.72 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 111.387 -179.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.467 ' HH ' ' HA ' ' A' ' 7' ' ' THR . 1.4 m-85 -129.22 110.82 18.09 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 -177.52 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -80.4 63.56 8.77 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.502 2.135 . . . . 0.0 111.962 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.632 ' NE ' ' HB3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -107.71 169.35 8.65 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.307 0.575 . . . . 0.0 112.09 -179.051 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -102.79 -16.03 22.89 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.88 178.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -115.27 14.52 16.88 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.007 0.432 . . . . 0.0 110.256 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.672 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 49.3 t -99.59 137.9 37.44 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.685 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.405 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 6.0 t -171.75 -155.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.232 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.3 t -96.51 117.35 30.73 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.241 0.543 . . . . 0.0 111.543 -178.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.0 p -115.45 131.52 56.9 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.449 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -147.03 158.14 43.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.75 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.6 m -106.79 -66.95 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.674 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -174.26 47.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.79 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.5 mmm -141.34 163.26 33.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -63.56 -20.62 65.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.84 143.04 40.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.475 0.655 . . . . 0.0 111.467 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.649 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.1 p-80 -150.92 -172.94 4.34 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.824 -1.08 . . . . 0.0 108.673 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.618 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 73.9 p -154.13 -154.65 0.53 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.862 177.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.485 ' O ' HG23 ' A' ' 7' ' ' THR . 45.0 m -121.68 118.66 29.69 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.876 0.369 . . . . 0.0 111.263 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -99.55 71.2 1.72 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.971 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.672 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 1.6 m -69.93 -23.28 63.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.58 0.705 . . . . 0.0 109.367 178.442 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.632 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -128.13 135.22 49.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.22 179.735 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.6 t -55.24 87.96 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.761 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.402 ' N ' ' O ' ' A' ' 48' ' ' LYS . 7.7 p . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.943 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.861 0.363 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -99.21 138.52 36.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.82 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.679 ' HB3' ' HE2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -136.61 -82.86 0.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.755 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.697 ' HG2' ' HD2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -143.84 169.15 18.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.671 179.818 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.92 104.27 4.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.957 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.611 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 1.6 p -49.11 128.01 15.56 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.639 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.499 HG21 ' C ' ' A' ' 6' ' ' CYS . 0.6 OUTLIER 60.45 135.84 0.01 OUTLIER 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.98 0.419 . . . . 0.0 111.386 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.555 ' NE ' ' HE2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -99.26 31.51 3.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.696 0.76 . . . . 0.0 109.136 178.667 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 136.72 5.7 1.9 Allowed Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 114.484 -1.235 . . . . 0.0 111.093 -179.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.4 t80 57.1 85.58 0.08 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.656 -0.272 . . . . 0.0 110.585 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.05 55.0 0.65 Allowed 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.635 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 0.4 OUTLIER -112.08 159.23 18.7 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 177.891 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.468 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -150.8 161.5 42.54 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -178.227 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.516 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 94.78 58.45 1.18 Allowed Glycine 0 C--N 1.339 0.713 0 CA-C-N 115.309 -0.859 . . . . 0.0 113.349 179.077 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.516 ' C ' ' O ' ' A' ' 14' ' ' GLY . 30.7 mttt 14.39 88.52 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.109 0.563 . . . . 0.0 112.053 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.1 t 52.56 58.72 5.09 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.336 0.588 . . . . 0.0 109.716 -178.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.571 HG21 ' H ' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -79.22 155.94 28.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.539 -178.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.608 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.5 m -57.31 -57.21 13.61 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.58 -21.8 2.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.648 179.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.571 ' H ' HG21 ' A' ' 17' ' ' THR . 0.0 OUTLIER -77.66 -52.87 8.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.439 179.639 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.608 ' HG2' ' O ' ' A' ' 18' ' ' THR . 7.4 pt-20 -64.13 -30.31 71.39 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.311 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.35 -34.52 55.14 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.05 179.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.497 ' HG3' HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -52.53 -63.79 1.03 Allowed 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.661 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.561 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 1.1 m -51.91 -53.41 41.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.264 179.182 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.557 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -52.04 -40.98 61.91 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -178.748 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.51 -39.98 85.15 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -178.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.497 HD11 ' HG3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -83.69 -48.31 10.29 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.903 -179.206 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.555 ' HE2' ' NE ' ' A' ' 8' ' ' ARG . 1.7 m-85 -122.99 111.79 30.63 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.027 -179.013 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -81.25 44.37 1.73 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.619 2.213 . . . . 0.0 111.982 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.697 ' HD2' ' HG2' ' A' ' 4' ' ' LYS . 8.8 mmt180 -76.59 -175.49 3.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.869 -179.373 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -107.05 -13.94 20.17 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.257 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -121.96 12.03 10.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.235 0.54 . . . . 0.0 110.376 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.561 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 18.1 t -99.99 69.99 1.56 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.785 179.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.412 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 12.3 t -122.57 -132.93 0.28 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.428 -178.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.439 ' HA ' ' OE2' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -97.49 137.7 36.04 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.132 0.491 . . . . 0.0 111.302 -179.271 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.487 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.6 OUTLIER -145.85 112.14 5.78 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.496 179.816 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -123.87 156.06 36.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.95 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.4 m -100.21 -74.33 0.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.755 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.38 38.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.96 -173.59 3.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.814 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -82.48 -17.71 44.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.847 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.47 140.12 47.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.373 0.606 . . . . 0.0 111.579 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.635 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 7.7 p-80 -151.22 -172.51 4.23 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.93 -1.032 . . . . 0.0 108.937 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.594 ' HB2' ' HE2' ' A' ' 12' ' ' LYS . 77.8 p -153.91 -146.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.701 177.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 5.1 m -109.11 177.39 4.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.036 0.446 . . . . 0.0 111.55 -179.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -149.5 47.2 0.96 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.853 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.525 ' HB3' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -58.82 -24.91 62.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.306 179.414 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.611 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -127.34 141.46 51.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.653 -179.679 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.16 91.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.962 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 25.7 p . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.945 -179.879 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 11.4 m120 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.727 0.299 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 mp 55.63 44.38 26.64 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.743 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 14.6 ptp -155.6 129.53 8.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.19 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.585 ' HE3' ' HG2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -149.05 122.11 8.85 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.988 179.841 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.585 ' HG2' ' HE3' ' A' ' 4' ' ' LYS . 7.2 ptt180 -59.56 102.24 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.462 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.509 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER -49.66 139.85 12.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.227 179.685 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.763 ' H ' ' HB2' ' A' ' 45' ' ' CYS . 0.6 OUTLIER 59.84 153.06 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.366 0.603 . . . . 0.0 112.352 179.237 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.532 ' HD2' ' OH ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -99.73 34.74 2.17 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.401 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.3 14.61 8.19 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.762 -178.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 60.78 84.15 0.13 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.527 -0.336 . . . . 0.0 110.489 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.71 53.1 0.59 Allowed 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.668 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -110.99 154.01 24.75 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 178.239 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -148.96 155.81 41.36 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -177.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.483 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 102.85 47.95 1.31 Allowed Glycine 0 C--N 1.338 0.663 0 CA-C-N 115.27 -0.877 . . . . 0.0 113.199 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.459 ' N ' ' HE1' ' A' ' 43' ' ' HIS . 1.8 mmtp 27.28 83.12 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.815 0.34 . . . . 0.0 111.525 -179.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.427 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 52.36 52.59 13.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.196 0.522 . . . . 0.0 110.504 -179.109 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.523 ' H ' ' HE2' ' A' ' 43' ' ' HIS . 0.9 OUTLIER -75.62 154.22 36.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.635 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.566 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -51.72 -55.43 19.67 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.659 179.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.24 -25.66 3.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.403 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.537 ' HG3' ' NE2' ' A' ' 43' ' ' HIS . 3.6 mm-40 -80.03 -49.45 11.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.486 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.566 ' HG2' ' HA ' ' A' ' 18' ' ' THR . 7.3 pt-20 -65.94 -23.01 66.53 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 178.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.24 -38.49 35.46 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.619 178.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.617 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -53.73 -51.0 64.72 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.53 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.552 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 3.3 m -67.99 -33.68 75.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.044 -0.98 . . . . 0.0 112.198 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.557 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -77.72 -72.25 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.08 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.665 ' HG1' HD11 ' A' ' 27' ' ' LEU . 81.9 p -48.14 -39.65 21.29 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -179.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.665 HD11 ' HG1' ' A' ' 26' ' ' THR . 5.7 mp -85.49 -38.44 18.58 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.771 -179.193 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.532 ' OH ' ' HD2' ' A' ' 8' ' ' ARG . 0.2 OUTLIER -116.14 105.36 51.03 Favored Pre-proline 0 CA--C 1.529 0.164 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.399 -178.558 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -79.91 69.85 7.76 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.181 1.921 . . . . 0.0 111.153 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.423 ' HE ' ' HA ' ' A' ' 30' ' ' ARG . 1.6 mmp_? -109.45 -176.42 3.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.424 0.63 . . . . 0.0 112.293 -178.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -118.54 -24.88 3.03 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 114.986 -1.007 . . . . 0.0 111.27 179.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.72 12.73 24.01 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.085 0.469 . . . . 0.0 110.285 179.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.552 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 32.1 t -101.13 145.39 28.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.364 179.578 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.436 ' HB ' ' O ' ' A' ' 33' ' ' CYS . 12.2 t -179.28 -147.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.011 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.95 139.79 33.26 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.977 0.418 . . . . 0.0 111.215 -179.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.422 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.6 OUTLIER -139.04 111.73 7.72 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.606 179.822 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -126.19 158.67 35.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.026 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.4 m -117.55 -80.97 0.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.703 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.86 60.88 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.735 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.45 ' O ' ' HB3' ' A' ' 41' ' ' ASN . 5.7 mtm -150.07 14.42 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.31 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.45 ' HB3' ' O ' ' A' ' 40' ' ' MET . 50.4 t30 74.93 -32.35 0.22 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.18 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.448 ' H ' ' C ' ' A' ' 40' ' ' MET . 0.1 OUTLIER -100.24 143.89 29.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.227 0.537 . . . . 0.0 110.886 179.397 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.668 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 2.8 p-80 -150.47 -174.77 4.86 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.367 -179.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.486 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 77.7 p -154.12 -146.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.976 -0.289 . . . . 0.0 110.455 177.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.763 ' HB2' ' H ' ' A' ' 7' ' ' THR . 34.5 m -104.34 171.54 7.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.02 0.438 . . . . 0.0 111.413 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -150.63 43.24 0.82 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.412 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.505 ' HB3' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -62.66 -23.77 67.28 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.323 0.582 . . . . 0.0 109.883 179.174 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.509 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -132.43 136.14 46.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.532 -179.879 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.5 94.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.118 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 20.7 p . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.941 -179.956 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 23.4 m120 . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.756 0.312 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 56.6 26.33 10.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.83 148.67 49.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.702 ' HG2' ' HD2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -123.98 -154.83 0.63 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.734 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.55 67.95 0.29 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.083 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.72 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 12.4 p -49.51 127.4 15.36 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.009 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.676 HG21 ' H ' ' A' ' 45' ' ' CYS . 0.6 OUTLIER 59.76 153.93 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.303 0.573 . . . . 0.0 112.325 179.414 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.428 ' HD3' ' HH ' ' A' ' 28' ' ' TYR . 11.7 mtp-105 -103.43 29.73 5.45 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 178.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.38 17.72 4.31 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.007 -178.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.5 ' H ' ' HG1' ' A' ' 7' ' ' THR . 1.4 t80 61.49 93.26 0.05 OUTLIER 'General case' 0 C--O 1.231 0.118 0 CA-C-N 115.716 -0.242 . . . . 0.0 110.84 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.01 52.35 0.27 Allowed 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.806 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -112.75 157.56 21.17 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 177.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.476 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.1 OUTLIER -148.83 155.39 40.85 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -178.243 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.528 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 95.75 59.68 1.06 Allowed Glycine 0 C--N 1.341 0.858 0 CA-C-N 115.174 -0.921 . . . . 0.0 113.421 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.508 ' N ' ' CE1' ' A' ' 43' ' ' HIS . 3.5 mttp 19.94 84.09 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 122.978 0.511 . . . . 0.0 111.932 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.44 ' H ' ' NE2' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 49.3 55.76 8.85 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.551 0.691 . . . . 0.0 109.834 -178.516 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.568 HG23 ' H ' ' A' ' 20' ' ' GLU . 0.6 OUTLIER -74.12 159.25 32.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.783 -1.099 . . . . 0.0 111.509 -179.103 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.602 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.1 m -57.12 -49.95 74.31 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.322 179.287 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.508 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 0.2 OUTLIER -54.86 -24.83 24.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.554 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.806 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -85.91 -41.23 15.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.623 179.267 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.602 ' HG2' ' HA ' ' A' ' 18' ' ' THR . 5.2 pt-20 -65.24 -34.19 77.78 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.089 179.71 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.649 ' HG3' ' H ' ' A' ' 23' ' ' LYS . 1.6 pp20? -72.07 -52.05 18.7 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 178.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.649 ' H ' ' HG3' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -38.77 -44.78 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.887 178.548 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 45.0 m -70.37 -45.54 65.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.244 -0.889 . . . . 0.0 112.718 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.5 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -72.31 -65.38 0.79 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.793 0.33 . . . . 0.0 111.83 -178.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.454 ' OG1' HD11 ' A' ' 27' ' ' LEU . 46.3 p -49.42 -44.45 45.36 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -179.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.608 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 6.2 mp -85.76 -40.4 16.12 Favored 'General case' 0 CA--C 1.528 0.121 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -178.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.515 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -111.4 114.13 53.21 Favored Pre-proline 0 CA--C 1.531 0.25 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.499 -178.337 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -89.03 89.76 0.4 Allowed 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 122.771 2.314 . . . . 0.0 111.541 178.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.702 ' HD2' ' HG2' ' A' ' 4' ' ' LYS . 0.7 OUTLIER -139.28 -178.89 5.57 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.348 0.594 . . . . 0.0 112.263 -178.773 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.23 -32.13 2.66 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.144 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.41 15.09 28.97 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.352 0.596 . . . . 0.0 109.813 179.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.522 ' HB2' ' HB3' ' A' ' 47' ' ' CYS . 35.0 t -103.11 137.23 41.56 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.256 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 6.7 t -177.24 -155.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.146 -179.472 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.7 p -96.48 128.33 43.31 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 121.259 0.552 . . . . 0.0 111.086 -179.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 4.5 t -137.68 126.54 24.03 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.341 -179.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.444 ' HA ' ' HB3' ' A' ' 43' ' ' HIS . 1.8 p30 -119.57 164.95 15.07 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.597 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.5 m -101.3 -72.75 0.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.694 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.36 37.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.448 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 14.3 mtt -140.57 -158.01 0.82 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.603 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -92.22 -27.04 17.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.043 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.22 141.62 35.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.518 0.675 . . . . 0.0 111.638 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.633 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 2.9 p-80 -151.35 -174.12 4.72 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.768 -1.106 . . . . 0.0 108.748 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.61 ' HB2' ' HE2' ' A' ' 12' ' ' LYS . 90.9 p -154.51 -143.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.132 177.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.676 ' H ' HG21 ' A' ' 7' ' ' THR . 0.1 OUTLIER -101.09 170.62 8.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.065 0.46 . . . . 0.0 111.99 -179.342 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -150.79 33.69 0.61 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.393 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.522 ' HB3' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -57.44 -25.17 59.23 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.383 0.611 . . . . 0.0 109.935 179.096 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.72 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -133.22 136.18 45.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.398 -179.799 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.06 94.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.066 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 48' ' ' LYS . 29.7 p . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.93 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.831 0.348 . . . . 0.0 111.28 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.3 -59.25 0.24 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.86 -81.5 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.635 ' HG2' ' HE ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -132.83 -36.16 1.06 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.859 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.411 ' HE ' ' HB2' ' A' ' 5' ' ' ARG . 7.1 ttm180 57.19 83.0 0.11 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.422 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 1.6 p -57.57 136.33 56.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.243 179.86 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.633 HG23 ' H ' ' A' ' 45' ' ' CYS . 0.6 OUTLIER 58.5 165.67 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.3 0.571 . . . . 0.0 112.364 179.084 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.669 HH11 ' HD2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -107.58 23.56 14.26 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 177.976 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.21 20.25 2.5 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 114.142 -1.39 . . . . 0.0 110.926 -178.367 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.436 ' HD1' ' OG ' ' A' ' 44' ' ' SER . 51.7 t80 63.29 88.66 0.1 Allowed 'General case' 0 C--O 1.231 0.107 0 CA-C-N 115.601 -0.3 . . . . 0.0 110.449 -179.589 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.522 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -158.56 52.0 0.41 Allowed 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -179.611 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.801 ' HE2' ' HG2' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -111.98 150.5 30.48 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 177.398 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -142.86 153.27 43.0 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 -177.415 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.471 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 108.78 36.73 2.16 Favored Glycine 0 C--N 1.338 0.693 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.919 179.354 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.511 ' N ' ' CE1' ' A' ' 43' ' ' HIS . 5.5 mttt 33.96 86.24 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.008 0.432 . . . . 0.0 111.133 -179.028 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.439 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 49.28 55.62 9.06 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.249 -178.194 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.591 ' H ' ' HE2' ' A' ' 43' ' ' HIS . 0.9 OUTLIER -81.24 153.7 27.01 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.631 -179.831 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.546 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.9 m -52.0 -59.28 4.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.876 179.693 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.16 -22.92 1.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.523 -179.513 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.699 ' HB3' ' HB3' ' A' ' 12' ' ' LYS . 9.7 mm-40 -84.05 -48.14 10.21 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.861 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.546 ' HG2' ' HA ' ' A' ' 18' ' ' THR . 1.4 pt-20 -62.87 -29.64 70.9 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.878 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.46 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -78.07 -40.24 39.16 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.476 179.156 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.801 ' HG2' ' HE2' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -49.85 -56.9 8.67 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.746 0.784 . . . . 0.0 109.15 178.766 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.558 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -66.54 -29.8 69.96 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.756 -1.111 . . . . 0.0 111.236 179.588 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.531 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -72.13 -77.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.205 -0.452 . . . . 0.0 112.094 -179.522 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.9 p -48.98 -31.74 7.97 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.754 0.649 . . . . 0.0 112.754 -178.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.577 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 4.6 mp -85.41 -34.51 21.69 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.294 -179.503 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.627 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -120.32 106.08 40.99 Favored Pre-proline 0 CA--C 1.531 0.237 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.805 -179.236 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -82.82 90.05 1.08 Allowed 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.373 2.049 . . . . 0.0 112.058 179.451 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.635 ' HE ' ' HG2' ' A' ' 4' ' ' LYS . 4.5 mmt180 -141.51 -173.17 3.69 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.261 0.553 . . . . 0.0 111.996 -179.067 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -107.28 -49.95 0.84 Allowed Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.143 178.79 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.486 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 27.7 mm-40 -82.61 12.54 4.54 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.535 0.683 . . . . 0.0 109.505 178.687 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.627 ' SG ' ' HB2' ' A' ' 28' ' ' TYR . 12.4 t -105.02 116.96 32.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.803 -1.089 . . . . 0.0 110.499 -179.571 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.425 HG23 ' N ' ' A' ' 35' ' ' CYS . 14.0 t -167.37 -138.26 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.419 -179.571 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.425 ' N ' HG23 ' A' ' 34' ' ' THR . 13.6 t -98.17 137.35 37.07 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 121.826 -0.547 . . . . 0.0 111.314 -179.546 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.489 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -136.64 105.21 5.8 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.583 179.848 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.407 ' HB2' ' CG ' ' A' ' 43' ' ' HIS . 1.4 t70 -130.96 114.94 15.85 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.783 -179.914 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.2 t -150.74 14.27 0.74 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.924 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -110.28 -75.5 0.62 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.196 -179.641 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.3 ttm -150.42 -150.92 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.392 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -59.78 -19.67 51.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.712 179.488 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.22 140.63 37.56 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.39 0.614 . . . . 0.0 111.575 179.822 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.682 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 7.2 p-80 -151.2 -176.04 5.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.47 -179.76 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.587 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 90.2 p -154.88 -145.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 121.082 -0.247 . . . . 0.0 110.393 177.352 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.633 ' H ' HG23 ' A' ' 7' ' ' THR . 44.8 t -113.79 171.03 7.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.547 0.213 . . . . 0.0 110.791 179.53 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.443 ' HB2' ' HG ' ' A' ' 36' ' ' SER . 6.8 t70 -150.38 48.17 0.89 Allowed 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -179.635 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.568 ' HB2' ' HB2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -59.88 -30.25 68.87 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.159 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -121.29 137.68 54.58 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.234 -1.348 . . . . 0.0 110.118 179.619 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.6 92.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.049 -179.829 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.415 ' N ' ' O ' ' A' ' 48' ' ' LYS . 31.8 p . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.885 -179.563 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 . . . . . 0 N--CA 1.485 1.281 0 CA-C-O 120.806 0.336 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.9 mt -103.83 94.39 5.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.22 -167.96 1.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.864 ' HD2' ' HB2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -106.37 -106.93 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.883 -179.858 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.96 34.02 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.483 0.183 . . . . 0.0 111.168 -179.897 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.749 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 25.4 p -46.51 114.18 0.77 Allowed 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.377 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.592 ' HA ' ' NZ ' ' A' ' 12' ' ' LYS . 0.4 OUTLIER 59.7 147.83 0.01 OUTLIER 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.416 0.627 . . . . 0.0 112.634 179.367 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -99.57 33.3 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 177.716 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.499 ' H ' ' HG1' ' A' ' 7' ' ' THR . . . 97.17 38.44 4.31 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 110.074 -1.21 . . . . 0.0 110.074 -177.694 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.543 ' HE1' ' HA ' ' A' ' 43' ' ' HIS . 0.2 OUTLIER 65.03 81.44 0.21 Allowed 'General case' 0 CA--C 1.521 -0.14 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -178.154 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.506 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -130.99 41.87 3.3 Favored 'General case' 0 N--CA 1.457 -0.104 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 -177.699 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.836 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 3.3 mptt -132.47 154.86 49.48 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.292 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.504 ' HB3' HG22 ' A' ' 42' ' ' THR . 0.2 OUTLIER -151.82 157.0 41.33 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -178.534 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 95.2 56.22 1.3 Allowed Glycine 0 C--N 1.338 0.676 0 CA-C-N 115.619 -0.718 . . . . 0.0 113.481 179.088 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 14' ' ' GLY . 1.2 mttp 21.93 86.66 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 122.93 0.492 . . . . 0.0 111.835 179.896 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 51.29 64.35 1.88 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.401 0.619 . . . . 0.0 110.109 -178.655 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.516 ' H ' ' HE2' ' A' ' 43' ' ' HIS . 0.9 OUTLIER -83.08 153.09 25.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.008 -179.425 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.8 m -54.26 -56.93 13.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.874 0.368 . . . . 0.0 110.254 179.356 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.19 -20.61 2.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.904 -179.937 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.836 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -80.52 -50.41 10.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.388 179.68 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.691 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 3.4 pt-20 -61.0 -38.94 87.82 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.226 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.569 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -68.87 -41.15 78.79 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.293 179.174 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.505 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -49.8 -40.25 41.09 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.784 0.802 . . . . 0.0 108.953 178.718 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 61.0 m -72.3 -34.86 68.44 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 114.43 -1.259 . . . . 0.0 112.015 -179.832 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.691 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 9.6 mmpt? -73.96 -63.07 1.29 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.81 0.338 . . . . 0.0 111.761 -179.219 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.6 p -55.03 -43.68 73.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.487 -178.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.505 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 6.2 mp -86.02 -40.14 16.1 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -178.55 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.502 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.3 OUTLIER -112.36 112.29 51.97 Favored Pre-proline 0 CA--C 1.534 0.344 0 C-N-CA 120.671 -0.412 . . . . 0.0 112.077 -178.202 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -89.01 90.24 0.4 Allowed 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.695 2.263 . . . . 0.0 111.632 178.854 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.755 ' HD2' ' HG2' ' A' ' 4' ' ' LYS . 4.1 mmt180 -142.17 -174.28 4.06 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.404 0.621 . . . . 0.0 112.265 -178.916 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -113.27 -35.73 1.58 Allowed Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.046 178.692 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.426 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 0.6 OUTLIER -96.04 14.72 22.82 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.382 0.611 . . . . 0.0 109.65 178.788 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.658 ' HB2' ' HB2' ' A' ' 30' ' ' ARG . 15.4 t -99.66 133.05 44.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.097 179.896 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 33' ' ' CYS . 11.5 t -176.11 -144.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.123 -179.337 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -97.58 135.68 39.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.134 0.493 . . . . 0.0 111.423 -179.323 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.489 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 3.2 t -141.71 123.45 15.18 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.089 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.444 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 19.5 t70 -125.05 155.89 39.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.749 179.901 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.12 -73.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.877 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.03 40.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.669 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.9 mtm -145.83 -179.13 6.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -72.63 -30.79 64.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 -179.86 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.504 HG22 ' HB3' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -99.78 140.22 34.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.332 0.587 . . . . 0.0 111.742 -179.769 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.619 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 8.8 p-80 -150.58 -177.48 6.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.153 179.839 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.685 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 25.3 p -153.65 -142.97 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.4 178.108 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.527 ' N ' HG21 ' A' ' 7' ' ' THR . 0.1 OUTLIER -99.77 176.68 5.37 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -178.21 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.464 ' HB2' ' CB ' ' A' ' 36' ' ' SER . 4.5 t70 -151.83 25.45 0.65 Allowed 'General case' 0 C--O 1.231 0.109 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.145 179.569 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.475 ' HB3' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -54.26 -24.64 19.59 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.371 0.605 . . . . 0.0 109.976 179.415 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.864 ' HB2' ' HD2' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -133.86 128.97 35.74 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.377 -179.76 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.31 85.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.503 179.807 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 48' ' ' LYS . 6.8 p . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.959 -179.534 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.778 0.323 . . . . 0.0 111.341 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 mt -153.11 4.25 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.054 179.882 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.6 ttm -144.89 109.49 4.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.979 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.498 ' HG2' ' HB3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -122.99 -151.71 0.49 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.867 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -150.25 77.25 1.3 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.807 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.699 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 20.1 p -40.36 111.0 0.17 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.231 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.672 HG21 ' H ' ' A' ' 45' ' ' CYS . 0.8 OUTLIER 62.02 150.16 0.02 OUTLIER 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.239 0.542 . . . . 0.0 111.691 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.555 ' HD2' ' OH ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -99.39 35.2 2.0 Allowed 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.752 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.76 18.48 6.93 Favored Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.969 -178.74 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.404 ' HA ' ' CB ' ' A' ' 44' ' ' SER . 1.1 t80 58.93 78.03 0.28 Allowed 'General case' 0 N--CA 1.457 -0.084 0 CA-C-N 115.668 -0.266 . . . . 0.0 110.336 -179.569 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.459 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -149.09 54.98 0.98 Allowed 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -179.266 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.703 ' HE3' ' HG2' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -112.46 157.47 21.05 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.35 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.416 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -145.7 158.82 43.81 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -178.398 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.533 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 92.27 64.07 1.13 Allowed Glycine 0 C--N 1.337 0.622 0 CA-C-N 115.344 -0.844 . . . . 0.0 112.827 179.739 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.533 ' C ' ' O ' ' A' ' 14' ' ' GLY . 14.1 mtmt 5.51 91.51 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.309 0.644 . . . . 0.0 112.087 -179.561 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.407 ' H ' ' NE2' ' A' ' 43' ' ' HIS . 4.0 t 54.71 68.43 0.86 Allowed 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.532 -178.329 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.624 HG21 ' H ' ' A' ' 20' ' ' GLU . 0.6 OUTLIER -93.34 158.15 15.88 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.213 -178.775 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.569 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 4.6 m -55.84 -71.89 0.08 Allowed 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.123 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -42.29 -23.72 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.722 -179.924 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.67 ' OE1' ' HB2' ' A' ' 35' ' ' CYS . 2.0 tm-20 -77.38 -64.5 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.266 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.569 ' HG2' ' O ' ' A' ' 18' ' ' THR . 8.7 pt-20 -52.16 -30.82 28.59 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.677 0.751 . . . . 0.0 109.007 178.41 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.37 -42.51 53.88 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.295 179.366 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.703 ' HG2' ' HE3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -45.6 -47.55 14.66 Favored 'General case' 0 CA--C 1.519 -0.235 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 178.57 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.59 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 2.9 m -59.86 -54.57 44.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.641 -1.163 . . . . 0.0 111.027 178.631 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.562 ' HE3' ' HB2' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -65.38 -78.78 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -179.19 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.451 ' OG1' HD12 ' A' ' 27' ' ' LEU . 73.7 p -34.71 -43.41 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -178.848 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.57 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.4 mp -86.01 -33.91 20.93 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.734 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.555 ' OH ' ' HD2' ' A' ' 8' ' ' ARG . 0.3 OUTLIER -121.84 132.39 24.25 Favored Pre-proline 0 CA--C 1.529 0.148 0 C-N-CA 120.418 -0.513 . . . . 0.0 112.001 -177.986 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -86.59 62.85 4.66 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.691 2.261 . . . . 0.0 110.174 177.589 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.866 ' HD2' ' HB3' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -84.23 -170.69 3.22 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -177.537 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -147.35 -27.68 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 114.061 -1.427 . . . . 0.0 111.031 179.204 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -112.68 19.51 17.38 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.084 0.469 . . . . 0.0 110.24 179.28 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.866 ' HB3' ' HD2' ' A' ' 30' ' ' ARG . 7.2 t -105.03 172.05 6.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.958 -179.745 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.618 ' HB ' ' O ' ' A' ' 33' ' ' CYS . 15.1 t 163.67 -142.95 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.346 0 O-C-N 123.892 0.745 . . . . 0.0 110.291 179.323 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.67 ' HB2' ' OE1' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -96.8 125.47 41.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.995 0.426 . . . . 0.0 110.641 -179.899 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.42 111.64 10.92 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.193 -179.701 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.45 ' HA ' ' HB3' ' A' ' 43' ' ' HIS . 0.9 OUTLIER -109.28 164.8 12.14 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.638 179.803 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 m -111.57 -75.45 0.61 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.4 30.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.634 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 9.9 mtp -141.84 178.87 7.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.766 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -71.78 -18.21 62.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.64 142.06 38.18 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.367 0.603 . . . . 0.0 111.411 179.749 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.616 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.9 p-80 -151.25 -170.1 3.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.187 -179.806 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.545 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 87.7 p -153.7 -148.03 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.964 177.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.672 ' H ' HG21 ' A' ' 7' ' ' THR . 57.8 m -105.0 178.72 4.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.001 0.429 . . . . 0.0 111.568 -179.49 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -150.44 44.56 0.87 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.848 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.401 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 1.8 m -65.3 -21.8 66.76 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 121.46 0.648 . . . . 0.0 110.524 179.628 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.699 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -135.2 152.68 51.8 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.625 -179.263 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.9 p -75.99 39.44 0.18 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.465 ' H ' ' C ' ' A' ' 48' ' ' LYS . 5.4 p . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.882 179.859 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.738 0.304 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 62.08 -87.65 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.05 -179.904 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.97 -179.2 6.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.998 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.803 ' HD2' ' HB3' ' A' ' 28' ' ' TYR . 0.6 OUTLIER -142.84 148.69 37.49 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.409 179.883 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.658 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -102.94 86.73 2.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.996 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.673 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 16.5 p -50.87 141.93 12.53 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.84 179.776 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.714 ' H ' ' HB2' ' A' ' 45' ' ' CYS . 0.9 OUTLIER 61.0 149.9 0.02 OUTLIER 'General case' 0 C--O 1.231 0.087 0 CA-C-O 121.41 0.624 . . . . 0.0 112.192 179.665 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.549 ' CZ ' HD13 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -99.88 32.51 2.88 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 178.466 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.6 18.69 8.8 Favored Glycine 0 N--CA 1.444 -0.806 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.554 -178.093 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.429 ' HA ' ' CB ' ' A' ' 44' ' ' SER . 0.4 OUTLIER 63.85 86.8 0.12 Allowed 'General case' 0 C--O 1.231 0.114 0 CA-C-N 115.383 -0.408 . . . . 0.0 110.458 -179.403 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -152.9 47.89 0.71 Allowed 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -179.527 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.663 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 1.8 mptt -110.31 154.49 23.41 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 177.758 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -149.97 154.99 39.16 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 -177.945 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.494 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 104.78 45.32 1.41 Allowed Glycine 0 C--N 1.336 0.556 0 CA-C-N 115.12 -0.945 . . . . 0.0 113.27 179.28 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.472 ' N ' ' HE1' ' A' ' 43' ' ' HIS . 0.0 OUTLIER 30.17 81.01 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 120.922 0.392 . . . . 0.0 111.173 -179.738 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.468 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 52.99 56.13 7.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.272 -178.623 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.552 HG21 ' N ' ' A' ' 18' ' ' THR . 0.9 OUTLIER -78.83 153.77 30.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.756 -179.69 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.552 ' N ' HG21 ' A' ' 17' ' ' THR . 1.2 m -52.15 -54.79 26.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.758 179.631 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.1 -24.99 4.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.285 -179.718 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.522 ' HG2' ' HB ' ' A' ' 17' ' ' THR . 5.9 mm-40 -80.29 -47.9 13.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.691 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.519 ' HG3' ' N ' ' A' ' 22' ' ' GLU . 2.8 pt-20 -63.42 -35.08 79.23 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.793 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.519 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -66.33 -41.46 89.57 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.131 178.503 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.635 ' HE2' ' HG3' ' A' ' 12' ' ' LYS . 0.5 OUTLIER -51.75 -65.64 0.52 Allowed 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.393 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.538 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 13.4 m -49.55 -28.76 5.94 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.608 -0.723 . . . . 0.0 112.272 179.688 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -73.52 0.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -179.619 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.5 p -59.06 -21.45 59.16 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -179.131 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.61 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 4.5 mm? -85.34 -43.32 13.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.777 0.322 . . . . 0.0 111.19 -179.839 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.803 ' HB3' ' HD2' ' A' ' 4' ' ' LYS . 1.5 m-85 -131.53 111.86 15.15 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.307 -178.246 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -80.92 59.93 7.67 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.52 2.147 . . . . 0.0 111.636 179.384 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.454 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -101.8 166.19 10.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.99 -178.945 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -95.85 -13.29 50.64 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 178.261 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -119.75 16.86 12.74 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.031 0.443 . . . . 0.0 110.277 179.404 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.569 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 33.7 t -99.69 131.76 45.48 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.335 179.724 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.516 HG22 ' N ' ' A' ' 35' ' ' CYS . 6.6 t -172.84 -150.89 0.05 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.977 -179.177 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.516 ' N ' HG22 ' A' ' 34' ' ' THR . 0.6 OUTLIER -97.19 125.59 41.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.074 0.464 . . . . 0.0 111.158 -179.449 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.3 t -126.81 130.76 50.88 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.744 179.83 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -147.27 165.1 31.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.685 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.7 t -109.19 -70.46 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.646 179.83 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -169.63 49.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.544 179.848 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.3 mtt -141.0 -176.44 4.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -82.18 -25.18 34.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.042 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.34 143.18 34.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.504 0.669 . . . . 0.0 111.97 -179.769 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.663 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 2.8 p-80 -150.97 -174.22 4.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.849 -1.069 . . . . 0.0 108.673 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.593 ' HB2' ' HZ2' ' A' ' 12' ' ' LYS . 78.8 p -154.16 -137.39 0.07 Allowed 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.216 177.516 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.714 ' HB2' ' H ' ' A' ' 7' ' ' THR . 59.6 m -110.42 173.5 6.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.139 0.495 . . . . 0.0 112.031 -178.932 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -150.59 37.24 0.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.584 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.569 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -57.33 -23.35 48.25 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.724 179.829 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.673 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -142.34 164.38 30.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.249 -179.451 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.9 p -78.65 48.14 0.78 Allowed 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 114.53 -1.214 . . . . 0.0 110.996 -179.783 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.846 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.1 m120 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.83 0.348 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.4 tp -152.95 118.48 5.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.905 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.414 ' HB2' ' HZ2' ' A' ' 4' ' ' LYS . 0.8 OUTLIER -106.84 -63.56 1.27 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.982 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.733 ' HG2' ' HD2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -120.32 -163.94 1.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.876 -179.965 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.423 ' HE ' ' HB3' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -153.61 93.73 1.71 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.116 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.491 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 1.3 p -51.77 124.61 12.88 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.936 179.767 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.851 ' HB ' ' H ' ' A' ' 45' ' ' CYS . 10.4 t 45.96 164.97 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 179.795 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.674 ' HD2' HD23 ' A' ' 27' ' ' LEU . 22.3 mtp85 -99.6 47.34 0.95 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.382 179.356 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.32 38.55 7.16 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 -178.438 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.534 ' HA ' ' CB ' ' A' ' 44' ' ' SER . 11.5 t80 65.35 94.72 0.06 Allowed 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.3 -0.45 . . . . 0.0 109.914 -179.145 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.494 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -148.24 51.75 1.02 Allowed 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -178.23 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.799 ' HD3' ' HA ' ' A' ' 44' ' ' SER . 0.0 OUTLIER -134.75 151.79 51.25 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.875 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.496 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.3 OUTLIER -151.01 154.6 37.37 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -178.449 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.49 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 100.27 53.29 1.09 Allowed Glycine 0 C--N 1.34 0.79 0 CA-C-N 115.85 -0.613 . . . . 0.0 113.626 179.168 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.503 ' N ' ' HE1' ' A' ' 43' ' ' HIS . 0.0 OUTLIER 25.66 81.94 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.024 0.44 . . . . 0.0 111.775 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.437 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.6 OUTLIER 52.98 52.74 13.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.436 0.636 . . . . 0.0 109.943 -178.771 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.496 ' HB ' ' O ' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -73.46 158.6 34.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.05 -179.549 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.524 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.3 m -53.71 -53.6 49.78 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.217 179.266 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.64 -23.24 2.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.099 179.925 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.684 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -79.35 -52.43 8.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.198 179.461 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.524 ' HG2' ' O ' ' A' ' 18' ' ' THR . 13.4 pt-20 -63.18 -24.06 67.71 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.64 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.13 -44.54 21.81 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.776 179.001 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.638 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -46.15 -43.6 15.17 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 121.551 0.691 . . . . 0.0 109.262 178.328 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.558 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 66.4 m -71.53 -45.04 63.47 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.669 -1.15 . . . . 0.0 112.878 -179.464 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.532 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -70.1 -60.24 2.41 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -178.323 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.8 p -61.59 -46.05 91.52 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -178.702 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.674 HD23 ' HD2' ' A' ' 8' ' ' ARG . 6.2 mp -86.07 -37.27 19.03 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -178.238 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.558 ' CD2' ' HA ' ' A' ' 24' ' ' CYS . 0.2 OUTLIER -115.74 78.78 7.2 Favored Pre-proline 0 CA--C 1.531 0.233 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.897 -177.733 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -58.29 90.58 0.06 OUTLIER 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.101 1.867 . . . . 0.0 111.727 179.273 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.733 ' HD2' ' HG2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -137.93 -174.54 3.81 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 121.492 0.663 . . . . 0.0 112.336 -178.912 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -115.79 -34.49 1.39 Allowed Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 114.881 -1.054 . . . . 0.0 111.189 178.818 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -100.02 14.81 29.34 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.365 0.602 . . . . 0.0 109.871 178.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.587 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 32.2 t -99.65 128.45 45.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.718 179.765 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.451 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 6.4 t -166.12 -154.73 0.2 Allowed 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.805 -178.942 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.535 ' HB2' ' HG3' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -96.21 135.35 38.14 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.344 0.592 . . . . 0.0 112.11 -178.287 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.2 t -146.42 123.81 11.65 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.539 179.78 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.24 154.5 20.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.163 -179.515 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.4 t -150.08 -37.41 0.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.606 179.845 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.446 ' HB3' ' H ' ' A' ' 40' ' ' MET . 5.3 mmtp -82.81 -133.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.722 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.446 ' H ' ' HB3' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -99.73 -104.79 0.22 Allowed 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 120.651 0.263 . . . . 0.0 110.653 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -82.4 -15.6 52.11 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.906 0.384 . . . . 0.0 110.421 179.557 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.486 ' HB ' ' CZ ' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -99.86 141.53 32.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.292 0.568 . . . . 0.0 111.092 179.626 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.57 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.7 p-80 -149.57 -176.33 5.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.192 -179.631 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.799 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 30.0 p -153.3 -158.98 0.93 Allowed 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.182 -0.607 . . . . 0.0 111.286 178.458 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.851 ' H ' ' HB ' ' A' ' 7' ' ' THR . 0.9 OUTLIER -99.66 167.31 10.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.146 0.498 . . . . 0.0 112.083 -178.638 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -150.43 41.47 0.8 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.961 179.697 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.587 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -54.56 -25.63 27.22 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.395 0.617 . . . . 0.0 109.965 179.353 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.491 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.9 OUTLIER -128.55 133.32 48.36 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.363 179.894 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.43 91.84 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.071 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 20.0 p . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.853 -179.734 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.68 0.276 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 mt 58.85 95.73 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.2 mmm -129.01 -34.11 1.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.809 179.881 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.931 ' HG3' ' HB3' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -115.84 -30.27 6.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.863 179.727 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.488 ' N ' ' HG2' ' A' ' 4' ' ' LYS . 38.0 ttm105 64.26 74.0 0.42 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.826 179.565 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.665 ' HA ' ' HB2' ' A' ' 47' ' ' CYS . 2.2 p -46.84 146.16 1.72 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.581 179.139 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.707 HG22 ' HG ' ' A' ' 44' ' ' SER . 1.0 OUTLIER 61.43 141.34 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.213 0.53 . . . . 0.0 111.816 179.935 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.69 ' HD2' ' OH ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -99.37 45.78 0.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 179.042 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.11 11.75 15.36 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.187 -178.824 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.3 t80 57.76 79.91 0.19 Allowed 'General case' 0 C--O 1.232 0.151 0 N-CA-C 110.503 -0.184 . . . . 0.0 110.503 -179.885 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.82 55.4 0.84 Allowed 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -179.339 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.795 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 5.2 mptt -105.4 155.43 19.13 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.179 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.409 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -145.38 148.64 33.58 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.32 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.478 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 102.8 44.8 1.73 Allowed Glycine 0 C--N 1.338 0.64 0 CA-C-N 115.515 -0.766 . . . . 0.0 113.481 179.123 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.529 ' N ' ' CE1' ' A' ' 43' ' ' HIS . 0.6 OUTLIER 30.64 87.14 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 122.777 0.431 . . . . 0.0 111.589 -179.629 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 49.56 48.74 21.02 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-O 121.582 0.706 . . . . 0.0 109.573 -178.564 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.492 HG23 ' N ' ' A' ' 18' ' ' THR . 0.6 OUTLIER -70.1 160.01 32.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.519 -179.092 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.569 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -55.73 -53.53 55.47 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.358 179.23 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.423 ' H ' HG23 ' A' ' 17' ' ' THR . 0.2 OUTLIER -52.36 -25.88 10.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 -179.918 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.795 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -79.71 -46.97 16.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.526 179.68 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.678 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 7.5 pt-20 -64.58 -30.71 71.74 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 178.606 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.6 -45.08 69.41 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.894 -1.048 . . . . 0.0 109.421 178.58 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.701 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -50.32 -36.68 32.95 Favored 'General case' 0 C--O 1.219 -0.508 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.14 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.543 ' SG ' ' O ' ' A' ' 34' ' ' THR . 90.0 m -68.97 -37.86 79.04 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.123 -0.944 . . . . 0.0 112.305 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.661 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -81.63 -64.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 -179.107 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.1 p -51.86 -36.55 48.81 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -179.331 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.701 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 0.7 OUTLIER -82.83 -40.7 20.0 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.657 0.265 . . . . 0.0 111.526 -179.284 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.69 ' OH ' ' HD2' ' A' ' 8' ' ' ARG . 1.3 m-85 -129.51 134.24 26.01 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.785 -177.039 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -91.09 24.26 0.58 Allowed 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 122.921 2.414 . . . . 0.0 111.76 179.036 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.612 ' CB ' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -66.16 157.93 30.02 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -178.766 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -99.28 -19.42 21.07 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 109.396 -1.482 . . . . 0.0 109.396 177.05 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -102.85 19.08 20.01 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 114.634 -0.783 . . . . 0.0 109.507 178.77 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.612 ' HB2' ' CB ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -98.65 143.54 28.92 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.714 179.888 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.543 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 1.3 t -177.83 -169.13 0.2 Allowed 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.191 -179.115 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.4 p -96.04 133.17 40.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.119 0.485 . . . . 0.0 111.715 -178.682 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.533 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -139.46 127.38 22.18 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.333 -179.517 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.477 ' OD2' ' HE2' ' A' ' 15' ' ' LYS . 22.3 t70 -128.88 139.73 52.01 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.435 179.537 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.9 t -150.15 15.27 0.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.233 -179.762 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.477 ' HB3' ' H ' ' A' ' 40' ' ' MET . 0.0 OUTLIER -115.18 -100.87 0.43 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.372 -179.674 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.477 ' H ' ' HB3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -132.28 -86.22 0.47 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.917 0.389 . . . . 0.0 110.14 -179.871 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -110.42 -20.94 12.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.771 178.938 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -99.84 138.62 36.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.431 0.634 . . . . 0.0 111.072 179.634 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.598 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 5.3 p-80 -150.98 -166.62 2.59 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.95 -1.023 . . . . 0.0 108.981 -179.218 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.707 ' HG ' HG22 ' A' ' 7' ' ' THR . 88.6 p -154.18 -151.49 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.422 -0.511 . . . . 0.0 111.01 177.213 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.495 ' HB3' ' H ' ' A' ' 7' ' ' THR . 3.8 t -99.19 174.57 6.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.366 0.603 . . . . 0.0 112.176 -179.046 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.412 ' HB2' ' HB2' ' A' ' 36' ' ' SER . 12.4 t70 -142.54 37.95 1.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.692 179.316 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.931 ' HB3' ' HG3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -49.59 -27.33 4.38 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.163 179.385 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.654 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -126.1 -177.0 3.8 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.706 -179.6 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.556 ' H ' ' HE3' ' A' ' 48' ' ' LYS . 0.5 OUTLIER -80.42 49.29 1.13 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.834 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.852 -179.955 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 6.5 m120 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.891 0.376 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.52 10.22 41.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.735 179.915 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.85 -171.64 3.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.005 -179.877 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.666 ' HD3' ' N ' ' A' ' 5' ' ' ARG . 0.4 OUTLIER -153.7 147.79 25.67 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.445 179.99 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.666 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -105.37 104.87 14.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.038 0.446 . . . . 0.0 111.221 -179.64 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.616 ' HB2' ' HA ' ' A' ' 46' ' ' ASP . 7.2 p -50.48 145.43 6.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.919 -179.928 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.56 HG23 ' HG ' ' A' ' 44' ' ' SER . 1.1 p 59.36 143.02 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 178.829 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.664 ' HD2' ' OH ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -99.75 31.12 3.35 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 177.997 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.63 12.34 4.62 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 114.464 -1.244 . . . . 0.0 110.912 -178.529 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.2 t80 59.71 84.6 0.11 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.554 -0.323 . . . . 0.0 110.672 -179.737 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.02 60.34 0.47 Allowed 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -179.567 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.667 ' HE2' ' H ' ' A' ' 45' ' ' CYS . 0.4 OUTLIER -113.21 154.83 26.09 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 178.206 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.469 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -150.45 153.61 36.23 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -178.312 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.437 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 104.02 44.46 1.62 Allowed Glycine 0 C--N 1.338 0.65 0 CA-C-N 115.419 -0.81 . . . . 0.0 113.624 178.948 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.487 ' N ' ' HE1' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 30.59 84.49 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 122.502 0.321 . . . . 0.0 111.443 179.923 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.6 t 53.51 49.07 20.34 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.374 0.607 . . . . 0.0 109.727 -178.698 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.515 HG23 ' N ' ' A' ' 18' ' ' THR . 0.7 OUTLIER -71.79 155.69 40.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.366 -179.217 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.576 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -53.39 -52.93 57.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.403 179.458 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.4 -29.2 14.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.737 -179.898 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.642 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -73.18 -49.78 26.19 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.432 179.772 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.617 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 4.9 pt-20 -65.7 -29.06 69.54 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.815 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.01 -36.88 72.61 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.066 178.518 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.656 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -55.21 -64.51 0.82 Allowed 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.454 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.671 ' SG ' ' HB3' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -49.83 -33.84 18.0 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.421 179.788 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.487 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -75.07 -83.63 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -178.878 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.5 p -47.29 -28.92 2.16 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.782 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.656 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 2.0 mm? -81.01 -38.1 28.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 111.058 -179.837 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.664 ' OH ' ' HD2' ' A' ' 8' ' ' ARG . 1.3 m-85 -135.2 117.1 12.37 Favored Pre-proline 0 N--CA 1.454 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.221 -177.791 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.518 ' O ' ' HD2' ' A' ' 30' ' ' ARG . 4.3 Cg_exo -78.18 85.48 1.81 Allowed 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.679 2.253 . . . . 0.0 111.842 179.533 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.551 ' HG3' ' SG ' ' A' ' 33' ' ' CYS . 18.4 mmm180 -132.3 -165.86 1.65 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.415 0.626 . . . . 0.0 112.001 -179.387 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -128.47 -26.92 0.93 Allowed Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 114.935 -1.03 . . . . 0.0 111.374 179.021 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -99.98 9.91 42.15 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.353 0.597 . . . . 0.0 110.241 179.231 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.671 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 84.4 m -101.9 136.85 41.03 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.099 179.678 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.407 ' HB ' ' O ' ' A' ' 33' ' ' CYS . 12.8 t -175.34 -132.68 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.749 -179.54 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -98.99 140.56 32.96 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-O 121.056 0.455 . . . . 0.0 111.719 -179.147 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.446 ' CB ' ' HB2' ' A' ' 46' ' ' ASP . 6.3 t -141.6 105.36 4.72 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.428 179.401 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -110.6 154.2 24.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.85 -179.73 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.23 -75.97 0.58 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.933 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.0 tptm -169.31 30.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.597 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -141.75 176.53 8.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.955 -179.815 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -65.53 -31.32 72.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.169 -179.906 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.76 142.33 31.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.492 0.663 . . . . 0.0 111.388 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.592 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 5.1 p-80 -150.68 -168.07 3.0 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.985 -1.007 . . . . 0.0 108.906 -179.835 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.603 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 45.4 p -152.68 -174.28 4.86 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.818 177.731 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.667 ' H ' ' HE2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -99.84 127.73 45.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.437 -179.174 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.616 ' HA ' ' HB2' ' A' ' 6' ' ' CYS . 6.6 t70 -99.49 61.33 1.18 Allowed 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.262 0.554 . . . . 0.0 110.379 179.5 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.449 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 2.0 t -49.93 -31.41 12.31 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.235 179.236 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.526 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -145.48 134.55 22.69 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.323 -1.308 . . . . 0.0 110.445 -179.735 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.29 94.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.345 -179.889 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.919 -179.805 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.643 0.258 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mt 61.11 -84.06 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.104 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.499 ' HA ' ' HE3' ' A' ' 4' ' ' LYS . 1.7 ptt? -62.22 155.61 24.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.621 ' HD3' ' HA3' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -94.87 -89.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.836 179.905 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.432 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 1.8 ptm180 179.99 47.48 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 111.38 0.141 . . . . 0.0 111.38 -179.94 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.698 ' HB3' ' N ' ' A' ' 48' ' ' LYS . 30.4 p -41.01 112.73 0.32 Allowed 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.54 ' HA ' ' HH ' ' A' ' 28' ' ' TYR . 1.6 p 57.14 135.13 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.286 0.565 . . . . 0.0 112.324 179.472 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.705 ' HE ' ' HD2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -99.89 29.81 4.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.615 0.722 . . . . 0.0 109.157 178.889 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 135.45 7.51 1.9 Allowed Glycine 0 N--CA 1.446 -0.684 0 CA-C-N 114.613 -1.176 . . . . 0.0 111.136 -179.136 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.4 t80 57.47 86.04 0.08 Allowed 'General case' 0 C--O 1.231 0.112 0 CA-C-N 115.785 -0.208 . . . . 0.0 110.584 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.458 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -157.56 57.76 0.5 Allowed 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -179.632 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.647 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -110.16 159.01 17.74 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 177.55 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.418 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -150.6 158.47 44.19 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 -178.303 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.475 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 101.82 49.91 1.22 Allowed Glycine 0 C--N 1.34 0.769 0 CA-C-N 115.189 -0.914 . . . . 0.0 113.622 179.043 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 14' ' ' GLY . 10.9 mttt 23.29 83.8 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 122.828 0.451 . . . . 0.0 111.539 -179.914 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.404 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 23.1 t 54.85 55.19 8.09 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.306 0.574 . . . . 0.0 109.89 -178.408 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.522 HG21 ' H ' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -77.13 151.54 35.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.028 -179.351 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.567 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -55.19 -52.91 61.84 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.088 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.02 -22.39 5.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.832 179.795 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.662 ' HG3' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -79.85 -49.45 11.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.254 179.51 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.662 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 5.4 pt-20 -63.7 -27.99 69.59 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 178.526 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.06 -34.17 43.96 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 114.684 -1.144 . . . . 0.0 110.356 179.313 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.705 ' HD2' ' HE ' ' A' ' 8' ' ' ARG . 2.4 ttpt -60.46 -35.39 75.76 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.238 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.542 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 2.6 m -78.24 -37.68 44.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.103 -179.587 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.55 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -77.03 -31.87 56.62 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.104 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.442 ' OG1' HD21 ' A' ' 27' ' ' LEU . 68.4 p -85.46 -37.6 19.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.674 -179.6 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.545 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -85.19 -43.51 13.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.152 0.501 . . . . 0.0 110.41 -179.899 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.546 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -110.1 161.57 23.88 Favored Pre-proline 0 C--N 1.333 -0.143 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.561 -177.915 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.432 ' HD2' ' HB3' ' A' ' 4' ' ' LYS . 52.7 Cg_endo -74.81 -67.35 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 122.104 1.869 . . . . 0.0 113.235 -179.754 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.535 ' O ' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -178.73 -135.96 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.935 0.398 . . . . 0.0 111.47 -178.548 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.621 ' HA3' ' HD3' ' A' ' 4' ' ' LYS . . . 69.6 76.79 0.47 Allowed Glycine 0 C--N 1.336 0.579 0 N-CA-C 111.612 -0.595 . . . . 0.0 111.612 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 58.4 24.7 12.02 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -178.597 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.545 ' O ' ' HE3' ' A' ' 25' ' ' LYS . 7.6 t -98.98 125.45 44.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.591 -179.411 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.432 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 9.9 t 177.35 -131.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.17 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.465 ' HA ' ' OE2' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -98.05 129.25 44.9 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.955 -0.465 . . . . 0.0 110.77 179.959 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.476 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.1 OUTLIER -144.71 120.0 10.22 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.024 -179.717 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.503 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 24.9 t0 -135.05 155.51 50.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.629 179.919 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.6 t -99.92 -68.78 0.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.798 179.763 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.6 46.87 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.671 179.838 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.4 mtp -149.96 161.8 41.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.923 -179.825 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -59.52 -30.73 68.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.48 139.45 35.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.312 0.577 . . . . 0.0 111.399 179.863 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.639 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 7.1 p-80 -151.04 -173.04 4.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.466 -179.732 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.542 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 91.6 p -154.09 -148.79 0.26 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 177.524 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.446 ' SG ' ' HE2' ' A' ' 28' ' ' TYR . 2.4 m -108.46 174.44 5.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.745 0.307 . . . . 0.0 111.411 -179.873 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -142.59 39.3 1.53 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.287 -179.8 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.661 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -57.9 -22.05 46.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.6 0.714 . . . . 0.0 110.508 179.223 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.698 ' N ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -146.44 142.53 28.23 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.661 -179.288 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.45 87.23 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.848 -179.91 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 27.5 p . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.806 -179.756 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.76 0.314 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 mp -131.36 115.56 16.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.945 -179.901 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.638 ' HB3' ' HE3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -131.01 131.33 44.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.767 179.932 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.686 ' HD3' ' HA3' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -111.56 -87.71 0.53 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.915 179.922 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.467 ' HD3' ' HD3' ' A' ' 29' ' ' PRO . 6.1 ptm180 -179.74 44.82 0.0 OUTLIER 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.544 0.211 . . . . 0.0 111.191 -179.801 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.692 ' HA ' ' SG ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -44.0 135.31 4.26 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.71 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.569 ' HA ' ' NZ ' ' A' ' 12' ' ' LYS . 12.0 p 56.31 130.04 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 178.944 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.461 ' H ' ' HZ3' ' A' ' 12' ' ' LYS . 11.1 ttt-85 -101.15 31.26 3.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.293 -0.867 . . . . 0.0 108.67 178.258 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.2 5.99 4.98 Favored Glycine 0 N--CA 1.444 -0.778 0 CA-C-N 114.439 -1.255 . . . . 0.0 110.428 -178.29 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.451 ' CZ ' HG23 ' A' ' 7' ' ' THR . 2.7 m-85 61.52 76.19 0.38 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.298 -0.451 . . . . 0.0 110.86 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.564 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -156.39 76.71 0.91 Allowed 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 -179.636 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.769 ' HG3' ' HE2' ' A' ' 23' ' ' LYS . 9.1 mptt -124.79 146.99 48.95 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 177.648 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.3 156.08 43.59 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -177.744 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.453 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 105.9 37.21 2.59 Favored Glycine 0 C--N 1.337 0.625 0 CA-C-N 115.295 -0.866 . . . . 0.0 113.137 179.468 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.517 ' N ' ' CE1' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 35.84 85.6 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.85 0.357 . . . . 0.0 111.243 -179.421 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.436 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 50.53 51.97 15.78 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.438 0.637 . . . . 0.0 109.927 -178.61 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.577 ' H ' ' HE2' ' A' ' 43' ' ' HIS . 0.9 OUTLIER -77.12 154.98 32.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.098 -0.956 . . . . 0.0 111.014 -179.543 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.591 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 2.9 m -53.23 -56.61 15.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.824 179.538 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.73 -26.09 3.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.048 -179.83 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.637 ' HB3' ' HB3' ' A' ' 12' ' ' LYS . 5.0 mm-40 -81.86 -49.26 10.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.455 179.815 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.591 ' HG2' ' HA ' ' A' ' 18' ' ' THR . 5.4 pt-20 -60.42 -24.98 65.6 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.08 -1.082 . . . . 0.0 108.08 178.128 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.16 -53.88 9.88 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 114.613 -1.176 . . . . 0.0 109.048 178.291 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.769 ' HE2' ' HG3' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -42.61 -37.89 1.83 Allowed 'General case' 0 C--O 1.224 -0.27 0 CA-C-O 121.204 0.526 . . . . 0.0 110.177 178.573 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.586 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 2.8 m -72.34 -43.88 63.44 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -179.455 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.458 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -80.4 -50.85 9.55 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -178.485 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 p -69.25 -39.04 78.7 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.944 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.66 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -85.59 -42.65 14.17 Favored 'General case' 0 C--O 1.231 0.1 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.746 -179.268 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.586 ' CD2' ' HA ' ' A' ' 24' ' ' CYS . 0.2 OUTLIER -110.53 158.55 35.14 Favored Pre-proline 0 N--CA 1.461 0.113 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.418 -178.002 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.612 ' HG2' ' HB3' ' A' ' 4' ' ' LYS . 44.2 Cg_endo -71.15 -70.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.099 1.866 . . . . 0.0 112.791 179.809 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.443 ' O ' ' HB2' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -179.29 -136.86 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.866 0.365 . . . . 0.0 111.377 -178.965 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.686 ' HA3' ' HD3' ' A' ' 4' ' ' LYS . . . 72.24 79.34 0.45 Allowed Glycine 0 C--N 1.337 0.594 0 N-CA-C 111.516 -0.634 . . . . 0.0 111.516 -179.914 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 57.53 24.18 10.04 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 -178.572 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.504 ' HB2' ' HB3' ' A' ' 47' ' ' CYS . 8.7 t -98.71 126.29 44.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.825 -179.286 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.41 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 14.6 t -179.27 -150.5 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.113 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -97.81 123.01 41.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.137 0.494 . . . . 0.0 110.907 -179.656 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.531 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 22.8 t -142.95 130.68 21.44 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.372 -179.237 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -127.14 144.29 51.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.318 179.64 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.03 3.92 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.253 -179.664 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.52 -82.3 0.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.346 -179.704 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.0 -148.67 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.438 -179.619 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -51.73 -19.96 1.88 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.163 179.839 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.8 140.2 34.35 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.4 0.619 . . . . 0.0 111.5 179.895 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.682 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 6.7 p-80 -151.12 -173.59 4.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.801 -179.642 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.602 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 88.0 p -154.88 -153.96 0.48 Allowed 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.07 -0.252 . . . . 0.0 110.622 177.852 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.435 ' SG ' ' HE2' ' A' ' 12' ' ' LYS . 3.0 m -116.13 146.21 42.44 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.52 179.438 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -115.63 48.11 1.25 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.844 0.354 . . . . 0.0 111.487 -179.393 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.692 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -63.07 -22.82 67.12 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-O 121.743 0.782 . . . . 0.0 110.274 179.148 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.638 ' HE3' ' HB3' ' A' ' 3' ' ' MET . 3.0 tmtt? -150.6 151.91 33.28 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.03 -179.093 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 t -68.06 76.77 0.23 Allowed 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.661 179.59 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.138 -0.934 . . . . 0.0 110.964 -179.803 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.5 t30 . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.754 0.312 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.513 HD21 ' HZ3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -132.29 -155.55 0.69 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.958 -179.877 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.544 ' O ' ' HG2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER 58.91 86.85 0.08 Allowed 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.995 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.747 ' HA ' ' HG2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -116.58 82.7 1.83 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.346 179.842 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -65.06 107.67 1.6 Allowed 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -178.739 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.779 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 7.5 p -62.8 134.93 57.0 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.966 179.325 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.471 ' HA ' ' HZ3' ' A' ' 12' ' ' LYS . 1.5 p 57.33 139.88 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 178.368 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.759 ' HD2' ' HB3' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -104.88 25.12 10.85 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.844 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 141.58 -1.17 1.79 Allowed Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 114.203 -1.362 . . . . 0.0 110.694 -178.495 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.547 ' HA ' ' HZ1' ' A' ' 12' ' ' LYS . 2.0 t80 57.52 84.43 0.1 Allowed 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.475 -0.362 . . . . 0.0 111.054 179.947 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.822 ' HD3' ' HE2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -166.55 57.5 0.09 Allowed 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 179.875 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.68 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 3.8 mptt -99.77 155.52 17.59 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 177.672 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.568 ' HB3' HG22 ' A' ' 42' ' ' THR . 0.2 OUTLIER -150.31 156.63 41.89 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -177.839 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.462 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 110.89 37.09 1.75 Allowed Glycine 0 C--N 1.337 0.636 0 CA-C-N 115.51 -0.768 . . . . 0.0 113.176 179.25 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.478 ' N ' ' HE1' ' A' ' 43' ' ' HIS . 0.0 OUTLIER 32.35 82.04 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.803 0.335 . . . . 0.0 111.155 -179.564 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.414 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 1.9 t 56.31 53.43 8.82 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.26 0.552 . . . . 0.0 110.13 -178.712 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.55 ' H ' ' HE2' ' A' ' 43' ' ' HIS . 0.9 OUTLIER -83.22 151.49 25.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.672 -179.761 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.619 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 2.7 m -51.69 -57.67 8.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.758 179.648 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.32 -26.33 1.23 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.406 -179.789 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.536 ' HG2' ' HB ' ' A' ' 17' ' ' THR . 4.1 mm-40 -81.32 -51.99 7.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.658 179.82 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.619 ' HG2' ' O ' ' A' ' 18' ' ' THR . 9.8 pt-20 -57.86 -27.07 62.91 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 178.03 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.61 -54.3 10.87 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 114.426 -1.261 . . . . 0.0 109.295 178.5 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.822 ' HE2' ' HD3' ' A' ' 11' ' ' ARG . 26.7 tttp -42.68 -34.5 0.91 Allowed 'General case' 0 CA--C 1.522 -0.101 0 CA-C-O 121.607 0.717 . . . . 0.0 109.595 178.444 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.619 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 3.9 m -67.95 -54.29 19.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.961 179.77 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.481 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -75.83 -56.11 4.98 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.907 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.511 ' OG1' HD22 ' A' ' 27' ' ' LEU . 21.8 p -56.76 -48.6 77.49 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -179.064 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.759 ' HB3' ' HD2' ' A' ' 8' ' ' ARG . 0.7 OUTLIER -85.9 -40.89 15.45 Favored 'General case' 0 C--O 1.231 0.104 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -178.677 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.619 ' CD2' ' HA ' ' A' ' 24' ' ' CYS . 0.3 OUTLIER -109.83 156.24 40.18 Favored Pre-proline 0 C--N 1.333 -0.134 0 CA-C-O 120.925 0.393 . . . . 0.0 111.73 -176.855 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.747 ' HG2' ' HA ' ' A' ' 4' ' ' LYS . 17.3 Cg_exo -67.78 -74.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.762 2.308 . . . . 0.0 112.755 179.877 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.546 ' H ' ' HB3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -178.17 -135.15 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 121.06 0.457 . . . . 0.0 112.221 -178.763 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.72 69.11 1.46 Allowed Glycine 0 C--N 1.334 0.455 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -179.348 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 62.82 29.19 16.65 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 -177.934 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 30' ' ' ARG . 18.6 t -97.71 117.41 31.95 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.25 -179.433 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.489 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 13.5 t -177.43 -140.46 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.714 -179.667 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.25 122.92 39.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 121.695 -0.628 . . . . 0.0 111.257 -179.584 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.4 t -137.67 119.16 14.84 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.139 179.822 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.438 ' CG ' ' HB3' ' A' ' 43' ' ' HIS . 7.5 t0 -129.85 138.77 51.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.973 -179.587 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.43 0.79 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.804 179.878 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -108.87 -85.05 0.54 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.221 -179.77 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.0 ttm -143.84 -145.77 0.18 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.697 -179.757 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -58.11 -15.13 8.41 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.428 -179.827 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.568 HG22 ' HB3' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -99.52 141.57 32.14 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.311 0.577 . . . . 0.0 111.266 179.73 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.68 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.3 p-80 -150.8 -176.53 5.56 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.378 -179.712 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.441 ' HB2' ' NZ ' ' A' ' 12' ' ' LYS . 59.5 p -153.79 -154.14 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 177.894 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 2.8 m -123.75 132.94 53.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.665 0.269 . . . . 0.0 110.765 179.885 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -99.98 56.14 0.95 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.073 0.463 . . . . 0.0 111.2 -179.67 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.766 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 0.8 OUTLIER -62.06 -17.75 58.5 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.172 179.788 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.779 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 1.8 mttt -147.64 159.24 43.99 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.681 -179.238 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.8 74.83 0.61 Allowed 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.661 179.843 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.9 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.7 mtm105 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.363 0.125 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.807 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 25.1 p -45.93 115.71 1.04 Allowed 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.642 0.258 . . . . 0.0 111.173 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.828 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.6 OUTLIER 58.19 161.13 0.03 OUTLIER 'General case' 0 C--O 1.231 0.104 0 CA-C-O 121.334 0.588 . . . . 0.0 111.976 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.57 ' H ' ' NZ ' ' A' ' 12' ' ' LYS . 7.8 mtp85 -107.62 30.65 6.09 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.565 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.33 18.77 5.29 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.165 -178.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 62.29 90.61 0.07 Allowed 'General case' 0 C--O 1.231 0.107 0 CA-C-N 115.679 -0.261 . . . . 0.0 110.529 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.497 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -159.85 53.78 0.36 Allowed 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -179.674 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.839 ' HE3' ' HG2' ' A' ' 23' ' ' LYS . 8.7 mptt -114.4 158.43 21.54 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.442 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.413 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -150.24 156.1 40.94 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -178.465 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 100.53 49.68 1.38 Allowed Glycine 0 C--N 1.338 0.674 0 CA-C-N 115.22 -0.9 . . . . 0.0 113.583 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 14' ' ' GLY . 0.9 OUTLIER 29.19 82.94 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.497 0.319 . . . . 0.0 111.475 -179.889 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.611 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 49.55 51.15 16.97 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.428 0.632 . . . . 0.0 109.921 -178.738 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.546 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -67.63 154.67 40.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.185 -179.474 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.555 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.1 m -54.6 -51.83 64.1 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.14 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.468 ' HA ' HD22 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -54.7 -25.47 27.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.39 179.759 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.697 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -78.3 -45.89 21.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.225 179.454 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.593 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 2.4 pt-20 -67.84 -25.84 65.75 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 178.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.96 -36.16 49.47 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.603 178.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.839 ' HG2' ' HE3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -56.77 -48.0 78.85 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.678 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.702 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 3.9 m -69.23 -33.78 73.81 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.096 -0.956 . . . . 0.0 112.307 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.503 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -80.3 -69.15 0.61 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -178.864 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.57 ' OG1' HD12 ' A' ' 27' ' ' LEU . 23.4 p -50.68 -40.7 54.44 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -179.076 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.639 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.6 mp -85.56 -38.94 17.93 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 120.591 -0.443 . . . . 0.0 112.014 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.51 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -113.05 112.16 50.17 Favored Pre-proline 0 CA--C 1.53 0.199 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.431 -178.591 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -82.5 67.43 7.97 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.554 2.169 . . . . 0.0 111.49 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.699 ' HD3' ' H ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -108.93 169.69 8.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.339 0.59 . . . . 0.0 112.09 -178.88 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.699 ' H ' ' HD3' ' A' ' 30' ' ' ARG . . . -108.17 -19.57 8.89 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.944 178.52 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -112.36 15.55 20.27 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.222 0.534 . . . . 0.0 110.167 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.702 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 12.0 t -99.75 150.79 21.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.402 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.494 HG23 ' N ' ' A' ' 35' ' ' CYS . 6.9 t 177.76 -152.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.985 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.494 ' N ' HG23 ' A' ' 34' ' ' THR . 0.8 OUTLIER -98.01 129.39 44.88 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-O 120.987 0.422 . . . . 0.0 110.658 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.592 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 3.1 p -136.57 125.49 24.21 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.299 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.449 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 26.0 t70 -135.04 159.3 41.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.454 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.89 -74.57 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.712 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -168.96 43.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.687 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 34.9 mtt -139.77 -168.83 2.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.86 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -88.04 -18.29 29.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.953 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -115.08 141.35 48.12 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.434 0.635 . . . . 0.0 111.672 179.881 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.621 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.4 p80 -151.51 -171.28 3.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.274 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.526 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 93.2 p -154.32 -151.23 0.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.979 177.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.828 ' H ' HG22 ' A' ' 7' ' ' THR . 22.0 m -100.08 175.53 5.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.889 0.376 . . . . 0.0 111.757 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -150.69 36.58 0.64 Allowed 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.607 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.592 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -59.85 -24.04 63.89 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 121.302 0.572 . . . . 0.0 110.036 179.193 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.807 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.2 OUTLIER -139.46 129.48 25.03 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.522 -179.611 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.8 t -51.05 90.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.666 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.408 ' N ' ' O ' ' A' ' 48' ' ' LYS . 20.7 p . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.858 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.828 0.347 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.762 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 5.4 p -49.58 132.06 21.24 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.949 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.723 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.2 OUTLIER 58.7 157.25 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.287 0.565 . . . . 0.0 112.227 179.477 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.406 ' H ' ' NZ ' ' A' ' 12' ' ' LYS . 0.7 OUTLIER -100.25 32.55 2.96 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.524 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.32 20.62 6.95 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.021 -178.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.435 ' HD1' ' OG ' ' A' ' 44' ' ' SER . 70.1 t80 63.44 91.69 0.07 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.609 -0.295 . . . . 0.0 110.687 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -161.58 50.6 0.23 Allowed 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.731 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -113.0 157.35 21.63 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 178.088 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.425 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -150.02 155.72 40.41 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -178.188 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 103.1 46.22 1.49 Allowed Glycine 0 C--N 1.338 0.677 0 CA-C-N 115.231 -0.895 . . . . 0.0 113.442 179.368 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER 31.23 83.14 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.511 0.324 . . . . 0.0 111.168 -179.662 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.633 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 49.42 50.91 17.34 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 121.514 0.673 . . . . 0.0 109.517 -178.479 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.603 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -69.07 156.8 38.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.378 -179.092 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.518 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.1 m -55.25 -53.32 57.59 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.128 179.239 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.452 ' HA ' HD22 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -53.21 -25.99 16.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.608 179.837 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.731 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -79.27 -46.38 17.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.516 179.698 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.614 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 4.7 pt-20 -66.07 -26.15 67.36 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.62 -40.38 34.57 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.875 179.187 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.617 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -52.33 -45.81 65.8 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 121.359 0.6 . . . . 0.0 109.77 178.911 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.622 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 11.0 m -66.34 -51.25 59.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.541 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.12 -65.61 0.7 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -178.56 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.523 ' OG1' HD12 ' A' ' 27' ' ' LEU . 26.6 p -47.53 -43.74 25.17 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -178.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.617 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.1 mp -85.29 -38.73 18.5 Favored 'General case' 0 C--O 1.231 0.113 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.726 -179.053 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.496 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -112.72 113.29 50.34 Favored Pre-proline 0 C--N 1.331 -0.21 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.994 -178.765 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -78.42 65.15 8.57 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.615 2.21 . . . . 0.0 111.109 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.625 ' HG3' ' HB3' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -104.28 170.65 7.78 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.373 0.606 . . . . 0.0 112.167 -178.799 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.543 ' H ' ' HD3' ' A' ' 30' ' ' ARG . . . -117.13 -17.17 5.88 Favored Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.089 -0.959 . . . . 0.0 111.013 178.74 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.475 ' HG2' HH11 ' A' ' 30' ' ' ARG . 0.3 OUTLIER -112.73 12.19 19.6 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.117 0.484 . . . . 0.0 110.29 179.411 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.622 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 9.3 t -99.83 158.34 15.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.249 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.522 ' HB ' ' O ' ' A' ' 33' ' ' CYS . 9.3 t 175.83 -152.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.718 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.454 ' N ' HG23 ' A' ' 34' ' ' THR . 1.4 p -97.73 124.84 42.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.186 0.517 . . . . 0.0 110.793 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.596 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 12.1 p -129.05 124.63 35.37 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.299 -179.048 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -134.98 156.96 48.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.279 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.63 -72.6 0.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.947 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.5 pttm -168.5 43.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.705 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 54.7 mtm -143.52 -179.4 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -78.17 -18.98 54.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.045 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.96 140.88 47.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.45 0.643 . . . . 0.0 111.739 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.633 ' CE1' ' H ' ' A' ' 16' ' ' CYS . 3.3 p80 -151.57 -171.52 3.96 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.076 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.537 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 82.0 p -153.99 -149.66 0.29 Allowed 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.957 177.622 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.723 ' H ' HG22 ' A' ' 7' ' ' THR . 58.6 m -99.77 175.92 5.63 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.024 0.44 . . . . 0.0 111.613 -179.51 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -151.05 39.39 0.68 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.611 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.625 ' HB3' ' HG3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -59.45 -23.93 63.11 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.295 0.569 . . . . 0.0 110.0 179.249 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.762 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.4 OUTLIER -135.69 133.33 37.99 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.363 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.6 t -43.35 93.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.09 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' A' ' 48' ' ' LYS . 29.6 p . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.891 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.3 ttt-85 . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.788 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 2.0 p -47.47 129.8 13.42 Favored 'General case' 0 N--CA 1.461 0.1 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.16 178.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.749 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.6 OUTLIER 58.61 168.87 0.06 Allowed 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.238 0.542 . . . . 0.0 111.509 -179.775 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.481 ' NH1' ' HD2' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -109.22 34.32 3.81 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.733 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.07 21.15 7.54 Favored Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.265 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.406 ' HD1' ' OG ' ' A' ' 44' ' ' SER . 71.6 t80 64.03 91.51 0.07 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.671 -0.265 . . . . 0.0 110.542 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.452 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -161.82 51.43 0.22 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.809 ' HG3' ' HE2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -112.66 157.54 21.12 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 177.906 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.41 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.3 OUTLIER -149.94 156.41 41.69 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -177.837 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.474 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 102.02 50.06 1.19 Allowed Glycine 0 C--N 1.339 0.695 0 CA-C-N 115.238 -0.892 . . . . 0.0 113.445 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 14' ' ' GLY . 12.1 mttt 23.27 82.9 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 122.774 0.43 . . . . 0.0 111.366 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.638 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 53.81 57.25 6.21 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.515 0.674 . . . . 0.0 109.651 -178.308 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.637 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -76.79 157.6 31.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.404 -179.059 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.58 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -55.8 -57.56 11.5 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.94 178.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.447 ' HA ' HD22 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -52.28 -22.76 4.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.608 179.769 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.637 ' H ' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -77.78 -51.06 11.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.448 179.717 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.58 ' HG2' ' O ' ' A' ' 18' ' ' THR . 5.7 pt-20 -64.92 -26.73 68.43 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.032 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.02 -36.13 41.6 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.062 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.809 ' HE2' ' HG3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -55.97 -47.37 77.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.4 0.619 . . . . 0.0 109.426 178.939 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.683 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 3.6 m -69.43 -37.95 77.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.091 -0.958 . . . . 0.0 112.422 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.49 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -76.92 -67.67 0.68 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -178.927 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.555 ' OG1' HD12 ' A' ' 27' ' ' LEU . 30.8 p -51.31 -41.34 60.44 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -178.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.627 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.9 mp -85.36 -39.11 17.99 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.828 -179.065 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.515 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.3 OUTLIER -111.82 111.3 54.09 Favored Pre-proline 0 CA--C 1.529 0.173 0 C-N-CA 120.879 -0.329 . . . . 0.0 111.302 -178.599 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -80.44 65.76 8.88 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.431 2.087 . . . . 0.0 111.554 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.429 ' CB ' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -109.42 166.07 11.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.25 0.547 . . . . 0.0 112.146 -178.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -106.85 -17.92 11.3 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.907 178.444 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -112.62 15.06 20.15 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.061 0.458 . . . . 0.0 110.255 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.683 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 15.3 t -99.71 154.02 18.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.27 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.53 ' HB ' ' O ' ' A' ' 33' ' ' CYS . 7.3 t 175.22 -151.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.771 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.499 ' N ' HG23 ' A' ' 34' ' ' THR . 0.6 OUTLIER -97.54 131.68 43.92 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.984 0.421 . . . . 0.0 111.026 -179.828 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.452 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 30.7 t -134.57 125.59 27.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.78 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.408 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 23.4 t0 -135.14 156.39 49.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.821 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.8 t -103.65 -71.21 0.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -169.61 40.87 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.757 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.0 mtt -143.65 159.6 42.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -57.04 -27.53 61.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.16 141.53 34.85 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.419 0.628 . . . . 0.0 111.641 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.638 ' CE1' ' H ' ' A' ' 16' ' ' CYS . 3.0 p80 -151.21 -173.0 4.36 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.032 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.532 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 96.5 p -153.63 -152.96 0.44 Allowed 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.778 177.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.749 ' H ' HG22 ' A' ' 7' ' ' THR . 28.8 m -99.8 174.63 6.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.068 0.461 . . . . 0.0 111.979 -179.28 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -151.08 49.63 0.84 Allowed 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.306 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.551 ' HB3' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -73.29 -21.42 60.59 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 121.381 0.61 . . . . 0.0 109.765 179.14 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.788 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 2.0 tmtt? -131.5 132.97 44.63 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.155 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 t -48.11 89.1 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.629 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 48' ' ' LYS . 28.3 p . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.222 -0.894 . . . . 0.0 111.05 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.682 0.277 . . . . 0.0 111.451 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.571 ' HA ' ' SG ' ' A' ' 47' ' ' CYS . 27.1 p -44.67 135.71 4.79 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.05 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.883 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.6 OUTLIER 57.43 173.57 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.27 0.557 . . . . 0.0 112.228 179.253 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.594 ' HD3' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -115.17 27.99 9.0 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.079 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.0 16.23 3.65 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 114.516 -1.22 . . . . 0.0 110.977 -178.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.1 t80 64.26 92.72 0.07 Allowed 'General case' 0 C--O 1.231 0.107 0 CA-C-N 115.639 -0.28 . . . . 0.0 110.742 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.498 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -162.02 51.96 0.22 Allowed 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -179.834 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.737 ' HE3' ' HG2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -111.67 155.26 23.7 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 177.81 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.403 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -150.26 155.97 40.69 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 -177.779 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 104.73 46.28 1.31 Allowed Glycine 0 C--N 1.338 0.65 0 CA-C-N 115.267 -0.879 . . . . 0.0 113.403 179.236 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 14' ' ' GLY . 2.7 mttt 30.31 84.16 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 122.56 0.344 . . . . 0.0 111.311 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.585 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.3 OUTLIER 50.65 51.42 16.96 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-O 121.535 0.684 . . . . 0.0 109.701 -178.554 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.595 ' H ' ' HE1' ' A' ' 43' ' ' HIS . 0.7 OUTLIER -71.25 155.75 40.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.131 -179.234 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.561 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.5 m -53.99 -56.6 16.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.966 179.19 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.457 ' HA ' HD22 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -50.22 -25.15 3.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.962 179.872 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.676 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -77.46 -51.58 10.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.587 179.798 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.597 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 9.3 pt-20 -64.59 -28.03 69.35 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.69 -35.33 57.96 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.851 179.037 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.737 ' HG2' ' HE3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -56.37 -51.16 69.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.419 0.628 . . . . 0.0 109.328 178.822 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.468 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 2.8 m -68.44 -31.08 70.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.088 -0.96 . . . . 0.0 112.191 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.523 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -81.15 -71.45 0.47 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.038 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.492 ' OG1' HD12 ' A' ' 27' ' ' LEU . 47.8 p -47.79 -39.78 19.11 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -179.269 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.6 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.5 mp -85.52 -37.95 19.09 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 120.683 -0.407 . . . . 0.0 112.069 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.512 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -114.28 115.39 45.03 Favored Pre-proline 0 CA--C 1.529 0.157 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.277 -178.72 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -83.82 65.38 7.29 Favored 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.448 2.099 . . . . 0.0 111.095 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.576 ' HD3' ' H ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -114.54 179.06 4.06 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.404 0.621 . . . . 0.0 112.417 -178.53 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.576 ' H ' ' HD3' ' A' ' 30' ' ' ARG . . . -119.05 -34.51 1.03 Allowed Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.272 178.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.52 11.24 27.05 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.296 0.57 . . . . 0.0 109.986 179.013 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.523 ' HB2' ' HB3' ' A' ' 47' ' ' CYS . 36.5 t -105.89 148.13 27.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.367 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.493 HG23 ' N ' ' A' ' 35' ' ' CYS . 13.2 t 178.21 -146.23 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.97 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.493 ' N ' HG23 ' A' ' 34' ' ' THR . 0.2 OUTLIER -97.39 139.79 32.82 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.092 0.472 . . . . 0.0 111.297 -179.484 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -141.0 109.11 5.76 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.589 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.493 ' HA ' ' HB3' ' A' ' 43' ' ' HIS . 2.4 p-10 -115.83 165.27 13.27 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.201 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 p -110.05 -87.59 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.775 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.85 59.72 0.03 OUTLIER 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.931 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -148.01 -85.66 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -169.58 -33.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.414 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -99.54 140.38 33.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.276 0.56 . . . . 0.0 111.044 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.652 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.6 p80 -150.79 -176.94 5.71 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.343 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.612 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 94.1 p -153.62 -155.13 0.57 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.098 178.237 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.883 ' H ' HG22 ' A' ' 7' ' ' THR . 9.7 m -99.45 171.2 8.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.91 0.386 . . . . 0.0 111.63 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -150.62 47.9 0.88 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.241 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.571 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -60.96 -26.68 67.72 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 121.415 0.626 . . . . 0.0 109.909 179.062 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.562 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -141.87 124.87 16.21 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.461 179.798 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 t -34.72 96.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.74 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.726 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.744 0.307 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.81 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 11.1 p -55.92 121.0 8.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.488 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.64 HG22 ' H ' ' A' ' 45' ' ' CYS . 1.1 p 63.68 128.81 0.01 OUTLIER 'General case' 0 C--O 1.23 0.069 0 CA-C-O 121.18 0.514 . . . . 0.0 111.259 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 1.005 ' HD2' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.01 36.39 1.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.303 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 127.22 5.92 5.46 Favored Glycine 0 N--CA 1.444 -0.803 0 CA-C-N 114.748 -1.115 . . . . 0.0 110.973 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.41 ' HD1' ' HB3' ' A' ' 44' ' ' SER . 19.3 t80 56.53 88.88 0.05 OUTLIER 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 115.655 -0.272 . . . . 0.0 110.345 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.509 ' HB3' HH11 ' A' ' 11' ' ' ARG . 0.0 OUTLIER -163.83 52.75 0.15 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -179.745 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.72 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -109.04 157.45 18.69 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 176.916 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.453 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.5 OUTLIER -150.51 159.14 44.7 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -177.572 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 102.96 44.81 1.7 Allowed Glycine 0 C--N 1.336 0.577 0 CA-C-N 115.223 -0.899 . . . . 0.0 113.596 178.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 14' ' ' GLY . 1.5 mttt 27.06 84.02 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 122.573 0.349 . . . . 0.0 111.413 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.596 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 1.6 t 55.19 51.36 13.36 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.385 0.612 . . . . 0.0 109.789 -178.436 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.576 ' H ' ' HE1' ' A' ' 43' ' ' HIS . 0.7 OUTLIER -76.57 153.91 34.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.278 -179.31 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.51 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -54.32 -52.79 60.4 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.076 179.195 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -50.21 -26.74 4.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.853 179.801 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.605 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -78.34 -50.86 11.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.489 179.766 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.567 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 4.5 pt-20 -63.85 -23.31 67.3 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.17 -36.69 24.52 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.073 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.496 ' HG2' ' NH2' ' A' ' 8' ' ' ARG . 0.1 OUTLIER -53.67 -43.19 68.66 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.345 0.593 . . . . 0.0 109.501 178.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.2 m -76.66 -42.35 42.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.139 -0.937 . . . . 0.0 112.171 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.537 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -65.85 -28.11 68.73 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 -178.562 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.2 p -85.65 -34.27 21.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.735 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.005 HD22 ' HD2' ' A' ' 8' ' ' ARG . 0.5 OUTLIER -85.15 -46.49 11.05 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -178.885 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.613 ' HE2' HH11 ' A' ' 8' ' ' ARG . 1.4 m-85 -133.16 112.84 13.32 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.458 -178.409 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 28' ' ' TYR . 2.3 Cg_endo -79.87 69.6 7.87 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.799 2.332 . . . . 0.0 111.635 179.453 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.663 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 11.6 mmm180 -110.8 -172.09 1.96 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.492 -179.364 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -105.72 -29.11 5.12 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.394 179.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.438 ' C ' ' HA ' ' A' ' 47' ' ' CYS . 2.4 mt-30 -105.31 9.47 33.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.295 0.569 . . . . 0.0 110.332 179.32 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.663 ' HB2' ' HB2' ' A' ' 30' ' ' ARG . 4.6 t -99.72 74.76 1.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.842 179.381 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.477 HG23 ' N ' ' A' ' 35' ' ' CYS . 8.9 t -131.81 -132.63 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.116 -178.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.477 ' N ' HG23 ' A' ' 34' ' ' THR . 0.0 OUTLIER -98.17 131.71 44.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.03 0.443 . . . . 0.0 111.064 -179.764 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.2 t -137.68 111.84 8.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.775 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.479 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 38.8 t70 -129.75 158.54 39.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.881 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.5 t -105.82 -67.67 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.831 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.73 47.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.44 -177.79 5.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.805 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -79.12 -31.68 44.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.732 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -99.84 143.73 29.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.355 0.598 . . . . 0.0 111.443 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.627 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 2.3 p80 -151.22 -178.47 6.66 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.374 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.532 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 80.4 p -152.43 -150.15 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.937 177.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.64 ' H ' HG22 ' A' ' 7' ' ' THR . 0.1 OUTLIER -101.95 176.15 5.3 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -178.511 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -150.94 30.28 0.64 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.249 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.606 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -50.23 -27.49 6.07 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.477 0.656 . . . . 0.0 110.268 179.564 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.81 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -133.77 138.59 45.82 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.655 -179.746 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.25 94.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.971 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 28.1 p . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.879 -179.832 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.844 0.355 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.862 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 19.0 p -51.3 139.89 18.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.896 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.919 ' H ' ' HB2' ' A' ' 45' ' ' CYS . 0.4 OUTLIER 53.14 -172.16 0.04 OUTLIER 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 121.421 0.629 . . . . 0.0 111.675 179.6 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.746 ' HD2' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -145.35 32.54 1.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.243 -0.889 . . . . 0.0 108.797 179.257 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.81 8.62 5.13 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 114.543 -1.208 . . . . 0.0 110.652 -178.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.2 t80 56.38 85.83 0.07 Allowed 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.486 -0.357 . . . . 0.0 110.421 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.485 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -154.51 51.51 0.64 Allowed 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -179.658 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.892 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 5.0 mptt -111.08 159.06 18.15 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 178.079 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.71 156.49 41.42 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -178.551 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 100.37 52.02 1.18 Allowed Glycine 0 C--N 1.338 0.674 0 CA-C-N 115.214 -0.903 . . . . 0.0 113.616 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 14' ' ' GLY . 0.2 OUTLIER 26.81 82.27 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.898 0.349 . . . . 0.0 111.604 -179.667 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.624 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 49.91 52.15 15.2 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.311 0.577 . . . . 0.0 110.114 -178.896 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.568 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -70.99 151.45 44.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.263 -0.881 . . . . 0.0 111.266 -179.558 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.521 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.0 OUTLIER -50.56 -51.2 50.27 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 120.891 0.377 . . . . 0.0 110.145 179.3 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.0 tt -48.71 -44.69 38.38 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.415 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.892 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -65.56 -44.59 86.3 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.267 -179.543 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.621 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 5.5 pt-20 -67.48 -23.21 65.46 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.106 0.479 . . . . 0.0 109.808 179.526 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.53 -41.28 24.48 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.298 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.701 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -50.57 -49.37 56.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.579 178.863 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.438 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 4.7 m -66.94 -44.47 80.56 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.067 -0.969 . . . . 0.0 111.507 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.562 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -61.08 -72.06 0.13 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.879 -179.057 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.6 p -48.5 -38.43 20.15 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.746 HD22 ' HD2' ' A' ' 8' ' ' ARG . 0.1 OUTLIER -77.76 -33.84 52.6 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.304 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 27' ' ' LEU . 3.5 m-85 -140.86 110.24 6.61 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.206 -178.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -79.44 47.03 2.38 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.614 2.209 . . . . 0.0 111.983 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.517 ' HB2' ' CB ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -81.94 -177.98 6.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.606 -179.5 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -105.56 -11.28 29.28 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.124 178.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.16 13.99 6.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.011 0.434 . . . . 0.0 110.67 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.541 ' HB2' ' HB3' ' A' ' 47' ' ' CYS . 34.8 t -99.87 65.1 1.29 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.959 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.521 HG23 ' N ' ' A' ' 35' ' ' CYS . 14.6 t -111.78 -141.57 0.38 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.895 -179.208 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.521 ' N ' HG23 ' A' ' 34' ' ' THR . 0.8 OUTLIER -98.53 129.46 45.09 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.09 0.471 . . . . 0.0 111.252 -179.53 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.542 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.4 OUTLIER -135.87 122.34 20.7 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.676 -179.808 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.474 ' HA ' ' HB3' ' A' ' 43' ' ' HIS . 19.2 t0 -121.34 150.98 40.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.289 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.536 ' O ' ' HB2' ' A' ' 39' ' ' LYS . 14.9 t -99.85 24.08 8.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.263 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.536 ' HB2' ' O ' ' A' ' 38' ' ' SER . 0.1 OUTLIER 74.87 40.69 0.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.735 -179.43 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.9 mmt -138.33 172.57 12.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.444 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 40.9 t-20 -64.67 -32.56 74.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.572 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.53 141.96 39.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.474 0.654 . . . . 0.0 111.296 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.635 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.2 p80 -151.36 -171.49 3.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.967 -1.015 . . . . 0.0 108.994 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.515 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 69.4 p -154.37 -145.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.709 177.629 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.919 ' HB2' ' H ' ' A' ' 7' ' ' THR . 26.7 m -103.37 178.59 4.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.033 0.444 . . . . 0.0 111.782 -179.413 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -150.23 37.01 0.68 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.828 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.541 ' HB3' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -57.8 -23.49 52.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.283 179.491 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.862 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -131.13 135.12 47.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.543 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.4 t -52.11 94.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.875 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 24.4 p . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.879 -179.802 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.711 0.291 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.451 ' SG ' HG23 ' A' ' 7' ' ' THR . 1.1 p -46.34 134.62 8.76 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.276 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.811 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.2 OUTLIER 56.16 170.14 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.333 0.587 . . . . 0.0 112.316 179.469 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.415 ' HD2' ' OH ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -117.97 28.43 8.41 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.315 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.58 18.04 2.78 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 114.62 -1.173 . . . . 0.0 111.296 -178.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 50.7 t80 59.93 95.81 0.03 OUTLIER 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.521 0.2 . . . . 0.0 110.713 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.489 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -164.85 53.28 0.12 Allowed 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 179.893 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.882 ' HE3' ' HG2' ' A' ' 23' ' ' LYS . 8.8 mptt -113.2 157.14 22.09 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 177.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.406 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.1 OUTLIER -149.81 154.69 38.83 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -178.187 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 102.57 47.21 1.42 Allowed Glycine 0 C--N 1.339 0.718 0 CA-C-N 115.15 -0.932 . . . . 0.0 113.5 179.218 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 14' ' ' GLY . 0.2 OUTLIER 31.6 83.81 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 122.449 0.3 . . . . 0.0 111.381 -179.79 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.603 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 47.92 49.67 16.67 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.619 0.723 . . . . 0.0 109.573 -178.446 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.574 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.6 OUTLIER -66.77 158.56 30.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.722 -1.126 . . . . 0.0 111.55 -179.184 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.519 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -55.63 -52.41 63.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.987 179.128 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.442 ' HA ' HD22 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -54.81 -22.69 15.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.393 179.713 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.617 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -80.54 -46.47 15.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.354 179.642 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.582 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 4.9 pt-20 -69.36 -24.5 63.9 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.87 -34.14 45.17 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.481 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.882 ' HG2' ' HE3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -59.1 -49.66 77.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.557 178.909 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.615 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 3.7 m -69.81 -32.01 70.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.316 -0.856 . . . . 0.0 112.196 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.529 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -80.21 -67.14 0.79 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.862 0.363 . . . . 0.0 111.847 -179.097 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.472 ' OG1' HD12 ' A' ' 27' ' ' LEU . 32.7 p -51.65 -38.79 56.42 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.557 0.576 . . . . 0.0 112.557 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.63 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.5 mp -85.34 -35.48 21.4 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.693 -179.352 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.497 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -116.63 115.07 39.66 Favored Pre-proline 0 C--N 1.332 -0.191 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.052 -179.148 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -82.45 52.35 4.07 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.268 1.978 . . . . 0.0 111.044 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -92.82 -177.13 4.44 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.657 0.741 . . . . 0.0 112.649 -178.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.7 -24.89 1.31 Allowed Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.761 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.78 13.33 33.21 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.171 0.51 . . . . 0.0 109.78 178.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.615 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 12.8 t -104.75 155.29 19.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.376 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.516 ' HB ' ' O ' ' A' ' 33' ' ' CYS . 9.7 t 176.47 -150.99 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.024 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.478 ' N ' HG23 ' A' ' 34' ' ' THR . 0.8 OUTLIER -98.15 130.81 44.9 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.105 0.479 . . . . 0.0 110.829 -179.601 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.579 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 67.2 m -135.96 122.51 20.83 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.267 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -132.14 157.71 43.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.304 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.42 -75.85 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.965 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -163.78 39.41 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.69 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.16 166.32 24.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.842 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -68.12 -10.59 55.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.915 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.421 HG22 ' O ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -120.39 140.99 50.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.434 0.635 . . . . 0.0 111.702 179.765 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.634 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 2.8 p80 -151.36 -171.56 3.97 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.038 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.573 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 80.6 p -154.68 -151.12 0.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.45 -0.5 . . . . 0.0 111.215 177.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.811 ' H ' HG22 ' A' ' 7' ' ' THR . 39.2 m -99.68 169.44 9.27 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.856 0.36 . . . . 0.0 111.404 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -150.34 41.84 0.81 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.626 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.57 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -59.23 -26.25 64.72 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 121.465 0.65 . . . . 0.0 109.772 178.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER -132.61 136.58 46.62 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.372 -179.816 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.8 86.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.815 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 48' ' ' LYS . 85.1 m . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.873 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.406 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.862 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 9.3 p -52.17 143.18 14.91 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.608 179.249 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.402 HG22 ' H ' ' A' ' 45' ' ' CYS . 1.4 p 61.76 131.56 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 121.184 0.516 . . . . 0.0 111.586 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 1.023 ' HD2' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.66 34.04 2.35 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.726 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.99 6.2 2.57 Favored Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 114.515 -1.22 . . . . 0.0 110.879 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.6 t80 53.44 70.5 0.59 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.429 -0.385 . . . . 0.0 110.37 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.742 ' HG3' ' HZ2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -145.94 63.98 1.23 Allowed 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -179.202 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.802 ' HE3' ' HE3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -113.83 157.9 21.71 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 177.802 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.46 158.07 43.74 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 -178.127 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.49 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 97.96 57.95 1.0 Allowed Glycine 0 C--N 1.337 0.629 0 CA-C-N 115.206 -0.906 . . . . 0.0 113.297 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.49 ' C ' ' O ' ' A' ' 14' ' ' GLY . 1.2 mttt 19.48 83.94 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 122.991 0.516 . . . . 0.0 111.895 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.419 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 1.3 t 50.67 59.58 4.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.517 -178.603 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.561 ' HB ' ' HG2' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -80.32 150.15 30.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.497 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.498 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -52.9 -51.66 60.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.544 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.19 -27.96 6.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.013 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.561 ' HG2' ' HB ' ' A' ' 17' ' ' THR . 6.8 mm-40 -77.74 -49.17 14.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.527 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 3.9 pt-20 -64.53 -27.51 69.02 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.033 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.94 -36.01 42.36 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.516 178.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.802 ' HE3' ' HE3' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -50.88 -57.65 7.96 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.394 178.62 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.684 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 0.6 OUTLIER -67.75 -32.31 72.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.0 179.313 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.527 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -61.68 -73.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.327 -179.366 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.8 p -52.89 -31.86 41.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.948 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.023 HD22 ' HD2' ' A' ' 8' ' ' ARG . 0.2 OUTLIER -77.15 -34.44 56.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.761 0.315 . . . . 0.0 111.694 -179.475 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.544 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 2.1 m-85 -143.13 104.93 5.16 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.669 -178.282 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.438 ' HD2' HH21 ' A' ' 30' ' ' ARG . 4.6 Cg_exo -74.59 76.41 3.23 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.719 2.28 . . . . 0.0 111.497 179.387 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.471 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 2.5 mmp_? -113.71 -170.02 1.62 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.496 0.665 . . . . 0.0 111.87 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.41 -18.52 8.03 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.56 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.45 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 0.6 OUTLIER -118.1 12.85 13.72 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.029 0.442 . . . . 0.0 110.142 179.257 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.684 ' SG ' ' HB2' ' A' ' 24' ' ' CYS . 32.1 t -99.4 68.39 1.61 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.683 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.49 HG23 ' N ' ' A' ' 35' ' ' CYS . 9.0 t -115.26 -150.11 0.46 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.617 -179.256 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.49 ' N ' HG23 ' A' ' 34' ' ' THR . 1.6 t -98.19 144.51 27.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.021 0.438 . . . . 0.0 111.43 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.475 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -146.65 126.25 13.33 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.998 -179.872 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -131.53 156.86 44.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.468 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 t -99.71 -77.47 0.52 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.056 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.33 42.66 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.619 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 62.4 mtp -144.13 -172.91 3.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -80.27 -27.91 38.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.859 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.85 140.91 37.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.408 0.623 . . . . 0.0 111.564 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.615 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 7.4 p-80 -151.1 -168.99 3.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.107 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.591 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 80.3 p -153.48 -145.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 177.407 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.542 ' HB2' HH22 ' A' ' 8' ' ' ARG . 84.4 m -130.14 150.97 51.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.926 0.393 . . . . 0.0 111.534 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -113.49 56.57 0.69 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.046 -178.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.648 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 4.2 m -60.53 -26.15 66.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.296 0.57 . . . . 0.0 110.124 178.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.862 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 8.6 tmtt? -131.88 161.25 33.45 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.684 -179.553 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.27 66.28 1.72 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.667 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.896 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.584 0.23 . . . . 0.0 111.307 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.833 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 25.9 p -50.98 124.1 10.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.841 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.516 HG22 ' H ' ' A' ' 45' ' ' CYS . 1.0 OUTLIER 60.77 147.31 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.312 0.577 . . . . 0.0 111.928 179.827 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.962 ' HD3' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.4 35.48 1.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 178.779 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.24 17.09 5.86 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.138 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 63.7 t80 59.29 88.07 0.07 Allowed 'General case' 0 C--O 1.233 0.189 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.03 57.57 0.25 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.741 ' HG3' ' HE2' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -113.68 153.41 28.99 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 177.444 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.464 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -146.5 158.81 43.95 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -177.808 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.51 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 95.02 60.41 1.07 Allowed Glycine 0 C--N 1.338 0.643 0 CA-C-N 115.149 -0.932 . . . . 0.0 113.164 179.499 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.51 ' C ' ' O ' ' A' ' 14' ' ' GLY . 20.4 mttt 16.45 84.58 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.12 0.568 . . . . 0.0 111.853 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.692 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 52.8 59.89 4.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.147 -178.668 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.51 ' H ' ' HE1' ' A' ' 43' ' ' HIS . 0.4 OUTLIER -82.22 160.23 23.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.26 -179.381 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.433 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.9 m -54.87 -58.87 5.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.608 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -47.77 -26.15 1.5 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.197 -179.822 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.709 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -78.18 -53.57 7.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.64 179.903 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.521 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 2.9 pt-20 -60.96 -26.12 67.32 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 178.629 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -73.51 -46.49 47.56 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.444 178.804 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.741 ' HE2' ' HG3' ' A' ' 12' ' ' LYS . 0.7 OUTLIER -51.43 -39.34 57.15 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 178.784 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.582 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 19.9 m -63.7 -48.86 75.41 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.697 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.89 -69.08 0.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -179.111 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.0 p -45.88 -40.12 9.57 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.962 HD12 ' HD3' ' A' ' 8' ' ' ARG . 1.2 mm? -79.92 -39.06 31.15 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 120.791 0.329 . . . . 0.0 111.189 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.709 ' OH ' ' HD2' ' A' ' 8' ' ' ARG . 1.4 m-85 -131.31 122.4 19.03 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.591 -177.154 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -82.95 43.81 1.55 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.566 2.177 . . . . 0.0 111.491 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.7 ' HD3' ' H ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -77.62 160.78 28.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.163 -178.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.7 ' H ' ' HD3' ' A' ' 30' ' ' ARG . . . -104.56 -8.75 37.07 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 178.356 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.493 ' H ' ' HD3' ' A' ' 30' ' ' ARG . 7.8 mt-30 -125.27 18.64 8.28 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.943 0.402 . . . . 0.0 110.6 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.582 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 36.5 t -99.48 149.8 22.85 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.954 179.402 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.435 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 5.4 t -177.88 -159.7 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.304 -179.463 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.427 ' N ' HG23 ' A' ' 34' ' ' THR . 0.5 OUTLIER -96.38 127.41 42.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.157 0.504 . . . . 0.0 111.379 -179.045 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.0 t -127.64 129.62 47.53 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.744 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.436 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 32.0 t70 -139.15 156.21 47.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.594 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 p -99.96 -73.33 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -169.09 44.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.727 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 70.6 mmm -139.78 -167.77 2.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.834 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -88.47 -28.05 21.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.33 142.24 33.87 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.381 0.61 . . . . 0.0 111.469 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.692 ' CE1' ' H ' ' A' ' 16' ' ' CYS . 2.0 p80 -151.27 -174.64 4.88 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.092 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.544 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 88.3 p -153.34 -158.79 0.91 Allowed 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.836 177.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.516 ' H ' HG22 ' A' ' 7' ' ' THR . 81.2 m -99.42 176.21 5.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.721 0.296 . . . . 0.0 111.075 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -150.51 48.85 0.88 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.526 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.557 ' HB3' ' HG3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -63.6 -22.9 67.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.298 0.57 . . . . 0.0 110.035 179.103 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.833 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.4 OUTLIER -136.0 126.89 27.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -43.93 94.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.7 p . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.837 -179.631 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.758 0.313 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.58 ' HB2' ' HA ' ' A' ' 46' ' ' ASP . 1.0 OUTLIER -58.19 135.36 57.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.584 179.736 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.421 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.9 OUTLIER 59.29 149.13 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 121.29 0.567 . . . . 0.0 112.138 179.87 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.938 ' HD3' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.26 36.74 1.67 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.748 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.33 17.62 7.58 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 114.6 -1.182 . . . . 0.0 110.475 -178.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.47 ' HD1' ' HB3' ' A' ' 44' ' ' SER . 10.0 t80 59.73 95.27 0.03 OUTLIER 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 115.517 -0.341 . . . . 0.0 110.253 -179.405 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.9 53.96 0.1 Allowed 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.654 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 1.1 mptt -110.55 156.02 21.5 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 177.476 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.432 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -148.81 155.62 41.18 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 -177.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.486 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 99.26 56.42 0.99 Allowed Glycine 0 C--N 1.337 0.609 0 CA-C-N 115.15 -0.932 . . . . 0.0 113.141 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' A' ' 14' ' ' GLY . 3.8 mttt 19.52 84.56 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.042 0.537 . . . . 0.0 111.701 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.676 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 52.25 58.83 5.01 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.484 0.659 . . . . 0.0 109.758 -178.525 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.608 ' H ' ' HE1' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -79.24 160.51 26.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.321 -179.072 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.577 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.3 m -56.76 -58.13 9.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.213 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -49.17 -25.51 2.26 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.963 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.57 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -76.99 -53.29 8.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.541 179.801 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.577 ' HG2' ' O ' ' A' ' 18' ' ' THR . 7.0 pt-20 -59.6 -29.18 67.8 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 178.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -47.77 57.05 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.481 178.633 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.715 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 3.2 ttpt -51.24 -36.85 43.87 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.361 0.6 . . . . 0.0 109.467 178.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.498 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 37.1 m -65.3 -47.34 76.93 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.888 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.22 -65.82 0.9 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -179.135 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.8 p -47.77 -41.2 22.74 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.938 HD12 ' HD3' ' A' ' 8' ' ' ARG . 1.2 mm? -79.66 -40.34 29.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.825 0.345 . . . . 0.0 111.477 -179.318 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.692 ' OH ' ' HD2' ' A' ' 8' ' ' ARG . 1.6 m-85 -126.85 123.58 23.75 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.746 -176.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -86.67 48.62 1.91 Allowed 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 122.686 2.258 . . . . 0.0 111.472 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.684 HH11 ' HG2' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -87.9 159.71 18.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.106 -178.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.634 ' H ' ' HD3' ' A' ' 30' ' ' ARG . . . -99.64 -15.52 31.57 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 178.143 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.684 ' HG2' HH11 ' A' ' 30' ' ' ARG . 11.3 mm-40 -117.0 21.24 13.39 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.354 -0.423 . . . . 0.0 110.338 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.624 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 34.6 t -99.44 147.83 24.86 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.197 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.442 HG23 ' N ' ' A' ' 35' ' ' CYS . 4.4 t -178.61 -161.2 0.05 OUTLIER 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.037 -179.348 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.442 ' N ' HG23 ' A' ' 34' ' ' THR . 0.4 OUTLIER -96.22 131.59 42.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.314 0.578 . . . . 0.0 111.382 -179.195 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.425 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 34.2 t -134.12 134.07 41.81 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.611 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.439 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 31.1 t0 -142.58 159.69 41.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.666 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.63 -73.66 0.64 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.777 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -168.75 54.67 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.78 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.26 -170.29 3.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -87.0 -23.3 25.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.29 141.5 37.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.319 0.581 . . . . 0.0 111.635 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.676 ' CE1' ' H ' ' A' ' 16' ' ' CYS . 2.3 p80 -151.14 -174.26 4.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.069 -0.968 . . . . 0.0 109.264 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.528 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 69.6 p -153.9 -160.88 1.15 Allowed 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.696 177.735 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.421 ' H ' HG22 ' A' ' 7' ' ' THR . 61.8 m -99.41 175.27 5.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.755 0.312 . . . . 0.0 111.211 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.58 ' HA ' ' HB2' ' A' ' 6' ' ' CYS . 3.5 t70 -150.54 49.55 0.88 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.402 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.624 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -62.0 -24.15 66.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.262 0.553 . . . . 0.0 110.105 179.203 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.512 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.2 OUTLIER -126.96 144.95 50.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.534 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.08 84.97 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.749 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.434 ' N ' ' O ' ' A' ' 48' ' ' LYS . 60.9 m . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.811 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.681 0.277 . . . . 0.0 111.338 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.472 ' HB2' ' HA ' ' A' ' 46' ' ' ASP . 1.1 p -53.12 136.98 34.8 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.742 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.435 HG23 ' SG ' ' A' ' 6' ' ' CYS . 1.0 OUTLIER 59.78 147.72 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.283 0.563 . . . . 0.0 112.168 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.999 ' HD3' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.53 34.5 2.2 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.697 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.01 17.54 5.82 Favored Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.067 -178.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 44.0 t80 58.43 85.71 0.09 Allowed 'General case' 0 C--O 1.232 0.162 0 N-CA-C 110.348 -0.241 . . . . 0.0 110.348 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -158.89 55.15 0.42 Allowed 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -179.59 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.749 ' HG3' ' HE2' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -111.93 152.71 27.72 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 177.499 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.421 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.3 OUTLIER -148.81 154.54 39.67 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -177.757 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 104.69 46.14 1.33 Allowed Glycine 0 C--N 1.338 0.69 0 CA-C-N 115.167 -0.924 . . . . 0.0 113.345 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 14' ' ' GLY . 1.5 mtpt 29.35 82.41 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 122.622 0.369 . . . . 0.0 111.301 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.63 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.4 OUTLIER 53.31 50.89 16.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.438 0.637 . . . . 0.0 109.795 -178.44 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.559 ' H ' ' HE1' ' A' ' 43' ' ' HIS . 0.7 OUTLIER -72.55 155.1 40.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.938 -179.638 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.441 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.8 m -53.37 -54.08 41.85 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.236 179.408 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -50.5 -25.67 4.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.822 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.689 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -79.11 -50.58 10.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.485 179.713 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.613 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 4.2 pt-20 -62.76 -25.35 68.16 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.736 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.11 -44.88 44.67 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.451 178.609 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.749 ' HE2' ' HG3' ' A' ' 12' ' ' LYS . 0.6 OUTLIER -55.06 -36.17 65.3 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-O 121.389 0.614 . . . . 0.0 109.479 178.683 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.498 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 32.0 m -71.98 -38.05 69.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.056 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.502 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -78.39 -64.0 1.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.879 0.325 . . . . 0.0 111.879 -179.557 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.3 p -55.51 -37.61 68.1 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.999 HD12 ' HD3' ' A' ' 8' ' ' ARG . 1.0 OUTLIER -79.86 -39.54 30.37 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 120.792 0.329 . . . . 0.0 111.348 -179.339 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.693 ' OH ' ' HD2' ' A' ' 8' ' ' ARG . 1.7 m-85 -127.67 118.77 21.32 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.683 -176.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -85.53 50.97 2.81 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.611 2.207 . . . . 0.0 111.706 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.653 ' HD3' ' H ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -93.96 162.59 13.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.271 0.558 . . . . 0.0 112.132 -178.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -97.75 -19.54 24.37 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 178.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.653 ' H ' ' HD3' ' A' ' 30' ' ' ARG . 4.0 mt-30 -110.87 17.17 20.81 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 121.005 0.431 . . . . 0.0 110.247 179.386 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.549 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 43.8 t -99.32 143.84 29.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.902 179.527 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.475 HG23 ' N ' ' A' ' 35' ' ' CYS . 5.5 t -177.05 -156.55 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.202 -179.386 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.475 ' N ' HG23 ' A' ' 34' ' ' THR . 0.6 OUTLIER -95.92 125.3 40.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.19 0.519 . . . . 0.0 111.532 -179.077 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 8.2 t -123.62 124.89 43.8 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.874 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -133.24 148.92 52.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.322 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.87 -71.54 0.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -168.25 46.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.739 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.4 mtt -150.18 164.12 36.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.045 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -60.93 -28.78 69.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.048 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.15 142.53 31.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.454 0.645 . . . . 0.0 111.563 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.642 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 2.2 p80 -151.1 -172.85 4.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.015 -0.993 . . . . 0.0 108.972 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.539 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 79.7 p -153.84 -156.93 0.73 Allowed 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.971 177.773 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.429 ' HB2' ' H ' ' A' ' 7' ' ' THR . 75.7 m -99.47 171.85 7.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.862 0.363 . . . . 0.0 111.325 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.472 ' HA ' ' HB2' ' A' ' 6' ' ' CYS . 12.1 t70 -150.21 50.21 0.9 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.445 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.549 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -71.25 -21.18 62.14 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.388 0.613 . . . . 0.0 109.847 179.122 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.466 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -126.43 137.12 53.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.351 -179.765 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.32 86.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.672 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 48' ' ' LYS . 62.3 m . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.831 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.213 0 N-CA-C 111.27 0.1 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.853 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 15.9 p -39.9 120.75 1.19 Allowed 'General case' 0 N--CA 1.463 0.204 0 O-C-N 123.037 0.21 . . . . 0.0 111.13 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.527 ' H ' ' HB2' ' A' ' 45' ' ' CYS . 1.5 p 62.35 134.33 0.01 OUTLIER 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.274 0.559 . . . . 0.0 111.867 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.792 ' H ' ' HZ1' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -99.18 37.18 1.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.895 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.69 11.04 11.84 Favored Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.752 -178.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.437 ' HA ' ' HB3' ' A' ' 44' ' ' SER . 0.6 OUTLIER 59.62 78.71 0.26 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.45 -0.375 . . . . 0.0 110.462 -179.634 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.51 55.61 0.91 Allowed 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -179.365 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.792 ' HZ1' ' H ' ' A' ' 8' ' ' ARG . 4.7 mptt -110.96 159.94 17.26 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 178.199 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.431 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.1 OUTLIER -150.31 153.05 35.43 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 -178.367 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 101.82 48.23 1.4 Allowed Glycine 0 C--N 1.34 0.757 0 CA-C-N 115.324 -0.853 . . . . 0.0 113.735 178.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 14' ' ' GLY . 3.7 mttp 28.21 83.92 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 122.521 0.328 . . . . 0.0 111.539 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.647 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.6 OUTLIER 50.75 50.55 18.75 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.498 0.666 . . . . 0.0 109.596 -178.577 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.537 ' H ' ' HE1' ' A' ' 43' ' ' HIS . 0.7 OUTLIER -69.87 159.21 34.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.369 -179.239 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.615 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -55.17 -54.94 36.86 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.012 179.186 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -51.74 -23.26 4.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.529 179.726 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.511 ' HG3' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -78.68 -51.58 9.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.351 179.668 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.615 ' HG2' ' O ' ' A' ' 18' ' ' THR . 6.1 pt-20 -64.16 -24.9 67.85 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.72 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.44 -37.29 37.38 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.004 179.214 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.737 ' HG2' ' HE3' ' A' ' 12' ' ' LYS . 1.4 tptt -54.49 -46.22 73.39 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.501 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 2.0 m -68.36 -41.97 79.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.221 -0.9 . . . . 0.0 112.155 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.483 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -73.39 -69.41 0.43 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.734 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.572 ' OG1' HD12 ' A' ' 27' ' ' LEU . 57.0 p -50.3 -42.79 53.13 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.881 0.696 . . . . 0.0 112.881 -178.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.651 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 6.2 mp -85.33 -40.54 16.42 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -178.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.515 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -108.4 126.2 30.14 Favored Pre-proline 0 CA--C 1.532 0.259 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.862 -179.076 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -92.61 38.68 0.24 Allowed 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 122.823 2.349 . . . . 0.0 113.33 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.689 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -80.77 138.21 36.27 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.866 0.365 . . . . 0.0 111.594 -179.914 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.86 -11.84 83.36 Favored Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 110.529 -1.029 . . . . 0.0 110.529 178.1 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.513 ' H ' ' HD2' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -125.87 37.42 4.35 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.033 -0.583 . . . . 0.0 110.217 179.579 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.657 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 2.0 t -98.64 153.01 19.0 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.706 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.474 HG23 ' N ' ' A' ' 35' ' ' CYS . 1.3 t -178.3 -167.36 0.13 Allowed 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 120.577 -0.449 . . . . 0.0 112.025 -179.034 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.474 ' N ' HG23 ' A' ' 34' ' ' THR . 0.1 OUTLIER -97.49 147.0 24.69 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.993 0.425 . . . . 0.0 111.179 -179.42 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.486 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 10.7 t -144.59 129.35 18.26 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.043 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.448 ' OD2' ' HB3' ' A' ' 43' ' ' HIS . 14.0 t70 -137.58 161.16 37.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.655 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.9 -79.47 0.58 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.974 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.63 43.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.638 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 17.7 mtp -146.01 168.08 21.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.941 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -65.58 -26.13 67.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.001 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -103.77 142.39 34.44 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.326 0.584 . . . . 0.0 111.689 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.647 ' CE1' ' H ' ' A' ' 16' ' ' CYS . 2.3 p80 -151.29 -168.01 2.97 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.032 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.505 ' HB2' ' HZ3' ' A' ' 12' ' ' LYS . 83.4 p -152.99 -154.48 0.53 Allowed 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.709 177.466 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.527 ' HB2' ' H ' ' A' ' 7' ' ' THR . 97.6 m -99.6 177.96 5.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.32 0.581 . . . . 0.0 112.354 -178.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.417 ' HB2' ' HB2' ' A' ' 36' ' ' SER . 13.7 t0 -145.95 39.31 1.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.988 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.689 ' SG ' ' HB2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -48.25 -28.02 2.82 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.815 179.433 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.853 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -150.11 145.96 26.63 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.889 -179.21 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.45 ' N ' ' HD3' ' A' ' 48' ' ' LYS . 0.2 OUTLIER -63.26 85.92 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.879 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.6 p . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.909 -179.794 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.269 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.769 ' HB2' ' HA ' ' A' ' 46' ' ' ASP . 0.5 OUTLIER 63.74 137.97 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.268 179.884 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.565 ' OG1' ' HB2' ' A' ' 44' ' ' SER . 13.7 t 40.31 -162.87 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.451 ' HG2' ' NZ ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -139.45 43.65 2.0 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.231 0.538 . . . . 0.0 109.55 -179.808 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.453 ' H ' HG23 ' A' ' 7' ' ' THR . . . 110.16 16.22 10.73 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.432 -178.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.522 ' HA ' ' CB ' ' A' ' 44' ' ' SER . 1.0 OUTLIER 57.65 76.19 0.34 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.771 -0.214 . . . . 0.0 110.44 -179.619 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.504 ' HG3' ' HE3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -144.25 52.89 1.27 Allowed 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -179.449 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.768 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -115.12 155.41 27.15 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 178.085 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.01 159.45 44.38 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -177.628 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.446 ' HA3' ' OG1' ' A' ' 17' ' ' THR . . . 104.01 44.09 1.68 Allowed Glycine 0 C--N 1.338 0.642 0 CA-C-N 115.087 -0.961 . . . . 0.0 113.447 179.173 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 14' ' ' GLY . 0.2 OUTLIER 28.71 83.78 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 122.525 0.33 . . . . 0.0 111.301 -179.764 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.63 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 52.57 51.47 16.03 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.39 0.614 . . . . 0.0 109.803 -178.494 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.678 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -72.63 153.98 40.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.222 -179.379 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.599 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -54.69 -55.08 33.61 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.043 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -50.53 -27.8 7.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.624 179.607 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.678 ' H ' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -74.32 -51.83 14.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.52 179.679 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.599 ' HG2' ' O ' ' A' ' 18' ' ' THR . 7.8 pt-20 -61.31 -33.81 74.2 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.37 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.25 -36.5 69.08 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.887 178.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.64 ' HE3' ' HE2' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -55.04 -47.05 75.29 Favored 'General case' 0 C--O 1.223 -0.334 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.795 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.584 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 3.2 m -65.53 -34.92 79.38 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.514 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.518 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -72.03 -69.84 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.604 -179.514 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.2 p -51.98 -33.63 38.83 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.56 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -81.84 -43.56 18.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.76 0.314 . . . . 0.0 111.244 -179.717 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.633 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 2.3 m-85 -134.58 101.22 12.03 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.228 -177.787 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -72.83 73.64 2.97 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.837 2.358 . . . . 0.0 111.236 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.444 ' HB2' ' CB ' ' A' ' 33' ' ' CYS . 15.3 mmm180 -118.71 179.77 4.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.338 0.59 . . . . 0.0 111.774 -178.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -105.16 -16.36 16.79 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.066 178.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.97 10.23 15.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.186 0.517 . . . . 0.0 110.305 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.633 ' SG ' ' HB2' ' A' ' 28' ' ' TYR . 45.9 t -100.44 98.32 8.96 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.789 179.254 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.501 HG23 ' N ' ' A' ' 35' ' ' CYS . 11.6 t -144.37 -146.69 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.284 -179.013 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.501 ' N ' HG23 ' A' ' 34' ' ' THR . 0.0 OUTLIER -96.86 130.51 44.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.167 0.508 . . . . 0.0 111.457 -179.101 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 25.2 t -133.27 125.65 29.75 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.488 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.418 ' HB2' ' HB3' ' A' ' 43' ' ' HIS . 28.8 t70 -143.02 156.19 44.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.737 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.3 -63.05 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.746 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.03 41.75 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.598 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.5 mtp -138.48 165.26 27.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.986 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -64.18 -29.42 70.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.132 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.02 141.81 32.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.555 0.693 . . . . 0.0 111.559 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.665 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 2.5 p80 -151.13 -176.33 5.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.767 -1.106 . . . . 0.0 108.57 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.599 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 91.3 p -153.9 -163.44 1.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.049 -0.66 . . . . 0.0 111.961 177.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.562 ' H ' ' HB ' ' A' ' 7' ' ' THR . 55.0 m -99.77 135.52 41.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.028 -179.521 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.769 ' HA ' ' HB2' ' A' ' 6' ' ' CYS . 15.9 t0 -117.33 51.71 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.821 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.539 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.4 OUTLIER -59.75 -24.57 64.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.351 179.404 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.449 ' H ' ' CB ' ' A' ' 6' ' ' CYS . 2.7 tmtt? -140.58 135.65 32.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.676 -179.57 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.19 98.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.135 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.0 p . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.314 -0.851 . . . . 0.0 110.948 -179.715 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.554 0.216 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.564 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 19.6 p -45.64 111.65 0.37 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.19 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.882 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.7 OUTLIER 57.98 157.5 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.394 0.616 . . . . 0.0 112.409 179.488 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.1 mtp85 -101.37 31.22 3.81 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.323 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.24 17.66 6.13 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.194 -178.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 63.7 86.01 0.13 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.738 -0.231 . . . . 0.0 110.404 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.609 ' HD2' ' HE3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -154.06 51.19 0.66 Allowed 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -179.549 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.64 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 0.1 OUTLIER -112.1 156.03 22.9 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 178.142 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.419 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -148.33 155.48 41.34 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -178.111 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.521 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 97.31 60.9 0.94 Allowed Glycine 0 C--N 1.338 0.681 0 CA-C-N 115.289 -0.869 . . . . 0.0 112.942 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.521 ' C ' ' O ' ' A' ' 14' ' ' GLY . 0.6 OUTLIER 13.35 87.9 0.01 OUTLIER 'General case' 0 C--N 1.346 0.45 0 C-N-CA 123.171 0.588 . . . . 0.0 112.056 -179.556 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.3 t 52.35 62.11 2.86 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.354 0.597 . . . . 0.0 109.459 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.637 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -82.01 156.12 24.81 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.055 -179.004 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.416 HG22 ' N ' ' A' ' 19' ' ' LEU . 2.7 m -53.61 -70.08 0.1 Allowed 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.15 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.422 ' HA ' HD22 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -43.42 -24.24 0.09 Allowed 'General case' 0 CA--C 1.522 -0.122 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.63 179.889 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.637 ' H ' HG22 ' A' ' 17' ' ' THR . 2.1 tm-20 -76.16 -63.73 1.26 Allowed 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 120.936 0.398 . . . . 0.0 110.147 179.271 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -53.65 -28.61 34.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.242 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.42 -39.8 45.68 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.127 179.098 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.62 ' HE2' ' HG3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -52.16 -45.2 64.98 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.802 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.53 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 3.2 m -70.09 -37.06 75.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.91 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.522 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -75.01 -68.37 0.56 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -179.201 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.8 p -50.65 -42.09 56.1 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.612 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.9 mp -85.41 -40.3 16.6 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -178.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.509 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -111.65 96.62 33.39 Favored Pre-proline 0 CA--C 1.53 0.192 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.925 -178.829 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -74.83 72.87 4.4 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.289 1.993 . . . . 0.0 111.749 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.564 ' HD2' ' H ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -115.91 -177.53 3.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.299 0.571 . . . . 0.0 112.182 -179.058 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.564 ' H ' ' HD2' ' A' ' 30' ' ' ARG . . . -112.38 -33.14 2.17 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.166 178.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.525 ' HG3' ' NH2' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -98.63 12.85 34.06 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.208 0.527 . . . . 0.0 110.056 179.084 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.561 ' O ' ' HB ' ' A' ' 34' ' ' THR . 20.0 t -101.17 147.06 26.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.308 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.561 ' HB ' ' O ' ' A' ' 33' ' ' CYS . 14.7 t 173.63 -140.43 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 O-C-N 123.287 0.367 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.545 ' N ' HG23 ' A' ' 34' ' ' THR . 0.0 OUTLIER -96.9 133.53 41.41 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.081 0.467 . . . . 0.0 111.294 -179.426 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.473 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.1 OUTLIER -141.81 118.94 11.33 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.802 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.44 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 26.7 t70 -129.18 156.39 44.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.808 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.8 m -99.85 -76.62 0.54 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.857 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -168.76 38.82 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.706 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 28.7 mtm -139.61 -172.86 3.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.797 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -80.38 -28.04 38.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.17 140.55 37.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.441 0.639 . . . . 0.0 111.515 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.64 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 5.4 p-80 -150.99 -172.14 4.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.968 -1.015 . . . . 0.0 108.979 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.56 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 78.8 p -154.27 -143.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 121.101 -0.24 . . . . 0.0 110.402 177.724 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.882 ' H ' HG22 ' A' ' 7' ' ' THR . 3.3 m -111.2 178.65 4.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.836 0.351 . . . . 0.0 111.395 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -150.53 40.02 0.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.053 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.517 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -56.52 -26.35 54.39 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.365 0.602 . . . . 0.0 110.042 179.303 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.595 ' HB3' ' SG ' ' A' ' 50' ' ' CYS . 8.6 tttm -130.5 150.87 51.52 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.749 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.31 77.33 0.16 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.556 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.595 ' SG ' ' HB3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.792 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 5' ' ' ARG . 7.3 ptt180 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.773 0.32 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.603 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 2.7 p -46.5 137.81 6.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.314 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.823 ' H ' ' HB2' ' A' ' 45' ' ' CYS . 0.4 OUTLIER 59.7 149.87 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.101 0 CA-C-O 121.415 0.626 . . . . 0.0 112.551 179.153 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.728 ' HD3' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.71 35.19 2.05 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.518 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.55 15.32 8.89 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 114.825 -1.079 . . . . 0.0 110.667 -178.17 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.439 ' HA ' ' CB ' ' A' ' 44' ' ' SER . 0.8 OUTLIER 60.09 82.06 0.16 Allowed 'General case' 0 C--O 1.231 0.121 0 CA-C-N 115.309 -0.446 . . . . 0.0 110.566 -179.622 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.67 49.87 0.87 Allowed 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -179.636 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.671 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 0.5 OUTLIER -109.02 155.12 21.28 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 177.907 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.15 155.77 42.42 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 -177.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.503 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 97.92 58.94 0.96 Allowed Glycine 0 C--N 1.339 0.703 0 CA-C-N 115.228 -0.896 . . . . 0.0 113.108 179.521 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.503 ' C ' ' O ' ' A' ' 14' ' ' GLY . 90.4 mttt 16.98 83.7 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 122.995 0.518 . . . . 0.0 111.999 -179.632 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.416 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.4 OUTLIER 53.32 59.96 4.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.592 -178.637 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.554 ' HB ' ' HG2' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -82.97 154.47 24.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.733 -179.794 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.557 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.3 m -52.55 -55.53 21.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.76 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.39 -23.77 2.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.434 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.554 ' HG2' ' HB ' ' A' ' 17' ' ' THR . 5.1 mm-40 -82.22 -49.16 10.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.595 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 18' ' ' THR . 12.3 pt-20 -63.48 -25.74 68.4 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 178.438 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.34 -43.65 40.05 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.693 178.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.553 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -50.9 -43.54 59.83 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 121.217 0.532 . . . . 0.0 109.692 178.894 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.584 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 17.8 m -64.71 -50.12 68.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.912 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.438 ' HE3' ' O ' ' A' ' 33' ' ' CYS . 0.8 OUTLIER -69.69 -68.41 0.41 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.258 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.44 ' OG1' HD23 ' A' ' 27' ' ' LEU . 62.6 p -45.87 -35.12 4.28 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.127 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.728 HD12 ' HD3' ' A' ' 8' ' ' ARG . 0.1 OUTLIER -85.1 -44.93 12.55 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.89 0.376 . . . . 0.0 110.41 -179.918 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.538 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -116.58 122.57 31.6 Favored Pre-proline 0 N--CA 1.462 0.15 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.402 -177.875 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -80.78 37.11 0.66 Allowed 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.326 2.017 . . . . 0.0 111.202 178.568 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.464 ' HG2' ' HB3' ' A' ' 47' ' ' CYS . 4.5 mpt_? -68.48 170.09 9.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.363 -178.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -117.23 -14.07 7.28 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.045 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -122.0 17.57 10.89 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 120.938 0.399 . . . . 0.0 110.437 179.46 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.584 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 17.0 t -99.69 153.77 18.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.269 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.488 HG23 ' N ' ' A' ' 35' ' ' CYS . 6.9 t 179.69 -152.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.077 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.488 ' N ' HG23 ' A' ' 34' ' ' THR . 0.9 OUTLIER -97.75 135.48 39.46 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.105 0.478 . . . . 0.0 111.362 -179.415 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.481 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 64.0 p -137.54 122.97 19.56 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.592 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -129.52 151.84 49.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.703 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.12 -81.66 0.46 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.848 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -159.91 48.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.742 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.5 mtp -147.55 -179.56 6.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.839 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -82.51 -4.4 57.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.583 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.81 141.78 51.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.399 0.618 . . . . 0.0 111.467 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.671 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.0 p-80 -150.83 -172.95 4.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.983 -1.008 . . . . 0.0 108.897 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.509 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 65.8 p -154.28 -143.3 0.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.726 177.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.823 ' HB2' ' H ' ' A' ' 7' ' ' THR . 58.6 m -105.12 173.44 6.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.906 0.384 . . . . 0.0 111.68 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -150.92 46.76 0.85 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.216 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.579 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -65.96 -21.95 66.45 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.305 0.574 . . . . 0.0 110.08 179.424 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.603 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 1.8 tmtt? -135.76 125.0 24.6 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.134 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.8 t -38.75 93.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.407 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.422 ' N ' ' O ' ' A' ' 48' ' ' LYS . 26.2 p . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.923 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.864 0.364 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.716 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 1.7 p -50.57 123.72 9.38 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.232 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.493 ' HA ' ' NH1' ' A' ' 8' ' ' ARG . 0.6 OUTLIER 62.31 143.29 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.102 0 CA-C-O 121.35 0.595 . . . . 0.0 111.977 179.637 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.99 ' HD2' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.96 32.3 2.97 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 178.579 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.98 6.17 2.89 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 114.572 -1.195 . . . . 0.0 110.925 -178.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.3 t80 56.09 88.28 0.05 OUTLIER 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.482 -0.359 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.48 ' H ' ' HZ2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -163.12 57.98 0.19 Allowed 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -179.893 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.736 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -111.73 158.24 19.56 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 178.293 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.459 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -150.44 158.85 44.61 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -177.74 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.479 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 98.84 52.34 1.29 Allowed Glycine 0 C--N 1.34 0.778 0 CA-C-N 115.214 -0.903 . . . . 0.0 113.589 178.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 14' ' ' GLY . 1.6 mtmm 22.05 84.67 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 122.741 0.416 . . . . 0.0 111.678 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.9 t 53.63 55.78 8.11 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.257 0.551 . . . . 0.0 109.812 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.51 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -75.99 155.33 35.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.195 -179.283 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 m -55.26 -55.71 28.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.006 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -51.91 -23.48 5.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.863 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.527 ' HG3' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -74.89 -52.37 11.45 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.305 179.657 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.613 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 3.0 pt-20 -63.3 -34.83 78.53 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.52 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -71.21 -32.84 69.31 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.915 179.036 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.67 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -55.07 -64.93 0.68 Allowed 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.802 179.378 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.515 ' SG ' ' HB3' ' A' ' 33' ' ' CYS . 0.8 OUTLIER -68.56 -16.89 64.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.417 179.694 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.613 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -70.69 -72.73 0.19 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.814 0.34 . . . . 0.0 110.958 -179.536 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.5 p -57.49 -27.81 62.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.237 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.99 HD22 ' HD2' ' A' ' 8' ' ' ARG . 0.1 OUTLIER -81.0 -33.95 33.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.403 -179.78 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.6 ' CE2' ' HB3' ' A' ' 27' ' ' LEU . 4.7 m-85 -141.11 109.84 6.42 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.561 -178.686 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -83.48 51.43 3.54 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.809 2.339 . . . . 0.0 112.341 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.751 ' HD3' ' H ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -85.4 -157.66 0.33 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.402 -179.7 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.751 ' H ' ' HD3' ' A' ' 30' ' ' ARG . . . -125.08 -8.54 5.52 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 178.342 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -134.87 15.08 3.6 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.324 -0.438 . . . . 0.0 110.626 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.64 ' SG ' ' HB2' ' A' ' 30' ' ' ARG . 85.6 m -99.59 63.97 1.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.71 179.307 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.492 HG23 ' N ' ' A' ' 35' ' ' CYS . 8.9 t -115.15 -130.46 0.31 Allowed 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.662 -178.678 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.492 ' N ' HG23 ' A' ' 34' ' ' THR . 0.0 OUTLIER -98.83 146.23 26.15 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.967 0.413 . . . . 0.0 111.471 -179.298 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.513 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 10.6 t -149.85 106.82 3.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.344 179.508 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.518 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 29.9 t0 -115.19 162.71 16.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.554 -179.294 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.6 t -130.09 16.35 5.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.557 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 85.1 mttt 68.12 66.07 0.35 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.216 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.491 ' O ' ' HB3' ' A' ' 41' ' ' ASN . 8.4 mtp -150.5 17.22 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.78 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.491 ' HB3' ' O ' ' A' ' 40' ' ' MET . 40.3 t30 77.2 -41.15 0.37 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.572 -179.147 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -105.72 140.21 39.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.146 0.498 . . . . 0.0 110.449 178.789 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.601 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 6.7 p-80 -150.75 -171.14 3.85 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.603 -179.47 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.553 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 74.5 p -153.26 -149.15 0.28 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.238 177.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.591 ' HB3' HH22 ' A' ' 8' ' ' ARG . 0.0 OUTLIER -119.56 147.54 44.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.129 0.49 . . . . 0.0 112.032 -179.218 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -101.57 49.95 0.86 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.139 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.545 ' CB ' ' HA ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -49.45 -29.73 6.99 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.355 179.529 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.716 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 7.3 tttm -144.35 141.45 29.73 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.377 -1.283 . . . . 0.0 110.525 -179.4 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.7 t -56.21 93.54 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.736 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 27.0 p . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.908 -179.737 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.733 0.301 . . . . 0.0 111.143 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.651 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 1.6 p -48.25 122.79 5.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 179.699 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.559 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.6 OUTLIER 59.54 147.21 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 121.124 0.488 . . . . 0.0 112.005 179.696 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.796 ' HD2' HD12 ' A' ' 27' ' ' LEU . 2.6 mtp-105 -99.46 29.71 3.89 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 178.241 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 130.74 14.83 1.83 Allowed Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 114.411 -1.268 . . . . 0.0 111.144 -178.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.3 t80 57.83 86.46 0.08 Allowed 'General case' 0 C--O 1.231 0.124 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -153.22 55.87 0.77 Allowed 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 -179.219 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.739 ' HG3' ' HE2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -111.96 150.97 29.79 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 177.674 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.4 ' H ' ' CD ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -146.7 154.76 41.8 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -177.603 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.498 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 104.89 45.65 1.36 Allowed Glycine 0 C--N 1.337 0.598 0 CA-C-N 115.171 -0.922 . . . . 0.0 113.28 179.162 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.475 ' N ' ' HE1' ' A' ' 43' ' ' HIS . 0.9 OUTLIER 31.51 82.17 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.72 0.295 . . . . 0.0 111.236 -179.882 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.458 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 49.71 53.82 12.1 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.353 0.597 . . . . 0.0 109.994 -178.591 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.573 ' HB ' ' HG2' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -74.18 155.7 38.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.101 -179.523 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.445 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -50.65 -59.94 3.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.544 179.466 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.426 ' N ' HG22 ' A' ' 18' ' ' THR . 0.2 OUTLIER -46.07 -37.97 7.4 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.227 -179.858 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.573 ' HG2' ' HB ' ' A' ' 17' ' ' THR . 5.8 mm-40 -65.79 -53.06 45.35 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.98 -179.386 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 18' ' ' THR . 8.8 pt-20 -59.76 -34.17 72.63 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 178.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.432 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -65.73 -41.8 91.79 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.34 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.739 ' HE2' ' HG3' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -53.49 -50.18 65.9 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 178.493 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.462 ' HA ' ' HD2' ' A' ' 28' ' ' TYR . 2.9 m -52.53 -38.77 60.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.034 179.116 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.86 -77.01 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.128 -179.343 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.7 p -45.92 -35.89 5.0 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.796 HD12 ' HD2' ' A' ' 8' ' ' ARG . 2.8 mm? -80.69 -42.01 22.72 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 111.387 -179.435 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.462 ' HD2' ' HA ' ' A' ' 24' ' ' CYS . 1.4 m-85 -129.22 110.82 18.09 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 -177.52 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -80.4 63.56 8.77 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.502 2.135 . . . . 0.0 111.962 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.53 ' HB2' ' CB ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -107.71 169.35 8.65 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.307 0.575 . . . . 0.0 112.09 -179.051 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -102.79 -16.03 22.89 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.88 178.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -115.27 14.52 16.88 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.007 0.432 . . . . 0.0 110.256 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.706 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 49.3 t -99.59 137.9 37.44 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.685 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.471 HG23 ' N ' ' A' ' 35' ' ' CYS . 6.0 t -171.75 -155.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.232 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.471 ' N ' HG23 ' A' ' 34' ' ' THR . 1.3 t -96.51 117.35 30.73 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.241 0.543 . . . . 0.0 111.543 -178.744 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.0 p -115.45 131.52 56.9 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.449 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -147.03 158.14 43.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.75 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.6 m -106.79 -66.95 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.674 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -174.26 47.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.79 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.5 mmm -141.34 163.26 33.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -63.56 -20.62 65.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.84 143.04 40.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.475 0.655 . . . . 0.0 111.467 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.654 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.1 p-80 -150.92 -172.94 4.34 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.824 -1.08 . . . . 0.0 108.673 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.599 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 73.9 p -154.13 -154.65 0.53 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.862 177.645 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.559 ' H ' HG22 ' A' ' 7' ' ' THR . 45.0 m -121.68 118.66 29.69 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.876 0.369 . . . . 0.0 111.263 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -99.55 71.2 1.72 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.971 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.706 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 1.6 m -69.93 -23.28 63.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.58 0.705 . . . . 0.0 109.367 178.442 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.651 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -128.13 135.22 49.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.22 179.735 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.6 t -55.24 87.96 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.761 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.402 ' N ' ' O ' ' A' ' 48' ' ' LYS . 7.7 p . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.943 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.714 0.293 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.66 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 1.6 p -49.11 128.01 15.56 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.639 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.487 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.6 OUTLIER 60.45 135.84 0.01 OUTLIER 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.98 0.419 . . . . 0.0 111.386 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.552 ' NE ' ' HE2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -99.26 31.51 3.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.696 0.76 . . . . 0.0 109.136 178.667 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 136.72 5.7 1.9 Allowed Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 114.484 -1.235 . . . . 0.0 111.093 -179.094 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.4 t80 57.1 85.58 0.08 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.656 -0.272 . . . . 0.0 110.585 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.05 55.0 0.65 Allowed 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.639 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 0.4 OUTLIER -112.08 159.23 18.7 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 177.891 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.462 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -150.8 161.5 42.54 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -178.227 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.516 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 94.78 58.45 1.18 Allowed Glycine 0 C--N 1.339 0.713 0 CA-C-N 115.309 -0.859 . . . . 0.0 113.349 179.077 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.516 ' C ' ' O ' ' A' ' 14' ' ' GLY . 30.7 mttt 14.39 88.52 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.109 0.563 . . . . 0.0 112.053 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.1 t 52.56 58.72 5.09 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.336 0.588 . . . . 0.0 109.716 -178.559 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.692 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -79.22 155.94 28.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.539 -178.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.616 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.5 m -57.31 -57.21 13.61 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.476 ' HA ' HD22 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -51.58 -21.8 2.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.648 179.586 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.692 ' H ' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -77.66 -52.87 8.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.439 179.639 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.616 ' HG2' ' O ' ' A' ' 18' ' ' THR . 7.4 pt-20 -64.13 -30.31 71.39 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.311 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.35 -34.52 55.14 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.05 179.188 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.535 ' HG3' HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -52.53 -63.79 1.03 Allowed 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.661 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.58 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 1.1 m -51.91 -53.41 41.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.264 179.182 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.538 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -52.04 -40.98 61.91 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -178.748 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.51 -39.98 85.15 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -178.585 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.539 HD22 ' HD3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -83.69 -48.31 10.29 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.903 -179.206 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.552 ' HE2' ' NE ' ' A' ' 8' ' ' ARG . 1.7 m-85 -122.99 111.79 30.63 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.027 -179.013 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -81.25 44.37 1.73 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.619 2.213 . . . . 0.0 111.982 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.522 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 8.8 mmt180 -76.59 -175.49 3.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.869 -179.373 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -107.05 -13.94 20.17 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.257 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -121.96 12.03 10.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.235 0.54 . . . . 0.0 110.376 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.58 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 18.1 t -99.99 69.99 1.56 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.785 179.487 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.524 HG23 ' N ' ' A' ' 35' ' ' CYS . 12.3 t -122.57 -132.93 0.28 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.428 -178.756 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.524 ' N ' HG23 ' A' ' 34' ' ' THR . 0.0 OUTLIER -97.49 137.7 36.04 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.132 0.491 . . . . 0.0 111.302 -179.271 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.514 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.6 OUTLIER -145.85 112.14 5.78 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.496 179.816 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -123.87 156.06 36.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.95 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.4 m -100.21 -74.33 0.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.755 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.38 38.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.96 -173.59 3.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.814 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -82.48 -17.71 44.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.847 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.47 140.12 47.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.373 0.606 . . . . 0.0 111.579 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.639 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 7.7 p-80 -151.22 -172.51 4.23 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.93 -1.032 . . . . 0.0 108.937 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.596 ' HB2' ' HE2' ' A' ' 12' ' ' LYS . 77.8 p -153.91 -146.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.701 177.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.487 ' H ' HG22 ' A' ' 7' ' ' THR . 5.1 m -109.11 177.39 4.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.036 0.446 . . . . 0.0 111.55 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -149.5 47.2 0.96 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.853 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.516 ' HB3' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -58.82 -24.91 62.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.306 179.414 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.66 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -127.34 141.46 51.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.653 -179.679 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.16 91.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.962 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 25.7 p . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.945 -179.879 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.906 0.384 . . . . 0.0 111.462 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.539 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER -49.66 139.85 12.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.227 179.685 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.827 ' H ' ' HB2' ' A' ' 45' ' ' CYS . 0.6 OUTLIER 59.84 153.06 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.366 0.603 . . . . 0.0 112.352 179.237 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.543 ' H ' ' HZ3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -99.73 34.74 2.17 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.401 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.3 14.61 8.19 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.762 -178.374 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 60.78 84.15 0.13 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.527 -0.336 . . . . 0.0 110.489 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.71 53.1 0.59 Allowed 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.672 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -110.99 154.01 24.75 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 178.239 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -148.96 155.81 41.36 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -177.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.494 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 102.85 47.95 1.31 Allowed Glycine 0 C--N 1.338 0.663 0 CA-C-N 115.27 -0.877 . . . . 0.0 113.199 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.46 ' N ' ' HE1' ' A' ' 43' ' ' HIS . 1.8 mmtp 27.28 83.12 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.815 0.34 . . . . 0.0 111.525 -179.557 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.415 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 52.36 52.59 13.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.196 0.522 . . . . 0.0 110.504 -179.109 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.563 ' HB ' ' HG2' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -75.62 154.22 36.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.635 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.589 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -51.72 -55.43 19.67 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.659 179.557 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -50.24 -25.66 3.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.403 -179.698 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.563 ' HG2' ' HB ' ' A' ' 17' ' ' THR . 3.6 mm-40 -80.03 -49.45 11.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.486 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.589 ' HG2' ' HA ' ' A' ' 18' ' ' THR . 7.3 pt-20 -65.94 -23.01 66.53 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 178.653 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.24 -38.49 35.46 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.619 178.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.624 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -53.73 -51.0 64.72 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.53 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.569 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 3.3 m -67.99 -33.68 75.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.044 -0.98 . . . . 0.0 112.198 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.541 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -77.72 -72.25 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.08 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.424 ' OG1' HD12 ' A' ' 27' ' ' LEU . 81.9 p -48.14 -39.65 21.29 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -179.074 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.624 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.7 mp -85.49 -38.44 18.58 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.771 -179.193 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.542 ' OH ' ' HD2' ' A' ' 8' ' ' ARG . 0.2 OUTLIER -116.14 105.36 51.03 Favored Pre-proline 0 CA--C 1.529 0.164 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.399 -178.558 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -79.91 69.85 7.76 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.181 1.921 . . . . 0.0 111.153 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.437 ' HE ' ' HA ' ' A' ' 30' ' ' ARG . 1.6 mmp_? -109.45 -176.42 3.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.424 0.63 . . . . 0.0 112.293 -178.8 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -118.54 -24.88 3.03 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 114.986 -1.007 . . . . 0.0 111.27 179.07 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.72 12.73 24.01 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.085 0.469 . . . . 0.0 110.285 179.382 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.569 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 32.1 t -101.13 145.39 28.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.364 179.578 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.49 HG23 ' N ' ' A' ' 35' ' ' CYS . 12.2 t -179.28 -147.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.011 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.49 ' N ' HG23 ' A' ' 34' ' ' THR . 0.5 OUTLIER -97.95 139.79 33.26 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.977 0.418 . . . . 0.0 111.215 -179.567 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.458 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.6 OUTLIER -139.04 111.73 7.72 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.606 179.822 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.407 ' HA ' ' HB3' ' A' ' 43' ' ' HIS . 23.8 t70 -126.19 158.67 35.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.026 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.4 m -117.55 -80.97 0.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.703 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.86 60.88 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.735 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.465 ' O ' ' HB3' ' A' ' 41' ' ' ASN . 5.7 mtm -150.07 14.42 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.31 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.465 ' HB3' ' O ' ' A' ' 40' ' ' MET . 50.4 t30 74.93 -32.35 0.22 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.18 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.413 ' H ' ' C ' ' A' ' 40' ' ' MET . 0.1 OUTLIER -100.24 143.89 29.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.227 0.537 . . . . 0.0 110.886 179.397 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.672 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 2.8 p-80 -150.47 -174.77 4.86 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.367 -179.603 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.488 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 77.7 p -154.12 -146.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.976 -0.289 . . . . 0.0 110.455 177.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.827 ' HB2' ' H ' ' A' ' 7' ' ' THR . 34.5 m -104.34 171.54 7.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.02 0.438 . . . . 0.0 111.413 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -150.63 43.24 0.82 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.412 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.543 ' HB3' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -62.66 -23.77 67.28 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.323 0.582 . . . . 0.0 109.883 179.174 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.539 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -132.43 136.14 46.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.532 -179.879 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.5 94.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.118 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 20.7 p . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.941 -179.956 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.748 0.308 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.756 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 12.4 p -49.51 127.4 15.36 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.009 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.87 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.6 OUTLIER 59.76 153.93 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.303 0.573 . . . . 0.0 112.325 179.414 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.416 ' NH1' ' HD2' ' A' ' 23' ' ' LYS . 11.7 mtp-105 -103.43 29.73 5.45 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 178.229 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.38 17.72 4.31 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.007 -178.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.4 t80 61.49 93.26 0.05 OUTLIER 'General case' 0 C--O 1.231 0.118 0 CA-C-N 115.716 -0.242 . . . . 0.0 110.84 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.01 52.35 0.27 Allowed 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.815 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -112.75 157.56 21.17 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 177.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.475 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.1 OUTLIER -148.83 155.39 40.85 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -178.243 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.475 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 95.75 59.68 1.06 Allowed Glycine 0 C--N 1.341 0.858 0 CA-C-N 115.174 -0.921 . . . . 0.0 113.421 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 14' ' ' GLY . 3.5 mttp 19.94 84.09 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 122.978 0.511 . . . . 0.0 111.932 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.669 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 49.3 55.76 8.85 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.551 0.691 . . . . 0.0 109.834 -178.516 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.55 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.6 OUTLIER -74.12 159.25 32.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.783 -1.099 . . . . 0.0 111.509 -179.103 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.585 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.1 m -57.12 -49.95 74.31 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.322 179.287 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.523 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 0.2 OUTLIER -54.86 -24.83 24.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.554 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.815 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -85.91 -41.23 15.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.623 179.267 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.585 ' HG2' ' HA ' ' A' ' 18' ' ' THR . 5.2 pt-20 -65.24 -34.19 77.78 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.089 179.71 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.625 ' HG3' ' H ' ' A' ' 23' ' ' LYS . 1.6 pp20? -72.07 -52.05 18.7 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 178.666 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.625 ' H ' ' HG3' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -38.77 -44.78 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.887 178.548 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 45.0 m -70.37 -45.54 65.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.244 -0.889 . . . . 0.0 112.718 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.483 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -72.31 -65.38 0.79 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.793 0.33 . . . . 0.0 111.83 -178.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.467 ' OG1' HD12 ' A' ' 27' ' ' LEU . 46.3 p -49.42 -44.45 45.36 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -179.115 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.613 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 6.2 mp -85.76 -40.4 16.12 Favored 'General case' 0 CA--C 1.528 0.121 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -178.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.515 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -111.4 114.13 53.21 Favored Pre-proline 0 CA--C 1.531 0.25 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.499 -178.337 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -89.03 89.76 0.4 Allowed 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 122.771 2.314 . . . . 0.0 111.541 178.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -139.28 -178.89 5.57 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.348 0.594 . . . . 0.0 112.263 -178.773 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.23 -32.13 2.66 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.144 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.41 15.09 28.97 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.352 0.596 . . . . 0.0 109.813 179.061 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.521 ' HB2' ' HB3' ' A' ' 47' ' ' CYS . 35.0 t -103.11 137.23 41.56 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.256 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.447 HG23 ' N ' ' A' ' 35' ' ' CYS . 6.7 t -177.24 -155.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.146 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.447 ' N ' HG23 ' A' ' 34' ' ' THR . 2.7 p -96.48 128.33 43.31 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 121.259 0.552 . . . . 0.0 111.086 -179.306 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.436 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 4.5 t -137.68 126.54 24.03 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.341 -179.386 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.474 ' HA ' ' HB3' ' A' ' 43' ' ' HIS . 1.8 p30 -119.57 164.95 15.07 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.597 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.5 m -101.3 -72.75 0.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.694 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.36 37.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.448 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 14.3 mtt -140.57 -158.01 0.82 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.603 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -92.22 -27.04 17.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.043 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.22 141.62 35.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.518 0.675 . . . . 0.0 111.638 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.669 ' CE1' ' H ' ' A' ' 16' ' ' CYS . 2.5 p80 -151.35 -174.12 4.72 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.768 -1.106 . . . . 0.0 108.748 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.596 ' HB2' ' HE2' ' A' ' 12' ' ' LYS . 90.9 p -154.51 -143.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.132 177.697 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.87 ' H ' HG22 ' A' ' 7' ' ' THR . 0.1 OUTLIER -101.09 170.62 8.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.065 0.46 . . . . 0.0 111.99 -179.342 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -150.79 33.69 0.61 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.393 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.521 ' HB3' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -57.44 -25.17 59.23 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.383 0.611 . . . . 0.0 109.935 179.096 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.756 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -133.22 136.18 45.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.398 -179.799 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.06 94.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.066 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 48' ' ' LYS . 29.7 p . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.93 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.416 ' HE ' ' HB2' ' A' ' 5' ' ' ARG . 7.1 ttm180 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.909 0.385 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.453 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 1.6 p -57.57 136.33 56.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.243 179.86 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.833 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.6 OUTLIER 58.5 165.67 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.3 0.571 . . . . 0.0 112.364 179.084 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.712 HH11 ' HD2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -107.58 23.56 14.26 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 177.976 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.21 20.25 2.5 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 114.142 -1.39 . . . . 0.0 110.926 -178.367 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.439 ' HD1' ' OG ' ' A' ' 44' ' ' SER . 51.7 t80 63.29 88.66 0.1 Allowed 'General case' 0 C--O 1.231 0.107 0 CA-C-N 115.601 -0.3 . . . . 0.0 110.449 -179.589 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.536 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -158.56 52.0 0.41 Allowed 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -179.611 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.794 ' HE2' ' HG2' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -111.98 150.5 30.48 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 177.398 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -142.86 153.27 43.0 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 -177.415 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.492 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 108.78 36.73 2.16 Favored Glycine 0 C--N 1.338 0.693 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.919 179.354 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.511 ' N ' ' CE1' ' A' ' 43' ' ' HIS . 5.5 mttt 33.96 86.24 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.008 0.432 . . . . 0.0 111.133 -179.028 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.421 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 49.28 55.62 9.06 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.249 -178.194 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.582 ' HB ' ' HG2' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -81.24 153.7 27.01 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.631 -179.831 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.563 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.9 m -52.0 -59.28 4.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.876 179.693 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.16 -22.92 1.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.523 -179.513 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.696 ' HB3' ' HB3' ' A' ' 12' ' ' LYS . 9.7 mm-40 -84.05 -48.14 10.21 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.861 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.563 ' HG2' ' HA ' ' A' ' 18' ' ' THR . 1.4 pt-20 -62.87 -29.64 70.9 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.878 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.459 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -78.07 -40.24 39.16 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.476 179.156 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.794 ' HG2' ' HE2' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -49.85 -56.9 8.67 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.746 0.784 . . . . 0.0 109.15 178.766 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.558 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -66.54 -29.8 69.96 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.756 -1.111 . . . . 0.0 111.236 179.588 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.548 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -72.13 -77.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.205 -0.452 . . . . 0.0 112.094 -179.522 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.9 p -48.98 -31.74 7.97 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.754 0.649 . . . . 0.0 112.754 -178.954 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.581 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 4.6 mp -85.41 -34.51 21.69 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.294 -179.503 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.64 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -120.32 106.08 40.99 Favored Pre-proline 0 CA--C 1.531 0.237 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.805 -179.236 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -82.82 90.05 1.08 Allowed 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.373 2.049 . . . . 0.0 112.058 179.451 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -141.51 -173.17 3.69 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.261 0.553 . . . . 0.0 111.996 -179.067 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -107.28 -49.95 0.84 Allowed Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.143 178.79 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.491 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 27.7 mm-40 -82.61 12.54 4.54 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.535 0.683 . . . . 0.0 109.505 178.687 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.64 ' SG ' ' HB2' ' A' ' 28' ' ' TYR . 12.4 t -105.02 116.96 32.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.803 -1.089 . . . . 0.0 110.499 -179.571 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.49 HG23 ' N ' ' A' ' 35' ' ' CYS . 14.0 t -167.37 -138.26 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.419 -179.571 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.49 ' N ' HG23 ' A' ' 34' ' ' THR . 13.6 t -98.17 137.35 37.07 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 121.826 -0.547 . . . . 0.0 111.314 -179.546 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.523 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -136.64 105.21 5.8 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.583 179.848 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.415 ' HB2' ' CG ' ' A' ' 43' ' ' HIS . 1.4 t70 -130.96 114.94 15.85 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.783 -179.914 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.2 t -150.74 14.27 0.74 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.924 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -110.28 -75.5 0.62 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.196 -179.641 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.3 ttm -150.42 -150.92 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.392 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -59.78 -19.67 51.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.712 179.488 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.22 140.63 37.56 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.39 0.614 . . . . 0.0 111.575 179.822 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.691 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 7.2 p-80 -151.2 -176.04 5.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.47 -179.76 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.608 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 90.2 p -154.88 -145.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 121.082 -0.247 . . . . 0.0 110.393 177.352 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.833 ' H ' HG22 ' A' ' 7' ' ' THR . 44.8 t -113.79 171.03 7.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.547 0.213 . . . . 0.0 110.791 179.53 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -150.38 48.17 0.89 Allowed 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -179.635 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.52 ' HB3' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -59.88 -30.25 68.87 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.159 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.453 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -121.29 137.68 54.58 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.234 -1.348 . . . . 0.0 110.118 179.619 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.6 92.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.049 -179.829 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.415 ' N ' ' O ' ' A' ' 48' ' ' LYS . 31.8 p . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.885 -179.563 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.091 0 CA-C-O 120.483 0.183 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.822 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 25.4 p -46.51 114.18 0.77 Allowed 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.377 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.74 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.4 OUTLIER 59.7 147.83 0.01 OUTLIER 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.416 0.627 . . . . 0.0 112.634 179.367 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.411 HH11 ' HB2' ' A' ' 8' ' ' ARG . 0.1 OUTLIER -99.57 33.3 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 177.716 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.17 38.44 4.31 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 110.074 -1.21 . . . . 0.0 110.074 -177.694 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.544 ' HE1' ' HA ' ' A' ' 43' ' ' HIS . 0.2 OUTLIER 65.03 81.44 0.21 Allowed 'General case' 0 CA--C 1.521 -0.14 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -178.154 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.525 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -130.99 41.87 3.3 Favored 'General case' 0 N--CA 1.457 -0.104 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 -177.699 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.839 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 3.3 mptt -132.47 154.86 49.48 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.292 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.456 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -151.82 157.0 41.33 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -178.534 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 95.2 56.22 1.3 Allowed Glycine 0 C--N 1.338 0.676 0 CA-C-N 115.619 -0.718 . . . . 0.0 113.481 179.088 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 14' ' ' GLY . 1.2 mttp 21.93 86.66 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 122.93 0.492 . . . . 0.0 111.835 179.896 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.564 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 51.29 64.35 1.88 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.401 0.619 . . . . 0.0 110.109 -178.655 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.566 ' H ' ' HE1' ' A' ' 43' ' ' HIS . 0.9 OUTLIER -83.08 153.09 25.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.008 -179.425 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.8 m -54.26 -56.93 13.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.874 0.368 . . . . 0.0 110.254 179.356 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -52.19 -20.61 2.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.904 -179.937 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.839 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -80.52 -50.41 10.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.388 179.68 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.712 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 3.4 pt-20 -61.0 -38.94 87.82 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.226 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.58 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -68.87 -41.15 78.79 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.293 179.174 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.506 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -49.8 -40.25 41.09 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.784 0.802 . . . . 0.0 108.953 178.718 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 61.0 m -72.3 -34.86 68.44 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 114.43 -1.259 . . . . 0.0 112.015 -179.832 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.712 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 9.6 mmpt? -73.96 -63.07 1.29 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.81 0.338 . . . . 0.0 111.761 -179.219 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.6 p -55.03 -43.68 73.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.487 -178.932 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.506 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 6.2 mp -86.02 -40.14 16.1 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -178.55 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.502 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.3 OUTLIER -112.36 112.29 51.97 Favored Pre-proline 0 CA--C 1.534 0.344 0 C-N-CA 120.671 -0.412 . . . . 0.0 112.077 -178.202 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -89.01 90.24 0.4 Allowed 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.695 2.263 . . . . 0.0 111.632 178.854 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.693 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 4.1 mmt180 -142.17 -174.28 4.06 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.404 0.621 . . . . 0.0 112.265 -178.916 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -113.27 -35.73 1.58 Allowed Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.046 178.692 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.434 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 0.6 OUTLIER -96.04 14.72 22.82 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.382 0.611 . . . . 0.0 109.65 178.788 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.693 ' HB2' ' HB2' ' A' ' 30' ' ' ARG . 15.4 t -99.66 133.05 44.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.097 179.896 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.52 HG23 ' N ' ' A' ' 35' ' ' CYS . 11.5 t -176.11 -144.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.123 -179.337 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.52 ' N ' HG23 ' A' ' 34' ' ' THR . 0.7 OUTLIER -97.58 135.68 39.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.134 0.493 . . . . 0.0 111.423 -179.323 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.516 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 3.2 t -141.71 123.45 15.18 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.089 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.441 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 19.5 t70 -125.05 155.89 39.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.749 179.901 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.12 -73.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.877 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.03 40.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.669 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.9 mtm -145.83 -179.13 6.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -72.63 -30.79 64.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 -179.86 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.78 140.22 34.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.332 0.587 . . . . 0.0 111.742 -179.769 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.631 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 4.8 p80 -150.58 -177.48 6.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.153 179.839 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.692 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 25.3 p -153.65 -142.97 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.4 178.108 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.74 ' H ' HG22 ' A' ' 7' ' ' THR . 0.1 OUTLIER -99.77 176.68 5.37 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -178.21 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.481 ' HB2' ' CB ' ' A' ' 36' ' ' SER . 4.5 t70 -151.83 25.45 0.65 Allowed 'General case' 0 C--O 1.231 0.109 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.145 179.569 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.471 ' HB3' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -54.26 -24.64 19.59 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.371 0.605 . . . . 0.0 109.976 179.415 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.822 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.3 OUTLIER -133.86 128.97 35.74 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.377 -179.76 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.31 85.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.503 179.807 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 48' ' ' LYS . 6.8 p . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.959 -179.534 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.373 0.13 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.748 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 20.1 p -40.36 111.0 0.17 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.231 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.806 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.8 OUTLIER 62.02 150.16 0.02 OUTLIER 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.239 0.542 . . . . 0.0 111.691 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.641 ' H ' ' HZ3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -99.39 35.2 2.0 Allowed 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.752 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.76 18.48 6.93 Favored Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.969 -178.74 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.417 ' HA ' ' CB ' ' A' ' 44' ' ' SER . 1.1 t80 58.93 78.03 0.28 Allowed 'General case' 0 N--CA 1.457 -0.084 0 CA-C-N 115.668 -0.266 . . . . 0.0 110.336 -179.569 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.48 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -149.09 54.98 0.98 Allowed 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -179.266 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.699 ' HE3' ' HG2' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -112.46 157.47 21.05 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.35 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.411 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -145.7 158.82 43.81 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -178.398 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.533 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 92.27 64.07 1.13 Allowed Glycine 0 C--N 1.337 0.622 0 CA-C-N 115.344 -0.844 . . . . 0.0 112.827 179.739 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.533 ' C ' ' O ' ' A' ' 14' ' ' GLY . 14.1 mtmt 5.51 91.51 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.309 0.644 . . . . 0.0 112.087 -179.561 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.0 t 54.71 68.43 0.86 Allowed 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.532 -178.329 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.663 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.6 OUTLIER -93.34 158.15 15.88 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.213 -178.775 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.578 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 4.6 m -55.84 -71.89 0.08 Allowed 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.123 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.486 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -42.29 -23.72 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.722 -179.924 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.669 ' OE1' ' HB2' ' A' ' 35' ' ' CYS . 2.0 tm-20 -77.38 -64.5 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.266 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.578 ' HG2' ' O ' ' A' ' 18' ' ' THR . 8.7 pt-20 -52.16 -30.82 28.59 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.677 0.751 . . . . 0.0 109.007 178.41 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.37 -42.51 53.88 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.295 179.366 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.699 ' HG2' ' HE3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -45.6 -47.55 14.66 Favored 'General case' 0 CA--C 1.519 -0.235 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 178.57 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.599 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 2.9 m -59.86 -54.57 44.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.641 -1.163 . . . . 0.0 111.027 178.631 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.594 ' HE3' ' HB2' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -65.38 -78.78 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -179.19 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.451 ' OG1' HD12 ' A' ' 27' ' ' LEU . 73.7 p -34.71 -43.41 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -178.848 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.572 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.4 mp -86.01 -33.91 20.93 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.734 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.562 ' OH ' ' HD2' ' A' ' 8' ' ' ARG . 0.3 OUTLIER -121.84 132.39 24.25 Favored Pre-proline 0 CA--C 1.529 0.148 0 C-N-CA 120.418 -0.513 . . . . 0.0 112.001 -177.986 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -86.59 62.85 4.66 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.691 2.261 . . . . 0.0 110.174 177.589 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.856 ' HD2' ' HB3' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -84.23 -170.69 3.22 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -177.537 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -147.35 -27.68 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 114.061 -1.427 . . . . 0.0 111.031 179.204 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -112.68 19.51 17.38 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.084 0.469 . . . . 0.0 110.24 179.28 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.856 ' HB3' ' HD2' ' A' ' 30' ' ' ARG . 7.2 t -105.03 172.05 6.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.958 -179.745 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.624 ' HB ' ' O ' ' A' ' 33' ' ' CYS . 15.1 t 163.67 -142.95 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.346 0 O-C-N 123.892 0.745 . . . . 0.0 110.291 179.323 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.669 ' HB2' ' OE1' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -96.8 125.47 41.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.995 0.426 . . . . 0.0 110.641 -179.899 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.42 111.64 10.92 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.193 -179.701 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.483 ' HA ' ' HB3' ' A' ' 43' ' ' HIS . 0.9 OUTLIER -109.28 164.8 12.14 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.638 179.803 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 m -111.57 -75.45 0.61 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.4 30.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.634 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 9.9 mtp -141.84 178.87 7.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.766 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -71.78 -18.21 62.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.64 142.06 38.18 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.367 0.603 . . . . 0.0 111.411 179.749 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.622 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.9 p-80 -151.25 -170.1 3.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.187 -179.806 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.551 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 87.7 p -153.7 -148.03 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.964 177.983 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.806 ' H ' HG22 ' A' ' 7' ' ' THR . 57.8 m -105.0 178.72 4.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.001 0.429 . . . . 0.0 111.568 -179.49 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -150.44 44.56 0.87 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.848 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.407 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 1.8 m -65.3 -21.8 66.76 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 121.46 0.648 . . . . 0.0 110.524 179.628 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.748 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -135.2 152.68 51.8 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.625 -179.263 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.9 p -75.99 39.44 0.18 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.431 ' H ' ' C ' ' A' ' 48' ' ' LYS . 5.4 p . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.882 179.859 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.649 0.261 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.727 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 16.5 p -50.87 141.93 12.53 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.84 179.776 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.777 ' H ' ' HB2' ' A' ' 45' ' ' CYS . 0.9 OUTLIER 61.0 149.9 0.02 OUTLIER 'General case' 0 C--O 1.231 0.087 0 CA-C-O 121.41 0.624 . . . . 0.0 112.192 179.665 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.784 ' HD2' HD12 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -99.88 32.51 2.88 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 178.466 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.6 18.69 8.8 Favored Glycine 0 N--CA 1.444 -0.806 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.554 -178.093 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.441 ' HA ' ' CB ' ' A' ' 44' ' ' SER . 0.4 OUTLIER 63.85 86.8 0.12 Allowed 'General case' 0 C--O 1.231 0.114 0 CA-C-N 115.383 -0.408 . . . . 0.0 110.458 -179.403 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.43 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -152.9 47.89 0.71 Allowed 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -179.527 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.67 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 1.8 mptt -110.31 154.49 23.41 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 177.758 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.401 ' H ' ' CD ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -149.97 154.99 39.16 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 -177.945 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.505 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 104.78 45.32 1.41 Allowed Glycine 0 C--N 1.336 0.556 0 CA-C-N 115.12 -0.945 . . . . 0.0 113.27 179.28 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.469 ' N ' ' HE1' ' A' ' 43' ' ' HIS . 0.0 OUTLIER 30.17 81.01 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 120.922 0.392 . . . . 0.0 111.173 -179.738 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.453 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 52.99 56.13 7.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.272 -178.623 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.568 ' HB ' ' HG2' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -78.83 153.77 30.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.756 -179.69 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.466 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -52.15 -54.79 26.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.758 179.631 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -51.1 -24.99 4.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.285 -179.718 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.568 ' HG2' ' HB ' ' A' ' 17' ' ' THR . 5.9 mm-40 -80.29 -47.9 13.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.691 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.53 ' HG3' ' N ' ' A' ' 22' ' ' GLU . 2.8 pt-20 -63.42 -35.08 79.23 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.793 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.53 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -66.33 -41.46 89.57 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.131 178.503 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.646 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -51.75 -65.64 0.52 Allowed 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.393 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.55 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 13.4 m -49.55 -28.76 5.94 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.608 -0.723 . . . . 0.0 112.272 179.688 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -73.52 0.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -179.619 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.5 p -59.06 -21.45 59.16 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -179.131 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.784 HD12 ' HD2' ' A' ' 8' ' ' ARG . 4.5 mm? -85.34 -43.32 13.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.777 0.322 . . . . 0.0 111.19 -179.839 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.494 ' CD2' ' HA ' ' A' ' 24' ' ' CYS . 1.5 m-85 -131.53 111.86 15.15 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.307 -178.246 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -80.92 59.93 7.67 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.52 2.147 . . . . 0.0 111.636 179.384 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.488 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -101.8 166.19 10.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.99 -178.945 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -95.85 -13.29 50.64 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 178.261 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -119.75 16.86 12.74 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.031 0.443 . . . . 0.0 110.277 179.404 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 33.7 t -99.69 131.76 45.48 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.335 179.724 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.515 HG23 ' N ' ' A' ' 35' ' ' CYS . 6.6 t -172.84 -150.89 0.05 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.977 -179.177 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.515 ' N ' HG23 ' A' ' 34' ' ' THR . 0.6 OUTLIER -97.19 125.59 41.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.074 0.464 . . . . 0.0 111.158 -179.449 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.431 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 14.3 t -126.81 130.76 50.88 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.744 179.83 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -147.27 165.1 31.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.685 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.7 t -109.19 -70.46 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.646 179.83 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -169.63 49.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.544 179.848 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.3 mtt -141.0 -176.44 4.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -82.18 -25.18 34.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.042 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.34 143.18 34.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.504 0.669 . . . . 0.0 111.97 -179.769 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.67 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 2.8 p-80 -150.97 -174.22 4.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.849 -1.069 . . . . 0.0 108.673 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.565 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 78.8 p -154.16 -137.39 0.07 Allowed 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.216 177.516 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.777 ' HB2' ' H ' ' A' ' 7' ' ' THR . 59.6 m -110.42 173.5 6.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.139 0.495 . . . . 0.0 112.031 -178.932 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -150.59 37.24 0.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.584 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -57.33 -23.35 48.25 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.724 179.829 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.727 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -142.34 164.38 30.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.249 -179.451 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.9 p -78.65 48.14 0.78 Allowed 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 114.53 -1.214 . . . . 0.0 110.996 -179.783 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.846 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.465 ' HB3' ' HE ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.806 0.336 . . . . 0.0 111.116 . . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.534 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 1.3 p -51.77 124.61 12.88 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.936 179.767 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.92 ' HB ' ' H ' ' A' ' 45' ' ' CYS . 10.4 t 45.96 164.97 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 179.795 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.3 mtp85 -99.6 47.34 0.95 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.382 179.356 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.32 38.55 7.16 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 -178.438 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.555 ' HA ' ' CB ' ' A' ' 44' ' ' SER . 11.5 t80 65.35 94.72 0.06 Allowed 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.3 -0.45 . . . . 0.0 109.914 -179.145 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.516 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -148.24 51.75 1.02 Allowed 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -178.23 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.819 ' HD3' ' HA ' ' A' ' 44' ' ' SER . 0.0 OUTLIER -134.75 151.79 51.25 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.875 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.487 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.3 OUTLIER -151.01 154.6 37.37 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -178.449 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 100.27 53.29 1.09 Allowed Glycine 0 C--N 1.34 0.79 0 CA-C-N 115.85 -0.613 . . . . 0.0 113.626 179.168 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER 25.66 81.94 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.024 0.44 . . . . 0.0 111.775 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.59 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.6 OUTLIER 52.98 52.74 13.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.436 0.636 . . . . 0.0 109.943 -178.771 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.562 ' H ' ' HE1' ' A' ' 43' ' ' HIS . 0.8 OUTLIER -73.46 158.6 34.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.05 -179.549 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.537 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.3 m -53.71 -53.6 49.78 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.217 179.266 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.451 ' HA ' HD22 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -50.64 -23.24 2.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.099 179.925 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.686 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -79.35 -52.43 8.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.198 179.461 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 18' ' ' THR . 13.4 pt-20 -63.18 -24.06 67.71 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.64 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.13 -44.54 21.81 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.776 179.001 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.644 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -46.15 -43.6 15.17 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 121.551 0.691 . . . . 0.0 109.262 178.328 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.558 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 66.4 m -71.53 -45.04 63.47 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.669 -1.15 . . . . 0.0 112.878 -179.464 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.507 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -70.1 -60.24 2.41 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -178.323 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.8 p -61.59 -46.05 91.52 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -178.702 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.644 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 6.2 mp -86.07 -37.27 19.03 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -178.238 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.558 ' CD2' ' HA ' ' A' ' 24' ' ' CYS . 0.2 OUTLIER -115.74 78.78 7.2 Favored Pre-proline 0 CA--C 1.531 0.233 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.897 -177.733 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -58.29 90.58 0.06 OUTLIER 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.101 1.867 . . . . 0.0 111.727 179.273 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.93 -174.54 3.81 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 121.492 0.663 . . . . 0.0 112.336 -178.912 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -115.79 -34.49 1.39 Allowed Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 114.881 -1.054 . . . . 0.0 111.189 178.818 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -100.02 14.81 29.34 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.365 0.602 . . . . 0.0 109.871 178.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.603 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 32.2 t -99.65 128.45 45.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.718 179.765 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.451 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 6.4 t -166.12 -154.73 0.2 Allowed 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.805 -178.942 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.547 ' HB2' ' HG3' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -96.21 135.35 38.14 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.344 0.592 . . . . 0.0 112.11 -178.287 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.2 t -146.42 123.81 11.65 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.539 179.78 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.24 154.5 20.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.163 -179.515 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.4 t -150.08 -37.41 0.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.606 179.845 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.508 ' HB3' ' H ' ' A' ' 40' ' ' MET . 5.3 mmtp -82.81 -133.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.722 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.508 ' H ' ' HB3' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -99.73 -104.79 0.22 Allowed 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 120.651 0.263 . . . . 0.0 110.653 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -82.4 -15.6 52.11 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.906 0.384 . . . . 0.0 110.421 179.557 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.49 ' HB ' ' CZ ' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -99.86 141.53 32.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.292 0.568 . . . . 0.0 111.092 179.626 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.59 ' CE1' ' H ' ' A' ' 16' ' ' CYS . 2.8 p80 -149.57 -176.33 5.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.192 -179.631 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.819 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 30.0 p -153.3 -158.98 0.93 Allowed 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.182 -0.607 . . . . 0.0 111.286 178.458 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.92 ' H ' ' HB ' ' A' ' 7' ' ' THR . 0.9 OUTLIER -99.66 167.31 10.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.146 0.498 . . . . 0.0 112.083 -178.638 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -150.43 41.47 0.8 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.961 179.697 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.603 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -54.56 -25.63 27.22 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.395 0.617 . . . . 0.0 109.965 179.353 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.534 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.9 OUTLIER -128.55 133.32 48.36 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.363 179.894 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.43 91.84 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.071 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 20.0 p . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.853 -179.734 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.4 ' HD2' HH11 ' A' ' 5' ' ' ARG . 38.0 ttm105 . . . . . 0 C--O 1.233 0.198 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.681 ' HA ' ' HB2' ' A' ' 47' ' ' CYS . 2.2 p -46.84 146.16 1.72 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.581 179.139 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.782 HG22 ' H ' ' A' ' 45' ' ' CYS . 1.0 OUTLIER 61.43 141.34 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.213 0.53 . . . . 0.0 111.816 179.935 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 1.033 ' HD3' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.37 45.78 0.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 179.042 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.11 11.75 15.36 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.187 -178.824 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.3 t80 57.76 79.91 0.19 Allowed 'General case' 0 C--O 1.232 0.151 0 N-CA-C 110.503 -0.184 . . . . 0.0 110.503 -179.885 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.82 55.4 0.84 Allowed 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -179.339 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.809 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 5.2 mptt -105.4 155.43 19.13 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.179 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.405 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -145.38 148.64 33.58 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.32 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 102.8 44.8 1.73 Allowed Glycine 0 C--N 1.338 0.64 0 CA-C-N 115.515 -0.766 . . . . 0.0 113.481 179.123 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.484 ' HE2' ' OD2' ' A' ' 37' ' ' ASP . 0.6 OUTLIER 30.64 87.14 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 122.777 0.431 . . . . 0.0 111.589 -179.629 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.557 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 49.56 48.74 21.02 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-O 121.582 0.706 . . . . 0.0 109.573 -178.564 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.537 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.6 OUTLIER -70.1 160.01 32.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.519 -179.092 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.577 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -55.73 -53.53 55.47 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.358 179.23 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -52.36 -25.88 10.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 -179.918 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.809 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -79.71 -46.97 16.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.526 179.68 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.678 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 7.5 pt-20 -64.58 -30.71 71.74 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 178.606 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.6 -45.08 69.41 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.894 -1.048 . . . . 0.0 109.421 178.58 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.709 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -50.32 -36.68 32.95 Favored 'General case' 0 C--O 1.219 -0.508 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.14 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.543 ' SG ' ' O ' ' A' ' 34' ' ' THR . 90.0 m -68.97 -37.86 79.04 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.123 -0.944 . . . . 0.0 112.305 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.678 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -81.63 -64.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 -179.107 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.1 p -51.86 -36.55 48.81 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -179.331 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.033 HD12 ' HD3' ' A' ' 8' ' ' ARG . 0.7 OUTLIER -82.83 -40.7 20.0 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.657 0.265 . . . . 0.0 111.526 -179.284 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.7 ' OH ' ' HD2' ' A' ' 8' ' ' ARG . 1.3 m-85 -129.51 134.24 26.01 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.785 -177.039 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -91.09 24.26 0.58 Allowed 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 122.921 2.414 . . . . 0.0 111.76 179.036 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.618 ' CB ' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -66.16 157.93 30.02 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -178.766 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -99.28 -19.42 21.07 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 109.396 -1.482 . . . . 0.0 109.396 177.05 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -102.85 19.08 20.01 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 114.634 -0.783 . . . . 0.0 109.507 178.77 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.618 ' HB2' ' CB ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -98.65 143.54 28.92 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.714 179.888 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.543 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 1.3 t -177.83 -169.13 0.2 Allowed 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.191 -179.115 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.444 ' N ' HG23 ' A' ' 34' ' ' THR . 1.4 p -96.04 133.17 40.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.119 0.485 . . . . 0.0 111.715 -178.682 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.558 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -139.46 127.38 22.18 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.333 -179.517 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.484 ' OD2' ' HE2' ' A' ' 15' ' ' LYS . 22.3 t70 -128.88 139.73 52.01 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.435 179.537 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.9 t -150.15 15.27 0.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.233 -179.762 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.419 ' HB3' ' H ' ' A' ' 40' ' ' MET . 0.0 OUTLIER -115.18 -100.87 0.43 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.372 -179.674 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.419 ' H ' ' HB3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -132.28 -86.22 0.47 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.917 0.389 . . . . 0.0 110.14 -179.871 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -110.42 -20.94 12.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.771 178.938 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -99.84 138.62 36.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.431 0.634 . . . . 0.0 111.072 179.634 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.603 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.6 p80 -150.98 -166.62 2.59 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.95 -1.023 . . . . 0.0 108.981 -179.218 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.566 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 88.6 p -154.18 -151.49 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.422 -0.511 . . . . 0.0 111.01 177.213 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.782 ' H ' HG22 ' A' ' 7' ' ' THR . 3.8 t -99.19 174.57 6.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.366 0.603 . . . . 0.0 112.176 -179.046 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.447 ' HB2' ' HB2' ' A' ' 36' ' ' SER . 12.4 t70 -142.54 37.95 1.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.692 179.316 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.681 ' HB2' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -49.59 -27.33 4.38 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.163 179.385 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.642 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -126.1 -177.0 3.8 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.706 -179.6 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.629 ' H ' ' HE3' ' A' ' 48' ' ' LYS . 0.5 OUTLIER -80.42 49.29 1.13 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.834 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.852 -179.955 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.131 0 CA-C-O 121.038 0.446 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.623 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 7.2 p -50.48 145.43 6.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.919 -179.928 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.467 HG23 ' SG ' ' A' ' 6' ' ' CYS . 1.1 p 59.36 143.02 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 178.829 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.98 ' HD3' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.75 31.12 3.35 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 177.997 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.63 12.34 4.62 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 114.464 -1.244 . . . . 0.0 110.912 -178.529 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.2 t80 59.71 84.6 0.11 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.554 -0.323 . . . . 0.0 110.672 -179.737 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.02 60.34 0.47 Allowed 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -179.567 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.7 ' HE2' ' H ' ' A' ' 45' ' ' CYS . 0.4 OUTLIER -113.21 154.83 26.09 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 178.206 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.46 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -150.45 153.61 36.23 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -178.312 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.435 ' HA3' ' OG1' ' A' ' 17' ' ' THR . . . 104.02 44.46 1.62 Allowed Glycine 0 C--N 1.338 0.65 0 CA-C-N 115.419 -0.81 . . . . 0.0 113.624 178.948 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER 30.59 84.49 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 122.502 0.321 . . . . 0.0 111.443 179.923 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.503 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 3.6 t 53.51 49.07 20.34 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.374 0.607 . . . . 0.0 109.727 -178.698 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.511 ' H ' ' HE1' ' A' ' 43' ' ' HIS . 0.7 OUTLIER -71.79 155.69 40.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.366 -179.217 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.584 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -53.39 -52.93 57.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.403 179.458 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.423 ' HA ' HD22 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -51.4 -29.2 14.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.737 -179.898 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.65 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -73.18 -49.78 26.19 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.432 179.772 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.616 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 4.9 pt-20 -65.7 -29.06 69.54 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.815 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.01 -36.88 72.61 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.066 178.518 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.657 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -55.21 -64.51 0.82 Allowed 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.454 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.683 ' SG ' ' HB3' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -49.83 -33.84 18.0 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.421 179.788 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.492 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -75.07 -83.63 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -178.878 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.5 p -47.29 -28.92 2.16 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.782 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.98 HD12 ' HD3' ' A' ' 8' ' ' ARG . 2.0 mm? -81.01 -38.1 28.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 111.058 -179.837 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.67 ' OH ' ' HD2' ' A' ' 8' ' ' ARG . 1.3 m-85 -135.2 117.1 12.37 Favored Pre-proline 0 N--CA 1.454 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.221 -177.791 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.523 ' O ' ' HD2' ' A' ' 30' ' ' ARG . 4.3 Cg_exo -78.18 85.48 1.81 Allowed 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.679 2.253 . . . . 0.0 111.842 179.533 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.552 ' HG3' ' SG ' ' A' ' 33' ' ' CYS . 18.4 mmm180 -132.3 -165.86 1.65 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.415 0.626 . . . . 0.0 112.001 -179.387 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -128.47 -26.92 0.93 Allowed Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 114.935 -1.03 . . . . 0.0 111.374 179.021 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -99.98 9.91 42.15 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.353 0.597 . . . . 0.0 110.241 179.231 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.683 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 84.4 m -101.9 136.85 41.03 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.099 179.678 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.511 HG23 ' N ' ' A' ' 35' ' ' CYS . 12.8 t -175.34 -132.68 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.749 -179.54 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.511 ' N ' HG23 ' A' ' 34' ' ' THR . 0.0 OUTLIER -98.99 140.56 32.96 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-O 121.056 0.455 . . . . 0.0 111.719 -179.147 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.468 ' CB ' ' HB2' ' A' ' 46' ' ' ASP . 6.3 t -141.6 105.36 4.72 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.428 179.401 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -110.6 154.2 24.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.85 -179.73 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.23 -75.97 0.58 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.933 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.0 tptm -169.31 30.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.597 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -141.75 176.53 8.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.955 -179.815 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -65.53 -31.32 72.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.169 -179.906 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.76 142.33 31.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.492 0.663 . . . . 0.0 111.388 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.599 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.3 p80 -150.68 -168.07 3.0 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.985 -1.007 . . . . 0.0 108.906 -179.835 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.61 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 45.4 p -152.68 -174.28 4.86 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.818 177.731 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.7 ' H ' ' HE2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -99.84 127.73 45.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.437 -179.174 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.612 ' HA ' ' HB2' ' A' ' 6' ' ' CYS . 6.6 t70 -99.49 61.33 1.18 Allowed 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.262 0.554 . . . . 0.0 110.379 179.5 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.459 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 2.0 t -49.93 -31.41 12.31 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.235 179.236 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.623 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -145.48 134.55 22.69 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.323 -1.308 . . . . 0.0 110.445 -179.735 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.29 94.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.345 -179.889 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.919 -179.805 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.436 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 1.8 ptm180 . . . . . 0 CA--C 1.529 0.156 0 N-CA-C 111.38 0.141 . . . . 0.0 111.38 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.726 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 30.4 p -41.01 112.73 0.32 Allowed 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.681 ' HA ' ' HH ' ' A' ' 28' ' ' TYR . 1.6 p 57.14 135.13 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.286 0.565 . . . . 0.0 112.324 179.472 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.758 ' HD2' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.89 29.81 4.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.615 0.722 . . . . 0.0 109.157 178.889 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 135.45 7.51 1.9 Allowed Glycine 0 N--CA 1.446 -0.684 0 CA-C-N 114.613 -1.176 . . . . 0.0 111.136 -179.136 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.4 t80 57.47 86.04 0.08 Allowed 'General case' 0 C--O 1.231 0.112 0 CA-C-N 115.785 -0.208 . . . . 0.0 110.584 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.482 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -157.56 57.76 0.5 Allowed 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -179.632 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.667 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -110.16 159.01 17.74 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 177.55 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.409 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -150.6 158.47 44.19 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 -178.303 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.469 ' HA3' ' OG1' ' A' ' 17' ' ' THR . . . 101.82 49.91 1.22 Allowed Glycine 0 C--N 1.34 0.769 0 CA-C-N 115.189 -0.914 . . . . 0.0 113.622 179.043 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 14' ' ' GLY . 10.9 mttt 23.29 83.8 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 122.828 0.451 . . . . 0.0 111.539 -179.914 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.624 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 23.1 t 54.85 55.19 8.09 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.306 0.574 . . . . 0.0 109.89 -178.408 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.624 ' H ' ' HE1' ' A' ' 43' ' ' HIS . 0.9 OUTLIER -77.13 151.54 35.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.028 -179.351 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.575 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -55.19 -52.91 61.84 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.088 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.475 ' HA ' HD22 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -53.02 -22.39 5.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.832 179.795 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.667 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -79.85 -49.45 11.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.254 179.51 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.658 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 5.4 pt-20 -63.7 -27.99 69.59 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 178.526 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.06 -34.17 43.96 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 114.684 -1.144 . . . . 0.0 110.356 179.313 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.739 ' HD2' ' HE ' ' A' ' 8' ' ' ARG . 2.4 ttpt -60.46 -35.39 75.76 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.238 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.566 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 2.6 m -78.24 -37.68 44.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.103 -179.587 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.545 ' HE3' ' O ' ' A' ' 33' ' ' CYS . 0.6 OUTLIER -77.03 -31.87 56.62 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.104 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.464 ' OG1' HD23 ' A' ' 27' ' ' LEU . 68.4 p -85.46 -37.6 19.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.674 -179.6 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.758 HD12 ' HD2' ' A' ' 8' ' ' ARG . 0.1 OUTLIER -85.19 -43.51 13.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.152 0.501 . . . . 0.0 110.41 -179.899 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.681 ' HH ' ' HA ' ' A' ' 7' ' ' THR . 0.2 OUTLIER -110.1 161.57 23.88 Favored Pre-proline 0 C--N 1.333 -0.143 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.561 -177.915 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -74.81 -67.35 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 122.104 1.869 . . . . 0.0 113.235 -179.754 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.556 ' O ' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -178.73 -135.96 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.935 0.398 . . . . 0.0 111.47 -178.548 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 47' ' ' CYS . . . 69.6 76.79 0.47 Allowed Glycine 0 C--N 1.336 0.579 0 N-CA-C 111.612 -0.595 . . . . 0.0 111.612 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 58.4 24.7 12.02 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -178.597 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.566 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 7.6 t -98.98 125.45 44.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.591 -179.411 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.469 HG23 ' N ' ' A' ' 35' ' ' CYS . 9.9 t 177.35 -131.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.17 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.478 ' HA ' ' OE2' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -98.05 129.25 44.9 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.955 -0.465 . . . . 0.0 110.77 179.959 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.501 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.1 OUTLIER -144.71 120.0 10.22 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.024 -179.717 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.514 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 24.9 t0 -135.05 155.51 50.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.629 179.919 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.6 t -99.92 -68.78 0.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.798 179.763 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.6 46.87 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.671 179.838 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.4 mtp -149.96 161.8 41.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.923 -179.825 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -59.52 -30.73 68.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.48 139.45 35.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.312 0.577 . . . . 0.0 111.399 179.863 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.647 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 4.1 p80 -151.04 -173.04 4.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.466 -179.732 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.534 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 91.6 p -154.09 -148.79 0.26 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 177.524 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.581 ' H ' HG22 ' A' ' 7' ' ' THR . 2.4 m -108.46 174.44 5.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.745 0.307 . . . . 0.0 111.411 -179.873 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -142.59 39.3 1.53 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.287 -179.8 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.67 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -57.9 -22.05 46.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.6 0.714 . . . . 0.0 110.508 179.223 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.726 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -146.44 142.53 28.23 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.661 -179.288 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.45 87.23 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.848 -179.91 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 27.5 p . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.806 -179.756 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.499 ' HD3' ' HD3' ' A' ' 29' ' ' PRO . 6.1 ptm180 . . . . . 0 C--O 1.233 0.214 0 CA-C-O 120.544 0.211 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.692 ' HA ' ' SG ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -44.0 135.31 4.26 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.71 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.559 HG23 ' SG ' ' A' ' 6' ' ' CYS . 12.0 p 56.31 130.04 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 178.944 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.754 ' HD3' HD12 ' A' ' 27' ' ' LEU . 11.1 ttt-85 -101.15 31.26 3.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.293 -0.867 . . . . 0.0 108.67 178.258 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.2 5.99 4.98 Favored Glycine 0 N--CA 1.444 -0.778 0 CA-C-N 114.439 -1.255 . . . . 0.0 110.428 -178.29 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.499 ' CZ ' HG21 ' A' ' 7' ' ' THR . 2.7 m-85 61.52 76.19 0.38 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.298 -0.451 . . . . 0.0 110.86 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.585 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -156.39 76.71 0.91 Allowed 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 -179.636 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.809 ' HG3' ' HE2' ' A' ' 23' ' ' LYS . 9.1 mptt -124.79 146.99 48.95 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 177.648 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.433 ' H ' ' CD ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -145.3 156.08 43.59 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -177.744 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.468 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 105.9 37.21 2.59 Favored Glycine 0 C--N 1.337 0.625 0 CA-C-N 115.295 -0.866 . . . . 0.0 113.137 179.468 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.517 ' N ' ' CE1' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 35.84 85.6 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.85 0.357 . . . . 0.0 111.243 -179.421 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.415 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 50.53 51.97 15.78 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.438 0.637 . . . . 0.0 109.927 -178.61 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.577 ' HB ' ' HG2' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -77.12 154.98 32.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.098 -0.956 . . . . 0.0 111.014 -179.543 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.593 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 2.9 m -53.23 -56.61 15.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.824 179.538 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -49.73 -26.09 3.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.048 -179.83 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.636 ' HB3' ' HB3' ' A' ' 12' ' ' LYS . 5.0 mm-40 -81.86 -49.26 10.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.455 179.815 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.593 ' HG2' ' HA ' ' A' ' 18' ' ' THR . 5.4 pt-20 -60.42 -24.98 65.6 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.08 -1.082 . . . . 0.0 108.08 178.128 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.16 -53.88 9.88 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 114.613 -1.176 . . . . 0.0 109.048 178.291 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.809 ' HE2' ' HG3' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -42.61 -37.89 1.83 Allowed 'General case' 0 C--O 1.224 -0.27 0 CA-C-O 121.204 0.526 . . . . 0.0 110.177 178.573 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.594 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 2.8 m -72.34 -43.88 63.44 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -179.455 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.437 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -80.4 -50.85 9.55 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -178.485 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 p -69.25 -39.04 78.7 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.944 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.754 HD12 ' HD3' ' A' ' 8' ' ' ARG . 0.1 OUTLIER -85.59 -42.65 14.17 Favored 'General case' 0 C--O 1.231 0.1 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.746 -179.268 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.594 ' CD2' ' HA ' ' A' ' 24' ' ' CYS . 0.2 OUTLIER -110.53 158.55 35.14 Favored Pre-proline 0 N--CA 1.461 0.113 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.418 -178.002 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.499 ' HD3' ' HD3' ' A' ' 5' ' ' ARG . 44.2 Cg_endo -71.15 -70.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.099 1.866 . . . . 0.0 112.791 179.809 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.483 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -179.29 -136.86 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.866 0.365 . . . . 0.0 111.377 -178.965 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 47' ' ' CYS . . . 72.24 79.34 0.45 Allowed Glycine 0 C--N 1.337 0.594 0 N-CA-C 111.516 -0.634 . . . . 0.0 111.516 -179.914 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 57.53 24.18 10.04 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 -178.572 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.503 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 8.7 t -98.71 126.29 44.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.825 -179.286 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.41 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 14.6 t -179.27 -150.5 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.113 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.403 ' N ' HG23 ' A' ' 34' ' ' THR . 0.7 OUTLIER -97.81 123.01 41.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.137 0.494 . . . . 0.0 110.907 -179.656 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.564 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 22.8 t -142.95 130.68 21.44 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.372 -179.237 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -127.14 144.29 51.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.318 179.64 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.03 3.92 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.253 -179.664 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.52 -82.3 0.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.346 -179.704 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.0 -148.67 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.438 -179.619 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -51.73 -19.96 1.88 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.163 179.839 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.8 140.2 34.35 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.4 0.619 . . . . 0.0 111.5 179.895 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.692 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 6.7 p-80 -151.12 -173.59 4.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.801 -179.642 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.613 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 88.0 p -154.88 -153.96 0.48 Allowed 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.07 -0.252 . . . . 0.0 110.622 177.852 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.456 ' SG ' ' HE2' ' A' ' 12' ' ' LYS . 3.0 m -116.13 146.21 42.44 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.52 179.438 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -115.63 48.11 1.25 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.844 0.354 . . . . 0.0 111.487 -179.393 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.692 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -63.07 -22.82 67.12 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-O 121.743 0.782 . . . . 0.0 110.274 179.148 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.402 ' H ' ' CB ' ' A' ' 6' ' ' CYS . 3.0 tmtt? -150.6 151.91 33.28 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.03 -179.093 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 t -68.06 76.77 0.23 Allowed 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.661 179.59 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.138 -0.934 . . . . 0.0 110.964 -179.803 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 . . . . . 0 N--CA 1.463 0.2 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.79 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 7.5 p -62.8 134.93 57.0 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.966 179.325 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.5 p 57.33 139.88 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 178.368 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.778 ' HD2' ' HB3' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -104.88 25.12 10.85 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.844 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 141.58 -1.17 1.79 Allowed Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 114.203 -1.362 . . . . 0.0 110.694 -178.495 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.413 ' HA ' ' HZ2' ' A' ' 12' ' ' LYS . 2.0 t80 57.52 84.43 0.1 Allowed 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.475 -0.362 . . . . 0.0 111.054 179.947 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.848 ' HD3' ' HE2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -166.55 57.5 0.09 Allowed 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 179.875 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.691 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 3.8 mptt -99.77 155.52 17.59 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 177.672 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.405 ' H ' ' CD ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -150.31 156.63 41.89 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -177.839 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.475 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 110.89 37.09 1.75 Allowed Glycine 0 C--N 1.337 0.636 0 CA-C-N 115.51 -0.768 . . . . 0.0 113.176 179.25 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.476 ' N ' ' HE1' ' A' ' 43' ' ' HIS . 0.0 OUTLIER 32.35 82.04 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.803 0.335 . . . . 0.0 111.155 -179.564 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.405 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 1.9 t 56.31 53.43 8.82 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.26 0.552 . . . . 0.0 110.13 -178.712 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.581 ' HB ' ' HG2' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -83.22 151.49 25.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.672 -179.761 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.628 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 2.7 m -51.69 -57.67 8.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.758 179.648 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.32 -26.33 1.23 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.406 -179.789 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.581 ' HG2' ' HB ' ' A' ' 17' ' ' THR . 4.1 mm-40 -81.32 -51.99 7.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.658 179.82 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.628 ' HG2' ' O ' ' A' ' 18' ' ' THR . 9.8 pt-20 -57.86 -27.07 62.91 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 178.03 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.61 -54.3 10.87 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 114.426 -1.261 . . . . 0.0 109.295 178.5 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.848 ' HE2' ' HD3' ' A' ' 11' ' ' ARG . 26.7 tttp -42.68 -34.5 0.91 Allowed 'General case' 0 CA--C 1.522 -0.101 0 CA-C-O 121.607 0.717 . . . . 0.0 109.595 178.444 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.635 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 3.9 m -67.95 -54.29 19.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.961 179.77 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.464 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -75.83 -56.11 4.98 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.907 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.8 p -56.76 -48.6 77.49 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -179.064 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.778 ' HB3' ' HD2' ' A' ' 8' ' ' ARG . 0.7 OUTLIER -85.9 -40.89 15.45 Favored 'General case' 0 C--O 1.231 0.104 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -178.677 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.635 ' CD2' ' HA ' ' A' ' 24' ' ' CYS . 0.3 OUTLIER -109.83 156.24 40.18 Favored Pre-proline 0 C--N 1.333 -0.134 0 CA-C-O 120.925 0.393 . . . . 0.0 111.73 -176.855 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.78 -74.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.762 2.308 . . . . 0.0 112.755 179.877 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.555 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -178.17 -135.15 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 121.06 0.457 . . . . 0.0 112.221 -178.763 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.72 69.11 1.46 Allowed Glycine 0 C--N 1.334 0.455 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -179.348 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 62.82 29.19 16.65 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 -177.934 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.555 ' HB3' ' HA ' ' A' ' 30' ' ' ARG . 18.6 t -97.71 117.41 31.95 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.25 -179.433 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.489 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 13.5 t -177.43 -140.46 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.714 -179.667 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.462 ' N ' HG23 ' A' ' 34' ' ' THR . 0.0 OUTLIER -96.25 122.92 39.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 121.695 -0.628 . . . . 0.0 111.257 -179.584 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.4 t -137.67 119.16 14.84 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.139 179.822 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.444 ' CG ' ' HB3' ' A' ' 43' ' ' HIS . 7.5 t0 -129.85 138.77 51.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.973 -179.587 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.43 0.79 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.804 179.878 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -108.87 -85.05 0.54 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.221 -179.77 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.0 ttm -143.84 -145.77 0.18 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.697 -179.757 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -58.11 -15.13 8.41 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.428 -179.827 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.52 141.57 32.14 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.311 0.577 . . . . 0.0 111.266 179.73 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.691 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.3 p-80 -150.8 -176.53 5.56 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.378 -179.712 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.454 ' HB2' ' NZ ' ' A' ' 12' ' ' LYS . 59.5 p -153.79 -154.14 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 177.894 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 2.8 m -123.75 132.94 53.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.665 0.269 . . . . 0.0 110.765 179.885 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -99.98 56.14 0.95 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.073 0.463 . . . . 0.0 111.2 -179.67 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.772 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 0.8 OUTLIER -62.06 -17.75 58.5 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.172 179.788 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.79 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 1.8 mttt -147.64 159.24 43.99 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.681 -179.238 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.8 74.83 0.61 Allowed 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.661 179.843 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.9 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.6 m120 . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.694 0.283 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.67 166.49 0.12 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.447 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.758 ' HA ' ' HD2' ' A' ' 48' ' ' LYS . 2.1 mmt 57.16 88.6 0.05 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.224 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.71 ' HD2' ' HB2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -101.33 -88.5 0.37 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.747 179.707 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.7 mtm105 -175.69 32.17 0.0 OUTLIER 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.195 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.807 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 25.1 p -45.93 115.71 1.04 Allowed 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.642 0.258 . . . . 0.0 111.173 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.828 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.6 OUTLIER 58.19 161.13 0.03 OUTLIER 'General case' 0 C--O 1.231 0.104 0 CA-C-O 121.334 0.588 . . . . 0.0 111.976 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.57 ' H ' ' NZ ' ' A' ' 12' ' ' LYS . 7.8 mtp85 -107.62 30.65 6.09 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.33 18.77 5.29 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.165 -178.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 62.29 90.61 0.07 Allowed 'General case' 0 C--O 1.231 0.107 0 CA-C-N 115.679 -0.261 . . . . 0.0 110.529 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.497 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -159.85 53.78 0.36 Allowed 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -179.674 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.839 ' HE3' ' HG2' ' A' ' 23' ' ' LYS . 8.7 mptt -114.4 158.43 21.54 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.442 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.413 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -150.24 156.1 40.94 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -178.465 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 100.53 49.68 1.38 Allowed Glycine 0 C--N 1.338 0.674 0 CA-C-N 115.22 -0.9 . . . . 0.0 113.583 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 14' ' ' GLY . 0.9 OUTLIER 29.19 82.94 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.497 0.319 . . . . 0.0 111.475 -179.889 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.611 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 49.55 51.15 16.97 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.428 0.632 . . . . 0.0 109.921 -178.738 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.546 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -67.63 154.67 40.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.185 -179.474 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.555 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.1 m -54.6 -51.83 64.1 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.14 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.468 ' HA ' HD22 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -54.7 -25.47 27.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.39 179.759 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.697 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -78.3 -45.89 21.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.225 179.454 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.593 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 2.4 pt-20 -67.84 -25.84 65.75 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 178.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.96 -36.16 49.47 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.603 178.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.839 ' HG2' ' HE3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -56.77 -48.0 78.85 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.678 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.702 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 3.9 m -69.23 -33.78 73.81 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.096 -0.956 . . . . 0.0 112.307 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.503 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -80.3 -69.15 0.61 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -178.864 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.57 ' OG1' HD12 ' A' ' 27' ' ' LEU . 23.4 p -50.68 -40.7 54.44 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -179.076 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.639 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.6 mp -85.56 -38.94 17.93 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 120.591 -0.443 . . . . 0.0 112.014 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.51 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -113.05 112.16 50.17 Favored Pre-proline 0 CA--C 1.53 0.199 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.431 -178.591 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -82.5 67.43 7.97 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.554 2.169 . . . . 0.0 111.49 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.699 ' HD3' ' H ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -108.93 169.69 8.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.339 0.59 . . . . 0.0 112.09 -178.88 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.699 ' H ' ' HD3' ' A' ' 30' ' ' ARG . . . -108.17 -19.57 8.89 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.944 178.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -112.36 15.55 20.27 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.222 0.534 . . . . 0.0 110.167 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.702 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 12.0 t -99.75 150.79 21.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.402 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.494 HG23 ' N ' ' A' ' 35' ' ' CYS . 6.9 t 177.76 -152.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.985 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.494 ' N ' HG23 ' A' ' 34' ' ' THR . 0.8 OUTLIER -98.01 129.39 44.88 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-O 120.987 0.422 . . . . 0.0 110.658 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.592 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 3.1 p -136.57 125.49 24.21 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.299 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.449 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 26.0 t70 -135.04 159.3 41.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.454 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.89 -74.57 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.712 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -168.96 43.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.687 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 34.9 mtt -139.77 -168.83 2.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.86 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -88.04 -18.29 29.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.953 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -115.08 141.35 48.12 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.434 0.635 . . . . 0.0 111.672 179.881 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.621 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.4 p80 -151.51 -171.28 3.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.274 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.526 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 93.2 p -154.32 -151.23 0.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.979 177.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.828 ' H ' HG22 ' A' ' 7' ' ' THR . 22.0 m -100.08 175.53 5.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.889 0.376 . . . . 0.0 111.757 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -150.69 36.58 0.64 Allowed 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.607 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.592 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -59.85 -24.04 63.89 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 121.302 0.572 . . . . 0.0 110.036 179.193 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.807 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.2 OUTLIER -139.46 129.48 25.03 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.522 -179.611 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.8 t -51.05 90.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.666 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.408 ' N ' ' O ' ' A' ' 48' ' ' LYS . 20.7 p . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.858 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.789 0.328 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.29 -36.87 5.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.3 148.94 24.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.973 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.47 ' HD2' ' HG3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -117.42 -166.66 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.615 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -144.35 81.96 1.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.828 0.347 . . . . 0.0 111.174 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.762 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 5.4 p -49.58 132.06 21.24 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.949 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.723 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.2 OUTLIER 58.7 157.25 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.287 0.565 . . . . 0.0 112.227 179.477 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.406 ' H ' ' NZ ' ' A' ' 12' ' ' LYS . 0.7 OUTLIER -100.25 32.55 2.96 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.524 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.32 20.62 6.95 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.021 -178.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.435 ' HD1' ' OG ' ' A' ' 44' ' ' SER . 70.1 t80 63.44 91.69 0.07 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.609 -0.295 . . . . 0.0 110.687 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -161.58 50.6 0.23 Allowed 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.731 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -113.0 157.35 21.63 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 178.088 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.425 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -150.02 155.72 40.41 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -178.188 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 103.1 46.22 1.49 Allowed Glycine 0 C--N 1.338 0.677 0 CA-C-N 115.231 -0.895 . . . . 0.0 113.442 179.368 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER 31.23 83.14 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.511 0.324 . . . . 0.0 111.168 -179.662 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.633 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 49.42 50.91 17.34 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 121.514 0.673 . . . . 0.0 109.517 -178.479 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.603 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -69.07 156.8 38.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.378 -179.092 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.518 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.1 m -55.25 -53.32 57.59 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.128 179.239 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.452 ' HA ' HD22 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -53.21 -25.99 16.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.608 179.837 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.731 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -79.27 -46.38 17.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.516 179.698 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.614 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 4.7 pt-20 -66.07 -26.15 67.36 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.62 -40.38 34.57 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.875 179.187 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.617 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -52.33 -45.81 65.8 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 121.359 0.6 . . . . 0.0 109.77 178.911 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.622 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 11.0 m -66.34 -51.25 59.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.541 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.12 -65.61 0.7 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -178.56 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.523 ' OG1' HD12 ' A' ' 27' ' ' LEU . 26.6 p -47.53 -43.74 25.17 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -178.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.617 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.1 mp -85.29 -38.73 18.5 Favored 'General case' 0 C--O 1.231 0.113 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.726 -179.053 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.496 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -112.72 113.29 50.34 Favored Pre-proline 0 C--N 1.331 -0.21 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.994 -178.765 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -78.42 65.15 8.57 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.615 2.21 . . . . 0.0 111.109 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.625 ' HG3' ' HB3' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -104.28 170.65 7.78 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.373 0.606 . . . . 0.0 112.167 -178.799 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.543 ' H ' ' HD3' ' A' ' 30' ' ' ARG . . . -117.13 -17.17 5.88 Favored Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.089 -0.959 . . . . 0.0 111.013 178.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.475 ' HG2' HH11 ' A' ' 30' ' ' ARG . 0.3 OUTLIER -112.73 12.19 19.6 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.117 0.484 . . . . 0.0 110.29 179.411 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.622 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 9.3 t -99.83 158.34 15.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.249 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.522 ' HB ' ' O ' ' A' ' 33' ' ' CYS . 9.3 t 175.83 -152.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.718 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.454 ' N ' HG23 ' A' ' 34' ' ' THR . 1.4 p -97.73 124.84 42.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.186 0.517 . . . . 0.0 110.793 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.596 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 12.1 p -129.05 124.63 35.37 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.299 -179.048 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -134.98 156.96 48.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.279 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.63 -72.6 0.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.947 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.5 pttm -168.5 43.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.705 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 54.7 mtm -143.52 -179.4 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -78.17 -18.98 54.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.045 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.96 140.88 47.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.45 0.643 . . . . 0.0 111.739 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.633 ' CE1' ' H ' ' A' ' 16' ' ' CYS . 3.3 p80 -151.57 -171.52 3.96 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.076 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.537 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 82.0 p -153.99 -149.66 0.29 Allowed 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.957 177.622 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.723 ' H ' HG22 ' A' ' 7' ' ' THR . 58.6 m -99.77 175.92 5.63 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.024 0.44 . . . . 0.0 111.613 -179.51 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -151.05 39.39 0.68 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.611 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.625 ' HB3' ' HG3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -59.45 -23.93 63.11 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.295 0.569 . . . . 0.0 110.0 179.249 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.762 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.4 OUTLIER -135.69 133.33 37.99 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.363 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.6 t -43.35 93.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.09 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' A' ' 48' ' ' LYS . 29.6 p . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.891 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.861 0.362 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -159.04 -80.08 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.95 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.7 mtt -139.02 -168.62 2.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.745 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.951 ' HG3' ' HB2' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -117.55 -30.31 5.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.091 0.472 . . . . 0.0 109.944 179.694 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.478 ' N ' ' HG2' ' A' ' 4' ' ' LYS . 11.3 ttt-85 64.9 73.45 0.42 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.881 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.788 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 2.0 p -47.47 129.8 13.42 Favored 'General case' 0 N--CA 1.461 0.1 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.16 178.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.749 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.6 OUTLIER 58.61 168.87 0.06 Allowed 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.238 0.542 . . . . 0.0 111.509 -179.775 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.481 ' NH1' ' HD2' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -109.22 34.32 3.81 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.733 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.07 21.15 7.54 Favored Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.265 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.406 ' HD1' ' OG ' ' A' ' 44' ' ' SER . 71.6 t80 64.03 91.51 0.07 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.671 -0.265 . . . . 0.0 110.542 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.452 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -161.82 51.43 0.22 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.809 ' HG3' ' HE2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -112.66 157.54 21.12 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 177.906 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.41 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.3 OUTLIER -149.94 156.41 41.69 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -177.837 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.474 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 102.02 50.06 1.19 Allowed Glycine 0 C--N 1.339 0.695 0 CA-C-N 115.238 -0.892 . . . . 0.0 113.445 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 14' ' ' GLY . 12.1 mttt 23.27 82.9 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 122.774 0.43 . . . . 0.0 111.366 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.638 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 53.81 57.25 6.21 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.515 0.674 . . . . 0.0 109.651 -178.308 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.637 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -76.79 157.6 31.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.404 -179.059 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.58 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -55.8 -57.56 11.5 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.94 178.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.447 ' HA ' HD22 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -52.28 -22.76 4.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.608 179.769 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.637 ' H ' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -77.78 -51.06 11.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.448 179.717 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.58 ' HG2' ' O ' ' A' ' 18' ' ' THR . 5.7 pt-20 -64.92 -26.73 68.43 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.032 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.02 -36.13 41.6 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.062 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.809 ' HE2' ' HG3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -55.97 -47.37 77.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.4 0.619 . . . . 0.0 109.426 178.939 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.683 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 3.6 m -69.43 -37.95 77.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.091 -0.958 . . . . 0.0 112.422 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.49 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -76.92 -67.67 0.68 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -178.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.555 ' OG1' HD12 ' A' ' 27' ' ' LEU . 30.8 p -51.31 -41.34 60.44 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -178.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.627 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.9 mp -85.36 -39.11 17.99 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.828 -179.065 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.515 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.3 OUTLIER -111.82 111.3 54.09 Favored Pre-proline 0 CA--C 1.529 0.173 0 C-N-CA 120.879 -0.329 . . . . 0.0 111.302 -178.599 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -80.44 65.76 8.88 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.431 2.087 . . . . 0.0 111.554 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.429 ' CB ' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -109.42 166.07 11.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.25 0.547 . . . . 0.0 112.146 -178.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -106.85 -17.92 11.3 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.907 178.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -112.62 15.06 20.15 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.061 0.458 . . . . 0.0 110.255 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.683 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 15.3 t -99.71 154.02 18.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.27 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.53 ' HB ' ' O ' ' A' ' 33' ' ' CYS . 7.3 t 175.22 -151.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.771 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.499 ' N ' HG23 ' A' ' 34' ' ' THR . 0.6 OUTLIER -97.54 131.68 43.92 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.984 0.421 . . . . 0.0 111.026 -179.828 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.452 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 30.7 t -134.57 125.59 27.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.78 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.408 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 23.4 t0 -135.14 156.39 49.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.821 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.8 t -103.65 -71.21 0.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -169.61 40.87 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.757 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.0 mtt -143.65 159.6 42.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -57.04 -27.53 61.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.16 141.53 34.85 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.419 0.628 . . . . 0.0 111.641 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.638 ' CE1' ' H ' ' A' ' 16' ' ' CYS . 3.0 p80 -151.21 -173.0 4.36 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.032 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.532 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 96.5 p -153.63 -152.96 0.44 Allowed 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.778 177.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.749 ' H ' HG22 ' A' ' 7' ' ' THR . 28.8 m -99.8 174.63 6.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.068 0.461 . . . . 0.0 111.979 -179.28 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -151.08 49.63 0.84 Allowed 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.306 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.951 ' HB2' ' HG3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -73.29 -21.42 60.59 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 121.381 0.61 . . . . 0.0 109.765 179.14 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.788 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 2.0 tmtt? -131.5 132.97 44.63 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.155 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 t -48.11 89.1 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.629 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 48' ' ' LYS . 28.3 p . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.222 -0.894 . . . . 0.0 111.05 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.6 t30 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.85 0.357 . . . . 0.0 111.276 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.6 tp -129.55 -41.83 1.34 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.976 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 7.4 mtt -123.39 -82.9 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.741 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.614 ' HB2' ' HB2' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -135.21 -34.26 0.87 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.259 179.722 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 56.63 77.26 0.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.451 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.571 ' HA ' ' SG ' ' A' ' 47' ' ' CYS . 27.1 p -44.67 135.71 4.79 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.05 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.883 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.6 OUTLIER 57.43 173.57 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.27 0.557 . . . . 0.0 112.228 179.253 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.594 ' HD3' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -115.17 27.99 9.0 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.079 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.0 16.23 3.65 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 114.516 -1.22 . . . . 0.0 110.977 -178.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.1 t80 64.26 92.72 0.07 Allowed 'General case' 0 C--O 1.231 0.107 0 CA-C-N 115.639 -0.28 . . . . 0.0 110.742 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.498 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -162.02 51.96 0.22 Allowed 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -179.834 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.737 ' HE3' ' HG2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -111.67 155.26 23.7 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 177.81 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.403 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -150.26 155.97 40.69 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 -177.779 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 104.73 46.28 1.31 Allowed Glycine 0 C--N 1.338 0.65 0 CA-C-N 115.267 -0.879 . . . . 0.0 113.403 179.236 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 14' ' ' GLY . 2.7 mttt 30.31 84.16 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 122.56 0.344 . . . . 0.0 111.311 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.585 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.3 OUTLIER 50.65 51.42 16.96 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-O 121.535 0.684 . . . . 0.0 109.701 -178.554 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.595 ' H ' ' HE1' ' A' ' 43' ' ' HIS . 0.7 OUTLIER -71.25 155.75 40.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.131 -179.234 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.561 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.5 m -53.99 -56.6 16.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.966 179.19 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.457 ' HA ' HD22 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -50.22 -25.15 3.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.962 179.872 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.676 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -77.46 -51.58 10.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.587 179.798 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.597 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 9.3 pt-20 -64.59 -28.03 69.35 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.69 -35.33 57.96 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.851 179.037 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.737 ' HG2' ' HE3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -56.37 -51.16 69.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.419 0.628 . . . . 0.0 109.328 178.822 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.468 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 2.8 m -68.44 -31.08 70.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.088 -0.96 . . . . 0.0 112.191 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.523 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -81.15 -71.45 0.47 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.038 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.492 ' OG1' HD12 ' A' ' 27' ' ' LEU . 47.8 p -47.79 -39.78 19.11 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -179.269 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.6 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.5 mp -85.52 -37.95 19.09 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 120.683 -0.407 . . . . 0.0 112.069 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.512 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -114.28 115.39 45.03 Favored Pre-proline 0 CA--C 1.529 0.157 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.277 -178.72 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -83.82 65.38 7.29 Favored 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.448 2.099 . . . . 0.0 111.095 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.576 ' HD3' ' H ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -114.54 179.06 4.06 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.404 0.621 . . . . 0.0 112.417 -178.53 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.576 ' H ' ' HD3' ' A' ' 30' ' ' ARG . . . -119.05 -34.51 1.03 Allowed Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.272 178.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.52 11.24 27.05 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.296 0.57 . . . . 0.0 109.986 179.013 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.523 ' HB2' ' HB3' ' A' ' 47' ' ' CYS . 36.5 t -105.89 148.13 27.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.367 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.493 HG23 ' N ' ' A' ' 35' ' ' CYS . 13.2 t 178.21 -146.23 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.97 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.493 ' N ' HG23 ' A' ' 34' ' ' THR . 0.2 OUTLIER -97.39 139.79 32.82 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.092 0.472 . . . . 0.0 111.297 -179.484 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -141.0 109.11 5.76 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.589 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.493 ' HA ' ' HB3' ' A' ' 43' ' ' HIS . 2.4 p-10 -115.83 165.27 13.27 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.201 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 p -110.05 -87.59 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.775 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.85 59.72 0.03 OUTLIER 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.931 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -148.01 -85.66 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -169.58 -33.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.414 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -99.54 140.38 33.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.276 0.56 . . . . 0.0 111.044 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.652 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.6 p80 -150.79 -176.94 5.71 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.343 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.612 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 94.1 p -153.62 -155.13 0.57 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.098 178.237 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.883 ' H ' HG22 ' A' ' 7' ' ' THR . 9.7 m -99.45 171.2 8.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.91 0.386 . . . . 0.0 111.63 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -150.62 47.9 0.88 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.241 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.614 ' HB2' ' HB2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -60.96 -26.68 67.72 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 121.415 0.626 . . . . 0.0 109.909 179.062 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.562 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -141.87 124.87 16.21 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.461 179.798 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 t -34.72 96.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.74 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.726 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.712 0.291 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 57.19 90.08 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.963 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.603 ' H ' ' HE2' ' A' ' 4' ' ' LYS . 2.6 ttt -152.79 30.72 0.51 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.07 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.603 ' HE2' ' H ' ' A' ' 3' ' ' MET . 0.0 OUTLIER -122.22 -157.46 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.525 179.705 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -161.81 85.16 0.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.744 0.307 . . . . 0.0 111.178 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.81 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 11.1 p -55.92 121.0 8.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.488 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.64 HG22 ' H ' ' A' ' 45' ' ' CYS . 1.1 p 63.68 128.81 0.01 OUTLIER 'General case' 0 C--O 1.23 0.069 0 CA-C-O 121.18 0.514 . . . . 0.0 111.259 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 1.005 ' HD2' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.01 36.39 1.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.303 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 127.22 5.92 5.46 Favored Glycine 0 N--CA 1.444 -0.803 0 CA-C-N 114.748 -1.115 . . . . 0.0 110.973 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.41 ' HD1' ' HB3' ' A' ' 44' ' ' SER . 19.3 t80 56.53 88.88 0.05 OUTLIER 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 115.655 -0.272 . . . . 0.0 110.345 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.509 ' HB3' HH11 ' A' ' 11' ' ' ARG . 0.0 OUTLIER -163.83 52.75 0.15 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -179.745 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.72 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -109.04 157.45 18.69 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 176.916 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.453 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.5 OUTLIER -150.51 159.14 44.7 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -177.572 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.454 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 102.96 44.81 1.7 Allowed Glycine 0 C--N 1.336 0.577 0 CA-C-N 115.223 -0.899 . . . . 0.0 113.596 178.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 14' ' ' GLY . 1.5 mttt 27.06 84.02 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 122.573 0.349 . . . . 0.0 111.413 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.596 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 1.6 t 55.19 51.36 13.36 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.385 0.612 . . . . 0.0 109.789 -178.436 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.576 ' H ' ' HE1' ' A' ' 43' ' ' HIS . 0.7 OUTLIER -76.57 153.91 34.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.278 -179.31 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.51 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -54.32 -52.79 60.4 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.076 179.195 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -50.21 -26.74 4.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.853 179.801 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.605 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -78.34 -50.86 11.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.489 179.766 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.567 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 4.5 pt-20 -63.85 -23.31 67.3 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.17 -36.69 24.52 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.073 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.496 ' HG2' ' NH2' ' A' ' 8' ' ' ARG . 0.1 OUTLIER -53.67 -43.19 68.66 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.345 0.593 . . . . 0.0 109.501 178.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.2 m -76.66 -42.35 42.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.139 -0.937 . . . . 0.0 112.171 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.537 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -65.85 -28.11 68.73 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 -178.562 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.2 p -85.65 -34.27 21.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.735 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.005 HD22 ' HD2' ' A' ' 8' ' ' ARG . 0.5 OUTLIER -85.15 -46.49 11.05 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -178.885 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.613 ' HE2' HH11 ' A' ' 8' ' ' ARG . 1.4 m-85 -133.16 112.84 13.32 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.458 -178.409 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 28' ' ' TYR . 2.3 Cg_endo -79.87 69.6 7.87 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.799 2.332 . . . . 0.0 111.635 179.453 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.663 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 11.6 mmm180 -110.8 -172.09 1.96 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.492 -179.364 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -105.72 -29.11 5.12 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.394 179.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.438 ' C ' ' HA ' ' A' ' 47' ' ' CYS . 2.4 mt-30 -105.31 9.47 33.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.295 0.569 . . . . 0.0 110.332 179.32 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.663 ' HB2' ' HB2' ' A' ' 30' ' ' ARG . 4.6 t -99.72 74.76 1.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.842 179.381 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.477 HG23 ' N ' ' A' ' 35' ' ' CYS . 8.9 t -131.81 -132.63 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.116 -178.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.477 ' N ' HG23 ' A' ' 34' ' ' THR . 0.0 OUTLIER -98.17 131.71 44.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.03 0.443 . . . . 0.0 111.064 -179.764 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.2 t -137.68 111.84 8.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.775 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.479 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 38.8 t70 -129.75 158.54 39.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.881 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.5 t -105.82 -67.67 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.831 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.73 47.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.44 -177.79 5.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.805 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -79.12 -31.68 44.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.732 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -99.84 143.73 29.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.355 0.598 . . . . 0.0 111.443 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.627 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 2.3 p80 -151.22 -178.47 6.66 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.374 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.532 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 80.4 p -152.43 -150.15 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.937 177.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.64 ' H ' HG22 ' A' ' 7' ' ' THR . 0.1 OUTLIER -101.95 176.15 5.3 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -178.511 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -150.94 30.28 0.64 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.249 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.606 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -50.23 -27.49 6.07 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.477 0.656 . . . . 0.0 110.268 179.564 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.81 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -133.77 138.59 45.82 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.655 -179.746 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.25 94.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.971 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 28.1 p . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.879 -179.832 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 6.1 m120 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.763 0.316 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' ' 2' ' ' LEU . 3.8 mm? -99.29 160.85 13.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.983 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.618 ' HB3' ' HE2' ' A' ' 4' ' ' LYS . 6.3 ttt -149.88 -54.99 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.575 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.688 ' HB3' ' HE ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -131.75 -171.92 2.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.604 179.73 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -157.56 98.38 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.092 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.862 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 19.0 p -51.3 139.89 18.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.896 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.919 ' H ' ' HB2' ' A' ' 45' ' ' CYS . 0.4 OUTLIER 53.14 -172.16 0.04 OUTLIER 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 121.421 0.629 . . . . 0.0 111.675 179.6 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.746 ' HD2' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -145.35 32.54 1.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.243 -0.889 . . . . 0.0 108.797 179.257 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.81 8.62 5.13 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 114.543 -1.208 . . . . 0.0 110.652 -178.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.2 t80 56.38 85.83 0.07 Allowed 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.486 -0.357 . . . . 0.0 110.421 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.485 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -154.51 51.51 0.64 Allowed 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -179.658 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.892 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 5.0 mptt -111.08 159.06 18.15 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 178.079 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.71 156.49 41.42 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -178.551 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.451 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 100.37 52.02 1.18 Allowed Glycine 0 C--N 1.338 0.674 0 CA-C-N 115.214 -0.903 . . . . 0.0 113.616 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 14' ' ' GLY . 0.2 OUTLIER 26.81 82.27 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.898 0.349 . . . . 0.0 111.604 -179.667 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.624 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 49.91 52.15 15.2 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.311 0.577 . . . . 0.0 110.114 -178.896 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.568 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -70.99 151.45 44.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.263 -0.881 . . . . 0.0 111.266 -179.558 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.521 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.0 OUTLIER -50.56 -51.2 50.27 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 120.891 0.377 . . . . 0.0 110.145 179.3 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.0 tt -48.71 -44.69 38.38 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.415 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.892 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -65.56 -44.59 86.3 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.267 -179.543 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.621 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 5.5 pt-20 -67.48 -23.21 65.46 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.106 0.479 . . . . 0.0 109.808 179.526 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.53 -41.28 24.48 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.298 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.701 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -50.57 -49.37 56.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.579 178.863 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.438 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 4.7 m -66.94 -44.47 80.56 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.067 -0.969 . . . . 0.0 111.507 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.562 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -61.08 -72.06 0.13 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.879 -179.057 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.6 p -48.5 -38.43 20.15 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.746 HD22 ' HD2' ' A' ' 8' ' ' ARG . 0.1 OUTLIER -77.76 -33.84 52.6 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.304 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 27' ' ' LEU . 3.5 m-85 -140.86 110.24 6.61 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.206 -178.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -79.44 47.03 2.38 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.614 2.209 . . . . 0.0 111.983 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.688 ' HE ' ' HB3' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -81.94 -177.98 6.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.606 -179.5 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -105.56 -11.28 29.28 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.124 178.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.16 13.99 6.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.011 0.434 . . . . 0.0 110.67 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.541 ' HB2' ' HB3' ' A' ' 47' ' ' CYS . 34.8 t -99.87 65.1 1.29 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.959 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.521 HG23 ' N ' ' A' ' 35' ' ' CYS . 14.6 t -111.78 -141.57 0.38 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.895 -179.208 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.521 ' N ' HG23 ' A' ' 34' ' ' THR . 0.8 OUTLIER -98.53 129.46 45.09 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.09 0.471 . . . . 0.0 111.252 -179.53 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.542 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.4 OUTLIER -135.87 122.34 20.7 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.676 -179.808 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.474 ' HA ' ' HB3' ' A' ' 43' ' ' HIS . 19.2 t0 -121.34 150.98 40.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.289 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.536 ' O ' ' HB2' ' A' ' 39' ' ' LYS . 14.9 t -99.85 24.08 8.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.263 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.536 ' HB2' ' O ' ' A' ' 38' ' ' SER . 0.1 OUTLIER 74.87 40.69 0.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.735 -179.43 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.9 mmt -138.33 172.57 12.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.444 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 40.9 t-20 -64.67 -32.56 74.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.572 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.53 141.96 39.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.474 0.654 . . . . 0.0 111.296 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.635 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.2 p80 -151.36 -171.49 3.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.967 -1.015 . . . . 0.0 108.994 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.515 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 69.4 p -154.37 -145.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.709 177.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.919 ' HB2' ' H ' ' A' ' 7' ' ' THR . 26.7 m -103.37 178.59 4.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.033 0.444 . . . . 0.0 111.782 -179.413 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -150.23 37.01 0.68 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.828 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.541 ' HB3' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -57.8 -23.49 52.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.283 179.491 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.862 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -131.13 135.12 47.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.543 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.4 t -52.11 94.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.875 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 24.4 p . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.879 -179.802 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.796 0.331 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -154.41 159.82 41.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.7 mtt -110.56 152.93 25.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.702 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.519 ' HD2' ' HB2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -117.3 -170.52 1.86 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.907 0.384 . . . . 0.0 111.093 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -153.99 87.61 1.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.623 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.451 ' SG ' HG23 ' A' ' 7' ' ' THR . 1.1 p -46.34 134.62 8.76 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.276 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.811 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.2 OUTLIER 56.16 170.14 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.333 0.587 . . . . 0.0 112.316 179.469 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.415 ' HD2' ' OH ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -117.97 28.43 8.41 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.315 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.58 18.04 2.78 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 114.62 -1.173 . . . . 0.0 111.296 -178.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 50.7 t80 59.93 95.81 0.03 OUTLIER 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.521 0.2 . . . . 0.0 110.713 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.489 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -164.85 53.28 0.12 Allowed 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 179.893 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.882 ' HE3' ' HG2' ' A' ' 23' ' ' LYS . 8.8 mptt -113.2 157.14 22.09 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 177.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.406 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.1 OUTLIER -149.81 154.69 38.83 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -178.187 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 102.57 47.21 1.42 Allowed Glycine 0 C--N 1.339 0.718 0 CA-C-N 115.15 -0.932 . . . . 0.0 113.5 179.218 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 14' ' ' GLY . 0.2 OUTLIER 31.6 83.81 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 122.449 0.3 . . . . 0.0 111.381 -179.79 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.603 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 47.92 49.67 16.67 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.619 0.723 . . . . 0.0 109.573 -178.446 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.574 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.6 OUTLIER -66.77 158.56 30.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.722 -1.126 . . . . 0.0 111.55 -179.184 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.519 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -55.63 -52.41 63.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.987 179.128 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.442 ' HA ' HD22 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -54.81 -22.69 15.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.393 179.713 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.617 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -80.54 -46.47 15.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.354 179.642 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.582 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 4.9 pt-20 -69.36 -24.5 63.9 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.87 -34.14 45.17 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.481 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.882 ' HG2' ' HE3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -59.1 -49.66 77.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.557 178.909 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.615 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 3.7 m -69.81 -32.01 70.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.316 -0.856 . . . . 0.0 112.196 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.529 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -80.21 -67.14 0.79 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.862 0.363 . . . . 0.0 111.847 -179.097 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.472 ' OG1' HD12 ' A' ' 27' ' ' LEU . 32.7 p -51.65 -38.79 56.42 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.557 0.576 . . . . 0.0 112.557 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.63 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.5 mp -85.34 -35.48 21.4 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.693 -179.352 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.497 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -116.63 115.07 39.66 Favored Pre-proline 0 C--N 1.332 -0.191 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.052 -179.148 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -82.45 52.35 4.07 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.268 1.978 . . . . 0.0 111.044 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.417 ' NE ' ' HG2' ' A' ' 4' ' ' LYS . 16.0 mmm180 -92.82 -177.13 4.44 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.657 0.741 . . . . 0.0 112.649 -178.58 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.7 -24.89 1.31 Allowed Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.761 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.78 13.33 33.21 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.171 0.51 . . . . 0.0 109.78 178.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.615 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 12.8 t -104.75 155.29 19.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.376 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.516 ' HB ' ' O ' ' A' ' 33' ' ' CYS . 9.7 t 176.47 -150.99 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.024 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.478 ' N ' HG23 ' A' ' 34' ' ' THR . 0.8 OUTLIER -98.15 130.81 44.9 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.105 0.479 . . . . 0.0 110.829 -179.601 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.579 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 67.2 m -135.96 122.51 20.83 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.267 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -132.14 157.71 43.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.304 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.42 -75.85 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.965 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -163.78 39.41 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.69 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.16 166.32 24.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.842 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -68.12 -10.59 55.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.915 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.421 HG22 ' O ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -120.39 140.99 50.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.434 0.635 . . . . 0.0 111.702 179.765 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.634 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 2.8 p80 -151.36 -171.56 3.97 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.038 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.573 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 80.6 p -154.68 -151.12 0.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.45 -0.5 . . . . 0.0 111.215 177.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.811 ' H ' HG22 ' A' ' 7' ' ' THR . 39.2 m -99.68 169.44 9.27 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.856 0.36 . . . . 0.0 111.404 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -150.34 41.84 0.81 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.626 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.57 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -59.23 -26.25 64.72 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 121.465 0.65 . . . . 0.0 109.772 178.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.519 ' HB2' ' HD2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -132.61 136.58 46.62 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.372 -179.816 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.8 86.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.815 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 48' ' ' LYS . 85.1 m . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.873 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.865 0.364 . . . . 0.0 111.301 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.11 153.56 26.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.004 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.9 mtm -93.82 170.46 9.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.809 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.503 ' HD3' ' HG3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -113.71 -15.32 12.48 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.727 179.629 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.5 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 35.36 91.85 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.631 179.645 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.862 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 9.3 p -52.17 143.18 14.91 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.608 179.249 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.402 HG22 ' H ' ' A' ' 45' ' ' CYS . 1.4 p 61.76 131.56 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 121.184 0.516 . . . . 0.0 111.586 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 1.023 ' HD2' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.66 34.04 2.35 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.726 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.99 6.2 2.57 Favored Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 114.515 -1.22 . . . . 0.0 110.879 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.6 t80 53.44 70.5 0.59 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.429 -0.385 . . . . 0.0 110.37 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.742 ' HG3' ' HZ2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -145.94 63.98 1.23 Allowed 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -179.202 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.802 ' HE3' ' HE3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -113.83 157.9 21.71 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 177.802 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.46 158.07 43.74 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 -178.127 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.49 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 97.96 57.95 1.0 Allowed Glycine 0 C--N 1.337 0.629 0 CA-C-N 115.206 -0.906 . . . . 0.0 113.297 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.49 ' C ' ' O ' ' A' ' 14' ' ' GLY . 1.2 mttt 19.48 83.94 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 122.991 0.516 . . . . 0.0 111.895 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.419 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 1.3 t 50.67 59.58 4.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.517 -178.603 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.561 ' HB ' ' HG2' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -80.32 150.15 30.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.497 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.498 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -52.9 -51.66 60.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.544 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.19 -27.96 6.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.013 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.561 ' HG2' ' HB ' ' A' ' 17' ' ' THR . 6.8 mm-40 -77.74 -49.17 14.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.527 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 3.9 pt-20 -64.53 -27.51 69.02 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.033 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.94 -36.01 42.36 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.516 178.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.802 ' HE3' ' HE3' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -50.88 -57.65 7.96 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.394 178.62 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.684 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 0.6 OUTLIER -67.75 -32.31 72.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.0 179.313 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.527 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -61.68 -73.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.327 -179.366 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.8 p -52.89 -31.86 41.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.948 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.023 HD22 ' HD2' ' A' ' 8' ' ' ARG . 0.2 OUTLIER -77.15 -34.44 56.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.761 0.315 . . . . 0.0 111.694 -179.475 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.544 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 2.1 m-85 -143.13 104.93 5.16 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.669 -178.282 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.438 ' HD2' HH21 ' A' ' 30' ' ' ARG . 4.6 Cg_exo -74.59 76.41 3.23 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.719 2.28 . . . . 0.0 111.497 179.387 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.471 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 2.5 mmp_? -113.71 -170.02 1.62 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.496 0.665 . . . . 0.0 111.87 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.41 -18.52 8.03 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.56 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.45 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 0.6 OUTLIER -118.1 12.85 13.72 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.029 0.442 . . . . 0.0 110.142 179.257 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.684 ' SG ' ' HB2' ' A' ' 24' ' ' CYS . 32.1 t -99.4 68.39 1.61 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.683 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.49 HG23 ' N ' ' A' ' 35' ' ' CYS . 9.0 t -115.26 -150.11 0.46 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.617 -179.256 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.49 ' N ' HG23 ' A' ' 34' ' ' THR . 1.6 t -98.19 144.51 27.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.021 0.438 . . . . 0.0 111.43 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.475 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -146.65 126.25 13.33 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.998 -179.872 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -131.53 156.86 44.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.468 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 t -99.71 -77.47 0.52 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.056 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.33 42.66 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.619 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 62.4 mtp -144.13 -172.91 3.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -80.27 -27.91 38.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.859 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.85 140.91 37.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.408 0.623 . . . . 0.0 111.564 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.615 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 7.4 p-80 -151.1 -168.99 3.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.107 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.591 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 80.3 p -153.48 -145.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 177.407 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.542 ' HB2' HH22 ' A' ' 8' ' ' ARG . 84.4 m -130.14 150.97 51.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.926 0.393 . . . . 0.0 111.534 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -113.49 56.57 0.69 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.046 -178.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.648 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 4.2 m -60.53 -26.15 66.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.296 0.57 . . . . 0.0 110.124 178.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.862 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 8.6 tmtt? -131.88 161.25 33.45 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.684 -179.553 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.27 66.28 1.72 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.667 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.896 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.802 0.335 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.57 172.71 15.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.817 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.2 ptm -96.71 176.47 5.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.69 ' HE3' ' HE ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -109.88 -156.74 0.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.737 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.73 70.04 0.94 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.307 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.833 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 25.9 p -50.98 124.1 10.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.841 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.516 HG22 ' H ' ' A' ' 45' ' ' CYS . 1.0 OUTLIER 60.77 147.31 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.312 0.577 . . . . 0.0 111.928 179.827 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.962 ' HD3' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.4 35.48 1.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 178.779 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.24 17.09 5.86 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.138 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 63.7 t80 59.29 88.07 0.07 Allowed 'General case' 0 C--O 1.233 0.189 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.03 57.57 0.25 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.741 ' HG3' ' HE2' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -113.68 153.41 28.99 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 177.444 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.464 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -146.5 158.81 43.95 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -177.808 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.51 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 95.02 60.41 1.07 Allowed Glycine 0 C--N 1.338 0.643 0 CA-C-N 115.149 -0.932 . . . . 0.0 113.164 179.499 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.51 ' C ' ' O ' ' A' ' 14' ' ' GLY . 20.4 mttt 16.45 84.58 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.12 0.568 . . . . 0.0 111.853 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.692 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 52.8 59.89 4.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.147 -178.668 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.51 ' H ' ' HE1' ' A' ' 43' ' ' HIS . 0.4 OUTLIER -82.22 160.23 23.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.26 -179.381 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.433 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.9 m -54.87 -58.87 5.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.608 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -47.77 -26.15 1.5 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.197 -179.822 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.709 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -78.18 -53.57 7.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.64 179.903 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.521 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 2.9 pt-20 -60.96 -26.12 67.32 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 178.629 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -73.51 -46.49 47.56 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.444 178.804 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.741 ' HE2' ' HG3' ' A' ' 12' ' ' LYS . 0.7 OUTLIER -51.43 -39.34 57.15 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 178.784 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.582 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 19.9 m -63.7 -48.86 75.41 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.697 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.89 -69.08 0.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -179.111 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.0 p -45.88 -40.12 9.57 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.962 HD12 ' HD3' ' A' ' 8' ' ' ARG . 1.2 mm? -79.92 -39.06 31.15 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 120.791 0.329 . . . . 0.0 111.189 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.709 ' OH ' ' HD2' ' A' ' 8' ' ' ARG . 1.4 m-85 -131.31 122.4 19.03 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.591 -177.154 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -82.95 43.81 1.55 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.566 2.177 . . . . 0.0 111.491 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.7 ' HD3' ' H ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -77.62 160.78 28.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.163 -178.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.7 ' H ' ' HD3' ' A' ' 30' ' ' ARG . . . -104.56 -8.75 37.07 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 178.356 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.493 ' H ' ' HD3' ' A' ' 30' ' ' ARG . 7.8 mt-30 -125.27 18.64 8.28 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.943 0.402 . . . . 0.0 110.6 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.582 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 36.5 t -99.48 149.8 22.85 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.954 179.402 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.435 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 5.4 t -177.88 -159.7 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.304 -179.463 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.427 ' N ' HG23 ' A' ' 34' ' ' THR . 0.5 OUTLIER -96.38 127.41 42.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.157 0.504 . . . . 0.0 111.379 -179.045 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.0 t -127.64 129.62 47.53 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.744 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.436 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 32.0 t70 -139.15 156.21 47.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.594 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 p -99.96 -73.33 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -169.09 44.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.727 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 70.6 mmm -139.78 -167.77 2.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.834 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -88.47 -28.05 21.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.33 142.24 33.87 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.381 0.61 . . . . 0.0 111.469 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.692 ' CE1' ' H ' ' A' ' 16' ' ' CYS . 2.0 p80 -151.27 -174.64 4.88 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.092 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.544 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 88.3 p -153.34 -158.79 0.91 Allowed 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.836 177.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.516 ' H ' HG22 ' A' ' 7' ' ' THR . 81.2 m -99.42 176.21 5.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.721 0.296 . . . . 0.0 111.075 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -150.51 48.85 0.88 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.526 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.557 ' HB3' ' HG3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -63.6 -22.9 67.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.298 0.57 . . . . 0.0 110.035 179.103 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.833 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.4 OUTLIER -136.0 126.89 27.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -43.93 94.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.7 p . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.837 -179.631 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.782 0.325 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.68 50.71 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.816 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.618 ' HB2' ' HZ1' ' A' ' 4' ' ' LYS . 10.3 mtt -62.33 -53.31 56.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.045 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.618 ' HZ1' ' HB2' ' A' ' 3' ' ' MET . 0.0 OUTLIER -121.89 -166.05 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.11 94.54 1.64 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.158 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.58 ' HB2' ' HA ' ' A' ' 46' ' ' ASP . 1.0 OUTLIER -58.19 135.36 57.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.584 179.736 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.421 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.9 OUTLIER 59.29 149.13 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 121.29 0.567 . . . . 0.0 112.138 179.87 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.938 ' HD3' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.26 36.74 1.67 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.748 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.33 17.62 7.58 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 114.6 -1.182 . . . . 0.0 110.475 -178.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.47 ' HD1' ' HB3' ' A' ' 44' ' ' SER . 10.0 t80 59.73 95.27 0.03 OUTLIER 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 115.517 -0.341 . . . . 0.0 110.253 -179.405 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.9 53.96 0.1 Allowed 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.654 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 1.1 mptt -110.55 156.02 21.5 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 177.476 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.432 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -148.81 155.62 41.18 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 -177.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.486 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 99.26 56.42 0.99 Allowed Glycine 0 C--N 1.337 0.609 0 CA-C-N 115.15 -0.932 . . . . 0.0 113.141 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' A' ' 14' ' ' GLY . 3.8 mttt 19.52 84.56 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.042 0.537 . . . . 0.0 111.701 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.676 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 52.25 58.83 5.01 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.484 0.659 . . . . 0.0 109.758 -178.525 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.608 ' H ' ' HE1' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -79.24 160.51 26.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.321 -179.072 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.577 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.3 m -56.76 -58.13 9.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.213 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -49.17 -25.51 2.26 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.963 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.57 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -76.99 -53.29 8.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.541 179.801 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.577 ' HG2' ' O ' ' A' ' 18' ' ' THR . 7.0 pt-20 -59.6 -29.18 67.8 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 178.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -47.77 57.05 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.481 178.633 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.715 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 3.2 ttpt -51.24 -36.85 43.87 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.361 0.6 . . . . 0.0 109.467 178.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.498 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 37.1 m -65.3 -47.34 76.93 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.888 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.22 -65.82 0.9 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -179.135 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.8 p -47.77 -41.2 22.74 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.938 HD12 ' HD3' ' A' ' 8' ' ' ARG . 1.2 mm? -79.66 -40.34 29.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.825 0.345 . . . . 0.0 111.477 -179.318 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.692 ' OH ' ' HD2' ' A' ' 8' ' ' ARG . 1.6 m-85 -126.85 123.58 23.75 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.746 -176.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -86.67 48.62 1.91 Allowed 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 122.686 2.258 . . . . 0.0 111.472 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.684 HH11 ' HG2' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -87.9 159.71 18.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.106 -178.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.634 ' H ' ' HD3' ' A' ' 30' ' ' ARG . . . -99.64 -15.52 31.57 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 178.143 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.684 ' HG2' HH11 ' A' ' 30' ' ' ARG . 11.3 mm-40 -117.0 21.24 13.39 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.354 -0.423 . . . . 0.0 110.338 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.624 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 34.6 t -99.44 147.83 24.86 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.197 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.442 HG23 ' N ' ' A' ' 35' ' ' CYS . 4.4 t -178.61 -161.2 0.05 OUTLIER 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.037 -179.348 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.442 ' N ' HG23 ' A' ' 34' ' ' THR . 0.4 OUTLIER -96.22 131.59 42.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.314 0.578 . . . . 0.0 111.382 -179.195 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.425 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 34.2 t -134.12 134.07 41.81 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.611 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.439 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 31.1 t0 -142.58 159.69 41.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.666 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.63 -73.66 0.64 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.777 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -168.75 54.67 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.78 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.26 -170.29 3.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -87.0 -23.3 25.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.29 141.5 37.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.319 0.581 . . . . 0.0 111.635 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.676 ' CE1' ' H ' ' A' ' 16' ' ' CYS . 2.3 p80 -151.14 -174.26 4.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.069 -0.968 . . . . 0.0 109.264 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.528 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 69.6 p -153.9 -160.88 1.15 Allowed 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.696 177.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.421 ' H ' HG22 ' A' ' 7' ' ' THR . 61.8 m -99.41 175.27 5.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.755 0.312 . . . . 0.0 111.211 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.58 ' HA ' ' HB2' ' A' ' 6' ' ' CYS . 3.5 t70 -150.54 49.55 0.88 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.402 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.624 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -62.0 -24.15 66.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.262 0.553 . . . . 0.0 110.105 179.203 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.618 ' HB2' ' HD2' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -126.96 144.95 50.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.534 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.08 84.97 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.749 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.434 ' N ' ' O ' ' A' ' 48' ' ' LYS . 60.9 m . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.811 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.749 0.309 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.21 1.9 15.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -119.48 145.42 46.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.603 ' HD3' ' HB2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -119.65 -35.22 3.58 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.697 179.868 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 57.32 74.74 0.4 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.338 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.472 ' HB2' ' HA ' ' A' ' 46' ' ' ASP . 1.1 p -53.12 136.98 34.8 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.742 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.435 HG23 ' SG ' ' A' ' 6' ' ' CYS . 1.0 OUTLIER 59.78 147.72 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.283 0.563 . . . . 0.0 112.168 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.999 ' HD3' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.53 34.5 2.2 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.697 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.01 17.54 5.82 Favored Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.067 -178.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 44.0 t80 58.43 85.71 0.09 Allowed 'General case' 0 C--O 1.232 0.162 0 N-CA-C 110.348 -0.241 . . . . 0.0 110.348 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -158.89 55.15 0.42 Allowed 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -179.59 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.749 ' HG3' ' HE2' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -111.93 152.71 27.72 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 177.499 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.421 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.3 OUTLIER -148.81 154.54 39.67 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -177.757 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 104.69 46.14 1.33 Allowed Glycine 0 C--N 1.338 0.69 0 CA-C-N 115.167 -0.924 . . . . 0.0 113.345 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 14' ' ' GLY . 1.5 mtpt 29.35 82.41 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 122.622 0.369 . . . . 0.0 111.301 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.63 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.4 OUTLIER 53.31 50.89 16.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.438 0.637 . . . . 0.0 109.795 -178.44 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.559 ' H ' ' HE1' ' A' ' 43' ' ' HIS . 0.7 OUTLIER -72.55 155.1 40.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.938 -179.638 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.441 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.8 m -53.37 -54.08 41.85 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.236 179.408 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -50.5 -25.67 4.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.822 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.689 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -79.11 -50.58 10.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.485 179.713 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.613 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 4.2 pt-20 -62.76 -25.35 68.16 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.736 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.11 -44.88 44.67 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.451 178.609 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.749 ' HE2' ' HG3' ' A' ' 12' ' ' LYS . 0.6 OUTLIER -55.06 -36.17 65.3 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-O 121.389 0.614 . . . . 0.0 109.479 178.683 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.498 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 32.0 m -71.98 -38.05 69.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.056 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.502 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -78.39 -64.0 1.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.879 0.325 . . . . 0.0 111.879 -179.557 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.3 p -55.51 -37.61 68.1 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.999 HD12 ' HD3' ' A' ' 8' ' ' ARG . 1.0 OUTLIER -79.86 -39.54 30.37 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 120.792 0.329 . . . . 0.0 111.348 -179.339 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.693 ' OH ' ' HD2' ' A' ' 8' ' ' ARG . 1.7 m-85 -127.67 118.77 21.32 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.683 -176.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -85.53 50.97 2.81 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.611 2.207 . . . . 0.0 111.706 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.653 ' HD3' ' H ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -93.96 162.59 13.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.271 0.558 . . . . 0.0 112.132 -178.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -97.75 -19.54 24.37 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 178.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.653 ' H ' ' HD3' ' A' ' 30' ' ' ARG . 4.0 mt-30 -110.87 17.17 20.81 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 121.005 0.431 . . . . 0.0 110.247 179.386 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.549 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 43.8 t -99.32 143.84 29.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.902 179.527 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.475 HG23 ' N ' ' A' ' 35' ' ' CYS . 5.5 t -177.05 -156.55 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.202 -179.386 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.475 ' N ' HG23 ' A' ' 34' ' ' THR . 0.6 OUTLIER -95.92 125.3 40.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.19 0.519 . . . . 0.0 111.532 -179.077 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 8.2 t -123.62 124.89 43.8 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.874 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -133.24 148.92 52.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.322 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.87 -71.54 0.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -168.25 46.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.739 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.4 mtt -150.18 164.12 36.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.045 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -60.93 -28.78 69.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.048 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.15 142.53 31.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.454 0.645 . . . . 0.0 111.563 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.642 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 2.2 p80 -151.1 -172.85 4.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.015 -0.993 . . . . 0.0 108.972 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.539 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 79.7 p -153.84 -156.93 0.73 Allowed 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.971 177.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.429 ' HB2' ' H ' ' A' ' 7' ' ' THR . 75.7 m -99.47 171.85 7.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.862 0.363 . . . . 0.0 111.325 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.472 ' HA ' ' HB2' ' A' ' 6' ' ' CYS . 12.1 t70 -150.21 50.21 0.9 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.445 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.549 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -71.25 -21.18 62.14 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.388 0.613 . . . . 0.0 109.847 179.122 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.603 ' HB2' ' HD3' ' A' ' 4' ' ' LYS . 0.5 OUTLIER -126.43 137.12 53.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.351 -179.765 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.32 86.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.672 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 48' ' ' LYS . 62.3 m . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.831 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.771 0.319 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.46 129.6 25.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.461 ' HA ' ' CG ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -151.38 162.59 40.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.956 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.823 ' HE3' ' HB3' ' A' ' 28' ' ' TYR . 1.1 tmtm? -106.51 -44.37 4.51 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.529 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.599 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -179.11 10.98 0.0 OUTLIER 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.27 179.515 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.853 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 15.9 p -39.9 120.75 1.19 Allowed 'General case' 0 N--CA 1.463 0.204 0 O-C-N 123.037 0.21 . . . . 0.0 111.13 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.527 ' H ' ' HB2' ' A' ' 45' ' ' CYS . 1.5 p 62.35 134.33 0.01 OUTLIER 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.274 0.559 . . . . 0.0 111.867 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.792 ' H ' ' HZ1' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -99.18 37.18 1.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.895 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.69 11.04 11.84 Favored Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.752 -178.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.437 ' HA ' ' HB3' ' A' ' 44' ' ' SER . 0.6 OUTLIER 59.62 78.71 0.26 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.45 -0.375 . . . . 0.0 110.462 -179.634 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.51 55.61 0.91 Allowed 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -179.365 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.792 ' HZ1' ' H ' ' A' ' 8' ' ' ARG . 4.7 mptt -110.96 159.94 17.26 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 178.199 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.431 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.1 OUTLIER -150.31 153.05 35.43 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 -178.367 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 101.82 48.23 1.4 Allowed Glycine 0 C--N 1.34 0.757 0 CA-C-N 115.324 -0.853 . . . . 0.0 113.735 178.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 14' ' ' GLY . 3.7 mttp 28.21 83.92 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 122.521 0.328 . . . . 0.0 111.539 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.647 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.6 OUTLIER 50.75 50.55 18.75 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.498 0.666 . . . . 0.0 109.596 -178.577 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.537 ' H ' ' HE1' ' A' ' 43' ' ' HIS . 0.7 OUTLIER -69.87 159.21 34.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.369 -179.239 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.615 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -55.17 -54.94 36.86 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.012 179.186 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -51.74 -23.26 4.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.529 179.726 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.511 ' HG3' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -78.68 -51.58 9.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.351 179.668 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.615 ' HG2' ' O ' ' A' ' 18' ' ' THR . 6.1 pt-20 -64.16 -24.9 67.85 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.44 -37.29 37.38 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.004 179.214 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.737 ' HG2' ' HE3' ' A' ' 12' ' ' LYS . 1.4 tptt -54.49 -46.22 73.39 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.501 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 2.0 m -68.36 -41.97 79.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.221 -0.9 . . . . 0.0 112.155 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.483 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -73.39 -69.41 0.43 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.734 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.572 ' OG1' HD12 ' A' ' 27' ' ' LEU . 57.0 p -50.3 -42.79 53.13 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.881 0.696 . . . . 0.0 112.881 -178.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.651 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 6.2 mp -85.33 -40.54 16.42 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -178.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.823 ' HB3' ' HE3' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -108.4 126.2 30.14 Favored Pre-proline 0 CA--C 1.532 0.259 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.862 -179.076 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -92.61 38.68 0.24 Allowed 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 122.823 2.349 . . . . 0.0 113.33 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.732 ' HG3' ' HD2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -80.77 138.21 36.27 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.866 0.365 . . . . 0.0 111.594 -179.914 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.86 -11.84 83.36 Favored Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 110.529 -1.029 . . . . 0.0 110.529 178.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.513 ' H ' ' HD2' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -125.87 37.42 4.35 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.033 -0.583 . . . . 0.0 110.217 179.579 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.657 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 2.0 t -98.64 153.01 19.0 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.706 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.474 HG23 ' N ' ' A' ' 35' ' ' CYS . 1.3 t -178.3 -167.36 0.13 Allowed 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 120.577 -0.449 . . . . 0.0 112.025 -179.034 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.474 ' N ' HG23 ' A' ' 34' ' ' THR . 0.1 OUTLIER -97.49 147.0 24.69 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.993 0.425 . . . . 0.0 111.179 -179.42 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.486 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 10.7 t -144.59 129.35 18.26 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.043 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.448 ' OD2' ' HB3' ' A' ' 43' ' ' HIS . 14.0 t70 -137.58 161.16 37.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.655 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.9 -79.47 0.58 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.974 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.63 43.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.638 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 17.7 mtp -146.01 168.08 21.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.941 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -65.58 -26.13 67.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.001 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -103.77 142.39 34.44 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.326 0.584 . . . . 0.0 111.689 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.647 ' CE1' ' H ' ' A' ' 16' ' ' CYS . 2.3 p80 -151.29 -168.01 2.97 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.032 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.505 ' HB2' ' HZ3' ' A' ' 12' ' ' LYS . 83.4 p -152.99 -154.48 0.53 Allowed 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.709 177.466 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.527 ' HB2' ' H ' ' A' ' 7' ' ' THR . 97.6 m -99.6 177.96 5.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.32 0.581 . . . . 0.0 112.354 -178.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.417 ' HB2' ' HB2' ' A' ' 36' ' ' SER . 13.7 t0 -145.95 39.31 1.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.988 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.689 ' SG ' ' HB2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -48.25 -28.02 2.82 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.815 179.433 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.853 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -150.11 145.96 26.63 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.889 -179.21 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.45 ' N ' ' HD3' ' A' ' 48' ' ' LYS . 0.2 OUTLIER -63.26 85.92 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.879 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.6 p . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.909 -179.794 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.6 p30 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.687 0.28 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 64.69 117.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.972 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.93 144.26 55.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.073 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.526 ' HB3' ' HB2' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -117.94 -52.66 2.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.596 179.786 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.37 -7.86 0.64 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.795 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.769 ' HB2' ' HA ' ' A' ' 46' ' ' ASP . 0.5 OUTLIER 63.74 137.97 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.268 179.884 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.565 ' OG1' ' HB2' ' A' ' 44' ' ' SER . 13.7 t 40.31 -162.87 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.451 ' HG2' ' NZ ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -139.45 43.65 2.0 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.231 0.538 . . . . 0.0 109.55 -179.808 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.453 ' H ' HG23 ' A' ' 7' ' ' THR . . . 110.16 16.22 10.73 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.432 -178.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.522 ' HA ' ' CB ' ' A' ' 44' ' ' SER . 1.0 OUTLIER 57.65 76.19 0.34 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.771 -0.214 . . . . 0.0 110.44 -179.619 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.504 ' HG3' ' HE3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -144.25 52.89 1.27 Allowed 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -179.449 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.768 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -115.12 155.41 27.15 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 178.085 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.01 159.45 44.38 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -177.628 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.446 ' HA3' ' OG1' ' A' ' 17' ' ' THR . . . 104.01 44.09 1.68 Allowed Glycine 0 C--N 1.338 0.642 0 CA-C-N 115.087 -0.961 . . . . 0.0 113.447 179.173 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 14' ' ' GLY . 0.2 OUTLIER 28.71 83.78 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 122.525 0.33 . . . . 0.0 111.301 -179.764 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.63 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 52.57 51.47 16.03 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.39 0.614 . . . . 0.0 109.803 -178.494 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.678 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -72.63 153.98 40.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.222 -179.379 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.599 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -54.69 -55.08 33.61 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.043 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -50.53 -27.8 7.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.624 179.607 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.678 ' H ' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -74.32 -51.83 14.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.52 179.679 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.599 ' HG2' ' O ' ' A' ' 18' ' ' THR . 7.8 pt-20 -61.31 -33.81 74.2 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.37 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.25 -36.5 69.08 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.887 178.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.64 ' HE3' ' HE2' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -55.04 -47.05 75.29 Favored 'General case' 0 C--O 1.223 -0.334 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.795 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.584 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 3.2 m -65.53 -34.92 79.38 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.514 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.518 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -72.03 -69.84 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.604 -179.514 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.2 p -51.98 -33.63 38.83 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.56 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -81.84 -43.56 18.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.76 0.314 . . . . 0.0 111.244 -179.717 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.633 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 2.3 m-85 -134.58 101.22 12.03 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.228 -177.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -72.83 73.64 2.97 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.837 2.358 . . . . 0.0 111.236 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.518 ' HE ' ' HG2' ' A' ' 4' ' ' LYS . 15.3 mmm180 -118.71 179.77 4.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.338 0.59 . . . . 0.0 111.774 -178.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -105.16 -16.36 16.79 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.066 178.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.97 10.23 15.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.186 0.517 . . . . 0.0 110.305 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.633 ' SG ' ' HB2' ' A' ' 28' ' ' TYR . 45.9 t -100.44 98.32 8.96 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.789 179.254 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.501 HG23 ' N ' ' A' ' 35' ' ' CYS . 11.6 t -144.37 -146.69 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.284 -179.013 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.501 ' N ' HG23 ' A' ' 34' ' ' THR . 0.0 OUTLIER -96.86 130.51 44.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.167 0.508 . . . . 0.0 111.457 -179.101 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 25.2 t -133.27 125.65 29.75 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.488 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.418 ' HB2' ' HB3' ' A' ' 43' ' ' HIS . 28.8 t70 -143.02 156.19 44.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.737 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.3 -63.05 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.746 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.03 41.75 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.598 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.5 mtp -138.48 165.26 27.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.986 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -64.18 -29.42 70.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.132 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.02 141.81 32.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.555 0.693 . . . . 0.0 111.559 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.665 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 2.5 p80 -151.13 -176.33 5.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.767 -1.106 . . . . 0.0 108.57 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.599 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 91.3 p -153.9 -163.44 1.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.049 -0.66 . . . . 0.0 111.961 177.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.562 ' H ' ' HB ' ' A' ' 7' ' ' THR . 55.0 m -99.77 135.52 41.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.028 -179.521 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.769 ' HA ' ' HB2' ' A' ' 6' ' ' CYS . 15.9 t0 -117.33 51.71 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.821 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.539 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.4 OUTLIER -59.75 -24.57 64.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.351 179.404 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.455 ' HB2' ' HB2' ' A' ' 4' ' ' LYS . 2.7 tmtt? -140.58 135.65 32.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.676 -179.57 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.19 98.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.135 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.0 p . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.314 -0.851 . . . . 0.0 110.948 -179.715 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.821 0.343 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.8 tp -162.52 113.91 1.57 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 65.39 125.04 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.349 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.609 ' HG2' ' NE ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -110.37 -89.93 0.48 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.01 36.5 0.0 OUTLIER 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.564 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 19.6 p -45.64 111.65 0.37 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.19 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.882 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.7 OUTLIER 57.98 157.5 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.394 0.616 . . . . 0.0 112.409 179.488 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.1 mtp85 -101.37 31.22 3.81 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.24 17.66 6.13 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.194 -178.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 63.7 86.01 0.13 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.738 -0.231 . . . . 0.0 110.404 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.609 ' HD2' ' HE3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -154.06 51.19 0.66 Allowed 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -179.549 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.64 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 0.1 OUTLIER -112.1 156.03 22.9 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 178.142 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.419 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -148.33 155.48 41.34 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -178.111 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.521 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 97.31 60.9 0.94 Allowed Glycine 0 C--N 1.338 0.681 0 CA-C-N 115.289 -0.869 . . . . 0.0 112.942 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.521 ' C ' ' O ' ' A' ' 14' ' ' GLY . 0.6 OUTLIER 13.35 87.9 0.01 OUTLIER 'General case' 0 C--N 1.346 0.45 0 C-N-CA 123.171 0.588 . . . . 0.0 112.056 -179.556 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.3 t 52.35 62.11 2.86 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.354 0.597 . . . . 0.0 109.459 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.637 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -82.01 156.12 24.81 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.055 -179.004 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.416 HG22 ' N ' ' A' ' 19' ' ' LEU . 2.7 m -53.61 -70.08 0.1 Allowed 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.15 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.422 ' HA ' HD22 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -43.42 -24.24 0.09 Allowed 'General case' 0 CA--C 1.522 -0.122 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.63 179.889 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.637 ' H ' HG22 ' A' ' 17' ' ' THR . 2.1 tm-20 -76.16 -63.73 1.26 Allowed 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 120.936 0.398 . . . . 0.0 110.147 179.271 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -53.65 -28.61 34.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.242 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.42 -39.8 45.68 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.127 179.098 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.62 ' HE2' ' HG3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -52.16 -45.2 64.98 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.802 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.53 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 3.2 m -70.09 -37.06 75.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.91 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.522 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -75.01 -68.37 0.56 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -179.201 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.8 p -50.65 -42.09 56.1 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.612 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.9 mp -85.41 -40.3 16.6 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -178.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.509 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -111.65 96.62 33.39 Favored Pre-proline 0 CA--C 1.53 0.192 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.925 -178.829 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -74.83 72.87 4.4 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.289 1.993 . . . . 0.0 111.749 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.609 ' NE ' ' HG2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -115.91 -177.53 3.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.299 0.571 . . . . 0.0 112.182 -179.058 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.564 ' H ' ' HD2' ' A' ' 30' ' ' ARG . . . -112.38 -33.14 2.17 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.166 178.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.525 ' HG3' ' NH2' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -98.63 12.85 34.06 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.208 0.527 . . . . 0.0 110.056 179.084 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.561 ' O ' ' HB ' ' A' ' 34' ' ' THR . 20.0 t -101.17 147.06 26.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.308 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.561 ' HB ' ' O ' ' A' ' 33' ' ' CYS . 14.7 t 173.63 -140.43 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 O-C-N 123.287 0.367 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.545 ' N ' HG23 ' A' ' 34' ' ' THR . 0.0 OUTLIER -96.9 133.53 41.41 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.081 0.467 . . . . 0.0 111.294 -179.426 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.473 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.1 OUTLIER -141.81 118.94 11.33 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.802 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.44 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 26.7 t70 -129.18 156.39 44.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.808 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.8 m -99.85 -76.62 0.54 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.857 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -168.76 38.82 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.706 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 28.7 mtm -139.61 -172.86 3.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.797 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -80.38 -28.04 38.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.17 140.55 37.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.441 0.639 . . . . 0.0 111.515 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.64 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 5.4 p-80 -150.99 -172.14 4.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.968 -1.015 . . . . 0.0 108.979 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.56 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 78.8 p -154.27 -143.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 121.101 -0.24 . . . . 0.0 110.402 177.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.882 ' H ' HG22 ' A' ' 7' ' ' THR . 3.3 m -111.2 178.65 4.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.836 0.351 . . . . 0.0 111.395 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -150.53 40.02 0.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.053 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.517 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -56.52 -26.35 54.39 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.365 0.602 . . . . 0.0 110.042 179.303 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.595 ' HB3' ' SG ' ' A' ' 50' ' ' CYS . 8.6 tttm -130.5 150.87 51.52 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.749 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.31 77.33 0.16 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.556 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.595 ' SG ' ' HB3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.792 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.808 0.337 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.2 mt 57.24 33.71 23.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.155 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.7 mtp -61.91 166.46 4.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.67 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.572 ' HD2' ' HB2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -103.98 -172.14 2.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.922 0.392 . . . . 0.0 111.043 -179.844 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 5' ' ' ARG . 7.3 ptt180 -151.41 82.8 1.3 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.957 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.603 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 2.7 p -46.5 137.81 6.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.314 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.823 ' H ' ' HB2' ' A' ' 45' ' ' CYS . 0.4 OUTLIER 59.7 149.87 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.101 0 CA-C-O 121.415 0.626 . . . . 0.0 112.551 179.153 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.728 ' HD3' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.71 35.19 2.05 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.518 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.55 15.32 8.89 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 114.825 -1.079 . . . . 0.0 110.667 -178.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.439 ' HA ' ' CB ' ' A' ' 44' ' ' SER . 0.8 OUTLIER 60.09 82.06 0.16 Allowed 'General case' 0 C--O 1.231 0.121 0 CA-C-N 115.309 -0.446 . . . . 0.0 110.566 -179.622 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.67 49.87 0.87 Allowed 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -179.636 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.671 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 0.5 OUTLIER -109.02 155.12 21.28 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 177.907 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.15 155.77 42.42 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 -177.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.503 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 97.92 58.94 0.96 Allowed Glycine 0 C--N 1.339 0.703 0 CA-C-N 115.228 -0.896 . . . . 0.0 113.108 179.521 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.503 ' C ' ' O ' ' A' ' 14' ' ' GLY . 90.4 mttt 16.98 83.7 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 122.995 0.518 . . . . 0.0 111.999 -179.632 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.416 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.4 OUTLIER 53.32 59.96 4.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.592 -178.637 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.554 ' HB ' ' HG2' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -82.97 154.47 24.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.733 -179.794 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.557 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.3 m -52.55 -55.53 21.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.76 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.39 -23.77 2.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.434 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.554 ' HG2' ' HB ' ' A' ' 17' ' ' THR . 5.1 mm-40 -82.22 -49.16 10.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.595 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 18' ' ' THR . 12.3 pt-20 -63.48 -25.74 68.4 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 178.438 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.34 -43.65 40.05 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.693 178.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.553 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -50.9 -43.54 59.83 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 121.217 0.532 . . . . 0.0 109.692 178.894 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.584 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 17.8 m -64.71 -50.12 68.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.912 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.438 ' HE3' ' O ' ' A' ' 33' ' ' CYS . 0.8 OUTLIER -69.69 -68.41 0.41 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.258 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.44 ' OG1' HD23 ' A' ' 27' ' ' LEU . 62.6 p -45.87 -35.12 4.28 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.127 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.728 HD12 ' HD3' ' A' ' 8' ' ' ARG . 0.1 OUTLIER -85.1 -44.93 12.55 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.89 0.376 . . . . 0.0 110.41 -179.918 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.538 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -116.58 122.57 31.6 Favored Pre-proline 0 N--CA 1.462 0.15 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.402 -177.875 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -80.78 37.11 0.66 Allowed 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.326 2.017 . . . . 0.0 111.202 178.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.559 ' NE ' ' HB3' ' A' ' 4' ' ' LYS . 4.5 mpt_? -68.48 170.09 9.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.363 -178.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -117.23 -14.07 7.28 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.045 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -122.0 17.57 10.89 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 120.938 0.399 . . . . 0.0 110.437 179.46 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.584 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 17.0 t -99.69 153.77 18.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.269 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.488 HG23 ' N ' ' A' ' 35' ' ' CYS . 6.9 t 179.69 -152.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.077 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.488 ' N ' HG23 ' A' ' 34' ' ' THR . 0.9 OUTLIER -97.75 135.48 39.46 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.105 0.478 . . . . 0.0 111.362 -179.415 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.481 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 64.0 p -137.54 122.97 19.56 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.592 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -129.52 151.84 49.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.703 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.12 -81.66 0.46 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.848 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -159.91 48.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.742 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.5 mtp -147.55 -179.56 6.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.839 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -82.51 -4.4 57.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.583 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.81 141.78 51.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.399 0.618 . . . . 0.0 111.467 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.671 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.0 p-80 -150.83 -172.95 4.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.983 -1.008 . . . . 0.0 108.897 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.509 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 65.8 p -154.28 -143.3 0.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.726 177.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.823 ' HB2' ' H ' ' A' ' 7' ' ' THR . 58.6 m -105.12 173.44 6.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.906 0.384 . . . . 0.0 111.68 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -150.92 46.76 0.85 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.216 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.579 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -65.96 -21.95 66.45 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.305 0.574 . . . . 0.0 110.08 179.424 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.603 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 1.8 tmtt? -135.76 125.0 24.6 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.134 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.8 t -38.75 93.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.407 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.422 ' N ' ' O ' ' A' ' 48' ' ' LYS . 26.2 p . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.923 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 13.4 m120 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.784 0.326 . . . . 0.0 111.351 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.47 -25.26 66.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.872 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.2 mtt -162.84 -178.25 6.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.415 ' HG2' ' HG3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -138.93 162.34 35.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.605 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -132.97 104.91 6.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.18 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.716 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 1.7 p -50.57 123.72 9.38 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.232 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.493 ' HA ' ' NH1' ' A' ' 8' ' ' ARG . 0.6 OUTLIER 62.31 143.29 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.102 0 CA-C-O 121.35 0.595 . . . . 0.0 111.977 179.637 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.99 ' HD2' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.96 32.3 2.97 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 178.579 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.98 6.17 2.89 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 114.572 -1.195 . . . . 0.0 110.925 -178.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.3 t80 56.09 88.28 0.05 OUTLIER 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.482 -0.359 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.48 ' H ' ' HZ2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -163.12 57.98 0.19 Allowed 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -179.893 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.736 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -111.73 158.24 19.56 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 178.293 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.459 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -150.44 158.85 44.61 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -177.74 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.479 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 98.84 52.34 1.29 Allowed Glycine 0 C--N 1.34 0.778 0 CA-C-N 115.214 -0.903 . . . . 0.0 113.589 178.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 14' ' ' GLY . 1.6 mtmm 22.05 84.67 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 122.741 0.416 . . . . 0.0 111.678 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.9 t 53.63 55.78 8.11 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.257 0.551 . . . . 0.0 109.812 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.51 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -75.99 155.33 35.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.195 -179.283 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 m -55.26 -55.71 28.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.006 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -51.91 -23.48 5.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.863 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.527 ' HG3' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -74.89 -52.37 11.45 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.305 179.657 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.613 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 3.0 pt-20 -63.3 -34.83 78.53 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.52 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -71.21 -32.84 69.31 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.915 179.036 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.67 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -55.07 -64.93 0.68 Allowed 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.802 179.378 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.515 ' SG ' ' HB3' ' A' ' 33' ' ' CYS . 0.8 OUTLIER -68.56 -16.89 64.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.417 179.694 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.613 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -70.69 -72.73 0.19 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.814 0.34 . . . . 0.0 110.958 -179.536 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.5 p -57.49 -27.81 62.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.237 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.99 HD22 ' HD2' ' A' ' 8' ' ' ARG . 0.1 OUTLIER -81.0 -33.95 33.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.403 -179.78 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.6 ' CE2' ' HB3' ' A' ' 27' ' ' LEU . 4.7 m-85 -141.11 109.84 6.42 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.561 -178.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -83.48 51.43 3.54 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.809 2.339 . . . . 0.0 112.341 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.751 ' HD3' ' H ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -85.4 -157.66 0.33 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.402 -179.7 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.751 ' H ' ' HD3' ' A' ' 30' ' ' ARG . . . -125.08 -8.54 5.52 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 178.342 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -134.87 15.08 3.6 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.324 -0.438 . . . . 0.0 110.626 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.64 ' SG ' ' HB2' ' A' ' 30' ' ' ARG . 85.6 m -99.59 63.97 1.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.71 179.307 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.492 HG23 ' N ' ' A' ' 35' ' ' CYS . 8.9 t -115.15 -130.46 0.31 Allowed 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.662 -178.678 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.492 ' N ' HG23 ' A' ' 34' ' ' THR . 0.0 OUTLIER -98.83 146.23 26.15 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.967 0.413 . . . . 0.0 111.471 -179.298 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.513 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 10.6 t -149.85 106.82 3.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.344 179.508 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.518 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 29.9 t0 -115.19 162.71 16.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.554 -179.294 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.6 t -130.09 16.35 5.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.557 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 85.1 mttt 68.12 66.07 0.35 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.216 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.491 ' O ' ' HB3' ' A' ' 41' ' ' ASN . 8.4 mtp -150.5 17.22 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.78 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.491 ' HB3' ' O ' ' A' ' 40' ' ' MET . 40.3 t30 77.2 -41.15 0.37 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.572 -179.147 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -105.72 140.21 39.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.146 0.498 . . . . 0.0 110.449 178.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.601 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 6.7 p-80 -150.75 -171.14 3.85 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.603 -179.47 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.553 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 74.5 p -153.26 -149.15 0.28 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.238 177.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.591 ' HB3' HH22 ' A' ' 8' ' ' ARG . 0.0 OUTLIER -119.56 147.54 44.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.129 0.49 . . . . 0.0 112.032 -179.218 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -101.57 49.95 0.86 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.139 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.545 ' CB ' ' HA ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -49.45 -29.73 6.99 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.355 179.529 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.716 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 7.3 tttm -144.35 141.45 29.73 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.377 -1.283 . . . . 0.0 110.525 -179.4 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.7 t -56.21 93.54 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.736 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 27.0 p . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.908 -179.737 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.875 0.369 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.03 7.85 8.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.935 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 58.64 -94.41 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.032 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.635 ' HB3' ' NE ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -130.81 -177.76 4.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.739 179.895 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -145.02 86.32 1.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.143 -179.866 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.651 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 1.6 p -48.25 122.79 5.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 179.699 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.559 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.6 OUTLIER 59.54 147.21 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 121.124 0.488 . . . . 0.0 112.005 179.696 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.796 ' HD2' HD12 ' A' ' 27' ' ' LEU . 2.6 mtp-105 -99.46 29.71 3.89 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 178.241 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 130.74 14.83 1.83 Allowed Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 114.411 -1.268 . . . . 0.0 111.144 -178.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.3 t80 57.83 86.46 0.08 Allowed 'General case' 0 C--O 1.231 0.124 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -153.22 55.87 0.77 Allowed 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 -179.219 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.739 ' HG3' ' HE2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -111.96 150.97 29.79 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 177.674 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.4 ' H ' ' CD ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -146.7 154.76 41.8 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -177.603 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.498 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 104.89 45.65 1.36 Allowed Glycine 0 C--N 1.337 0.598 0 CA-C-N 115.171 -0.922 . . . . 0.0 113.28 179.162 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.475 ' N ' ' HE1' ' A' ' 43' ' ' HIS . 0.9 OUTLIER 31.51 82.17 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.72 0.295 . . . . 0.0 111.236 -179.882 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.458 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 49.71 53.82 12.1 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.353 0.597 . . . . 0.0 109.994 -178.591 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.573 ' HB ' ' HG2' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -74.18 155.7 38.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.101 -179.523 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.445 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -50.65 -59.94 3.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.544 179.466 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.426 ' N ' HG22 ' A' ' 18' ' ' THR . 0.2 OUTLIER -46.07 -37.97 7.4 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.227 -179.858 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.573 ' HG2' ' HB ' ' A' ' 17' ' ' THR . 5.8 mm-40 -65.79 -53.06 45.35 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.98 -179.386 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 18' ' ' THR . 8.8 pt-20 -59.76 -34.17 72.63 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 178.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.432 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -65.73 -41.8 91.79 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.34 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.739 ' HE2' ' HG3' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -53.49 -50.18 65.9 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 178.493 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.462 ' HA ' ' HD2' ' A' ' 28' ' ' TYR . 2.9 m -52.53 -38.77 60.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.034 179.116 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.86 -77.01 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.128 -179.343 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.7 p -45.92 -35.89 5.0 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.796 HD12 ' HD2' ' A' ' 8' ' ' ARG . 2.8 mm? -80.69 -42.01 22.72 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 111.387 -179.435 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.462 ' HD2' ' HA ' ' A' ' 24' ' ' CYS . 1.4 m-85 -129.22 110.82 18.09 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 -177.52 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -80.4 63.56 8.77 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.502 2.135 . . . . 0.0 111.962 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.635 ' NE ' ' HB3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -107.71 169.35 8.65 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.307 0.575 . . . . 0.0 112.09 -179.051 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -102.79 -16.03 22.89 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.88 178.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -115.27 14.52 16.88 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.007 0.432 . . . . 0.0 110.256 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.706 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 49.3 t -99.59 137.9 37.44 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.685 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.471 HG23 ' N ' ' A' ' 35' ' ' CYS . 6.0 t -171.75 -155.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.232 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.471 ' N ' HG23 ' A' ' 34' ' ' THR . 1.3 t -96.51 117.35 30.73 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.241 0.543 . . . . 0.0 111.543 -178.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.0 p -115.45 131.52 56.9 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.449 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -147.03 158.14 43.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.75 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.6 m -106.79 -66.95 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.674 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -174.26 47.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.79 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.5 mmm -141.34 163.26 33.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -63.56 -20.62 65.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.84 143.04 40.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.475 0.655 . . . . 0.0 111.467 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.654 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.1 p-80 -150.92 -172.94 4.34 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.824 -1.08 . . . . 0.0 108.673 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.599 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 73.9 p -154.13 -154.65 0.53 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.862 177.645 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.559 ' H ' HG22 ' A' ' 7' ' ' THR . 45.0 m -121.68 118.66 29.69 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.876 0.369 . . . . 0.0 111.263 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -99.55 71.2 1.72 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.971 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.706 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 1.6 m -69.93 -23.28 63.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.58 0.705 . . . . 0.0 109.367 178.442 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.651 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -128.13 135.22 49.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.22 179.735 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.6 t -55.24 87.96 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.761 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.402 ' N ' ' O ' ' A' ' 48' ' ' LYS . 7.7 p . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.943 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.861 0.363 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -99.21 138.52 36.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.82 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.701 ' HB3' ' HE2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -136.61 -82.86 0.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.755 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.703 ' HG2' ' HD2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -143.84 169.15 18.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.671 179.818 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.92 104.27 4.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.957 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.66 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 1.6 p -49.11 128.01 15.56 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.639 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.487 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.6 OUTLIER 60.45 135.84 0.01 OUTLIER 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.98 0.419 . . . . 0.0 111.386 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.552 ' NE ' ' HE2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -99.26 31.51 3.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.696 0.76 . . . . 0.0 109.136 178.667 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 136.72 5.7 1.9 Allowed Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 114.484 -1.235 . . . . 0.0 111.093 -179.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.4 t80 57.1 85.58 0.08 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.656 -0.272 . . . . 0.0 110.585 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.05 55.0 0.65 Allowed 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.639 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 0.4 OUTLIER -112.08 159.23 18.7 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 177.891 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.462 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -150.8 161.5 42.54 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -178.227 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.516 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 94.78 58.45 1.18 Allowed Glycine 0 C--N 1.339 0.713 0 CA-C-N 115.309 -0.859 . . . . 0.0 113.349 179.077 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.516 ' C ' ' O ' ' A' ' 14' ' ' GLY . 30.7 mttt 14.39 88.52 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.109 0.563 . . . . 0.0 112.053 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.1 t 52.56 58.72 5.09 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.336 0.588 . . . . 0.0 109.716 -178.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.692 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -79.22 155.94 28.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.539 -178.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.616 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.5 m -57.31 -57.21 13.61 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.476 ' HA ' HD22 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -51.58 -21.8 2.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.648 179.586 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.692 ' H ' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -77.66 -52.87 8.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.439 179.639 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.616 ' HG2' ' O ' ' A' ' 18' ' ' THR . 7.4 pt-20 -64.13 -30.31 71.39 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.311 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.35 -34.52 55.14 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.05 179.188 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.535 ' HG3' HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -52.53 -63.79 1.03 Allowed 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.661 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.58 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 1.1 m -51.91 -53.41 41.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.264 179.182 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.538 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -52.04 -40.98 61.91 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -178.748 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.51 -39.98 85.15 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -178.585 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.539 HD22 ' HD3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -83.69 -48.31 10.29 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.903 -179.206 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.552 ' HE2' ' NE ' ' A' ' 8' ' ' ARG . 1.7 m-85 -122.99 111.79 30.63 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.027 -179.013 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -81.25 44.37 1.73 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.619 2.213 . . . . 0.0 111.982 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.703 ' HD2' ' HG2' ' A' ' 4' ' ' LYS . 8.8 mmt180 -76.59 -175.49 3.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.869 -179.373 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -107.05 -13.94 20.17 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.257 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -121.96 12.03 10.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.235 0.54 . . . . 0.0 110.376 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.58 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 18.1 t -99.99 69.99 1.56 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.785 179.487 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.524 HG23 ' N ' ' A' ' 35' ' ' CYS . 12.3 t -122.57 -132.93 0.28 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.428 -178.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.524 ' N ' HG23 ' A' ' 34' ' ' THR . 0.0 OUTLIER -97.49 137.7 36.04 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.132 0.491 . . . . 0.0 111.302 -179.271 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.514 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.6 OUTLIER -145.85 112.14 5.78 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.496 179.816 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -123.87 156.06 36.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.95 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.4 m -100.21 -74.33 0.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.755 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.38 38.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.96 -173.59 3.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.814 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -82.48 -17.71 44.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.847 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.47 140.12 47.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.373 0.606 . . . . 0.0 111.579 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.639 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 7.7 p-80 -151.22 -172.51 4.23 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.93 -1.032 . . . . 0.0 108.937 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.596 ' HB2' ' HE2' ' A' ' 12' ' ' LYS . 77.8 p -153.91 -146.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.701 177.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.487 ' H ' HG22 ' A' ' 7' ' ' THR . 5.1 m -109.11 177.39 4.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.036 0.446 . . . . 0.0 111.55 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -149.5 47.2 0.96 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.853 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.516 ' HB3' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -58.82 -24.91 62.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.306 179.414 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.66 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -127.34 141.46 51.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.653 -179.679 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.16 91.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.962 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 25.7 p . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.945 -179.879 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 11.4 m120 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.727 0.299 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 mp 55.63 44.38 26.64 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.743 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 14.6 ptp -155.6 129.53 8.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.19 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.619 ' HE3' ' HG2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -149.05 122.11 8.85 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.988 179.841 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.619 ' HG2' ' HE3' ' A' ' 4' ' ' LYS . 7.2 ptt180 -59.56 102.24 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.462 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.539 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER -49.66 139.85 12.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.227 179.685 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.827 ' H ' ' HB2' ' A' ' 45' ' ' CYS . 0.6 OUTLIER 59.84 153.06 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.366 0.603 . . . . 0.0 112.352 179.237 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.543 ' H ' ' HZ3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -99.73 34.74 2.17 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.401 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.3 14.61 8.19 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.762 -178.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 60.78 84.15 0.13 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.527 -0.336 . . . . 0.0 110.489 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.71 53.1 0.59 Allowed 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.672 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -110.99 154.01 24.75 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 178.239 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -148.96 155.81 41.36 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -177.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.494 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 102.85 47.95 1.31 Allowed Glycine 0 C--N 1.338 0.663 0 CA-C-N 115.27 -0.877 . . . . 0.0 113.199 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.46 ' N ' ' HE1' ' A' ' 43' ' ' HIS . 1.8 mmtp 27.28 83.12 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.815 0.34 . . . . 0.0 111.525 -179.557 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.415 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 52.36 52.59 13.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.196 0.522 . . . . 0.0 110.504 -179.109 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.563 ' HB ' ' HG2' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -75.62 154.22 36.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.635 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.589 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -51.72 -55.43 19.67 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.659 179.557 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -50.24 -25.66 3.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.403 -179.698 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.563 ' HG2' ' HB ' ' A' ' 17' ' ' THR . 3.6 mm-40 -80.03 -49.45 11.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.486 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.589 ' HG2' ' HA ' ' A' ' 18' ' ' THR . 7.3 pt-20 -65.94 -23.01 66.53 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 178.653 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.24 -38.49 35.46 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.619 178.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.624 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -53.73 -51.0 64.72 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.53 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.569 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 3.3 m -67.99 -33.68 75.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.044 -0.98 . . . . 0.0 112.198 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.541 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -77.72 -72.25 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.08 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.424 ' OG1' HD12 ' A' ' 27' ' ' LEU . 81.9 p -48.14 -39.65 21.29 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -179.074 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.624 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.7 mp -85.49 -38.44 18.58 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.771 -179.193 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.542 ' OH ' ' HD2' ' A' ' 8' ' ' ARG . 0.2 OUTLIER -116.14 105.36 51.03 Favored Pre-proline 0 CA--C 1.529 0.164 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.399 -178.558 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -79.91 69.85 7.76 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.181 1.921 . . . . 0.0 111.153 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.437 ' HE ' ' HA ' ' A' ' 30' ' ' ARG . 1.6 mmp_? -109.45 -176.42 3.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.424 0.63 . . . . 0.0 112.293 -178.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -118.54 -24.88 3.03 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 114.986 -1.007 . . . . 0.0 111.27 179.07 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.72 12.73 24.01 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.085 0.469 . . . . 0.0 110.285 179.382 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.569 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 32.1 t -101.13 145.39 28.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.364 179.578 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.49 HG23 ' N ' ' A' ' 35' ' ' CYS . 12.2 t -179.28 -147.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.011 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.49 ' N ' HG23 ' A' ' 34' ' ' THR . 0.5 OUTLIER -97.95 139.79 33.26 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.977 0.418 . . . . 0.0 111.215 -179.567 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.458 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.6 OUTLIER -139.04 111.73 7.72 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.606 179.822 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.407 ' HA ' ' HB3' ' A' ' 43' ' ' HIS . 23.8 t70 -126.19 158.67 35.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.026 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.4 m -117.55 -80.97 0.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.703 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.86 60.88 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.735 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.465 ' O ' ' HB3' ' A' ' 41' ' ' ASN . 5.7 mtm -150.07 14.42 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.31 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.465 ' HB3' ' O ' ' A' ' 40' ' ' MET . 50.4 t30 74.93 -32.35 0.22 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.18 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.413 ' H ' ' C ' ' A' ' 40' ' ' MET . 0.1 OUTLIER -100.24 143.89 29.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.227 0.537 . . . . 0.0 110.886 179.397 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.672 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 2.8 p-80 -150.47 -174.77 4.86 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.367 -179.603 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.488 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 77.7 p -154.12 -146.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.976 -0.289 . . . . 0.0 110.455 177.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.827 ' HB2' ' H ' ' A' ' 7' ' ' THR . 34.5 m -104.34 171.54 7.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.02 0.438 . . . . 0.0 111.413 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -150.63 43.24 0.82 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.412 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.543 ' HB3' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -62.66 -23.77 67.28 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.323 0.582 . . . . 0.0 109.883 179.174 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.539 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -132.43 136.14 46.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.532 -179.879 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.5 94.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.118 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 20.7 p . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.941 -179.956 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 23.4 m120 . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.756 0.312 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 56.6 26.33 10.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.83 148.67 49.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.737 ' HG2' ' HD2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -123.98 -154.83 0.63 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.734 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.55 67.95 0.29 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.083 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.756 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 12.4 p -49.51 127.4 15.36 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.009 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.87 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.6 OUTLIER 59.76 153.93 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.303 0.573 . . . . 0.0 112.325 179.414 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.416 ' NH1' ' HD2' ' A' ' 23' ' ' LYS . 11.7 mtp-105 -103.43 29.73 5.45 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 178.229 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.38 17.72 4.31 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.007 -178.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.4 t80 61.49 93.26 0.05 OUTLIER 'General case' 0 C--O 1.231 0.118 0 CA-C-N 115.716 -0.242 . . . . 0.0 110.84 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.01 52.35 0.27 Allowed 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.815 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -112.75 157.56 21.17 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 177.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.475 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.1 OUTLIER -148.83 155.39 40.85 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -178.243 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.475 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 95.75 59.68 1.06 Allowed Glycine 0 C--N 1.341 0.858 0 CA-C-N 115.174 -0.921 . . . . 0.0 113.421 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.475 ' C ' ' O ' ' A' ' 14' ' ' GLY . 3.5 mttp 19.94 84.09 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 122.978 0.511 . . . . 0.0 111.932 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.669 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 49.3 55.76 8.85 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.551 0.691 . . . . 0.0 109.834 -178.516 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.55 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.6 OUTLIER -74.12 159.25 32.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.783 -1.099 . . . . 0.0 111.509 -179.103 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.585 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.1 m -57.12 -49.95 74.31 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.322 179.287 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.523 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 0.2 OUTLIER -54.86 -24.83 24.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.554 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.815 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -85.91 -41.23 15.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.623 179.267 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.585 ' HG2' ' HA ' ' A' ' 18' ' ' THR . 5.2 pt-20 -65.24 -34.19 77.78 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.089 179.71 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.625 ' HG3' ' H ' ' A' ' 23' ' ' LYS . 1.6 pp20? -72.07 -52.05 18.7 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 178.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.625 ' H ' ' HG3' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -38.77 -44.78 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.887 178.548 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 45.0 m -70.37 -45.54 65.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.244 -0.889 . . . . 0.0 112.718 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.483 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -72.31 -65.38 0.79 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.793 0.33 . . . . 0.0 111.83 -178.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.467 ' OG1' HD12 ' A' ' 27' ' ' LEU . 46.3 p -49.42 -44.45 45.36 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -179.115 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.613 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 6.2 mp -85.76 -40.4 16.12 Favored 'General case' 0 CA--C 1.528 0.121 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -178.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.515 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -111.4 114.13 53.21 Favored Pre-proline 0 CA--C 1.531 0.25 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.499 -178.337 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -89.03 89.76 0.4 Allowed 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 122.771 2.314 . . . . 0.0 111.541 178.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.737 ' HD2' ' HG2' ' A' ' 4' ' ' LYS . 0.7 OUTLIER -139.28 -178.89 5.57 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.348 0.594 . . . . 0.0 112.263 -178.773 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.23 -32.13 2.66 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.144 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.41 15.09 28.97 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.352 0.596 . . . . 0.0 109.813 179.061 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.521 ' HB2' ' HB3' ' A' ' 47' ' ' CYS . 35.0 t -103.11 137.23 41.56 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.256 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.447 HG23 ' N ' ' A' ' 35' ' ' CYS . 6.7 t -177.24 -155.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.146 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.447 ' N ' HG23 ' A' ' 34' ' ' THR . 2.7 p -96.48 128.33 43.31 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 121.259 0.552 . . . . 0.0 111.086 -179.306 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.436 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 4.5 t -137.68 126.54 24.03 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.341 -179.386 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.474 ' HA ' ' HB3' ' A' ' 43' ' ' HIS . 1.8 p30 -119.57 164.95 15.07 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.597 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.5 m -101.3 -72.75 0.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.694 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.36 37.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.448 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 14.3 mtt -140.57 -158.01 0.82 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.603 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -92.22 -27.04 17.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.043 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.22 141.62 35.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.518 0.675 . . . . 0.0 111.638 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.669 ' CE1' ' H ' ' A' ' 16' ' ' CYS . 2.5 p80 -151.35 -174.12 4.72 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.768 -1.106 . . . . 0.0 108.748 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.596 ' HB2' ' HE2' ' A' ' 12' ' ' LYS . 90.9 p -154.51 -143.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.132 177.697 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.87 ' H ' HG22 ' A' ' 7' ' ' THR . 0.1 OUTLIER -101.09 170.62 8.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.065 0.46 . . . . 0.0 111.99 -179.342 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -150.79 33.69 0.61 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.393 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.521 ' HB3' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -57.44 -25.17 59.23 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.383 0.611 . . . . 0.0 109.935 179.096 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.756 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -133.22 136.18 45.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.398 -179.799 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.06 94.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.066 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 48' ' ' LYS . 29.7 p . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.93 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.831 0.348 . . . . 0.0 111.28 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.3 -59.25 0.24 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.86 -81.5 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.673 ' HG2' ' HE ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -132.83 -36.16 1.06 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.859 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.416 ' HE ' ' HB2' ' A' ' 5' ' ' ARG . 7.1 ttm180 57.19 83.0 0.11 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.453 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 1.6 p -57.57 136.33 56.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.243 179.86 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.833 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.6 OUTLIER 58.5 165.67 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.3 0.571 . . . . 0.0 112.364 179.084 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.712 HH11 ' HD2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -107.58 23.56 14.26 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 177.976 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.21 20.25 2.5 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 114.142 -1.39 . . . . 0.0 110.926 -178.367 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.439 ' HD1' ' OG ' ' A' ' 44' ' ' SER . 51.7 t80 63.29 88.66 0.1 Allowed 'General case' 0 C--O 1.231 0.107 0 CA-C-N 115.601 -0.3 . . . . 0.0 110.449 -179.589 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.536 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -158.56 52.0 0.41 Allowed 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -179.611 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.794 ' HE2' ' HG2' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -111.98 150.5 30.48 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 177.398 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -142.86 153.27 43.0 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 -177.415 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.492 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 108.78 36.73 2.16 Favored Glycine 0 C--N 1.338 0.693 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.919 179.354 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.511 ' N ' ' CE1' ' A' ' 43' ' ' HIS . 5.5 mttt 33.96 86.24 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.008 0.432 . . . . 0.0 111.133 -179.028 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.421 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 49.28 55.62 9.06 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.249 -178.194 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.582 ' HB ' ' HG2' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -81.24 153.7 27.01 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.631 -179.831 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.563 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.9 m -52.0 -59.28 4.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.876 179.693 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.16 -22.92 1.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.523 -179.513 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.696 ' HB3' ' HB3' ' A' ' 12' ' ' LYS . 9.7 mm-40 -84.05 -48.14 10.21 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.861 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.563 ' HG2' ' HA ' ' A' ' 18' ' ' THR . 1.4 pt-20 -62.87 -29.64 70.9 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.878 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.459 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -78.07 -40.24 39.16 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.476 179.156 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.794 ' HG2' ' HE2' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -49.85 -56.9 8.67 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.746 0.784 . . . . 0.0 109.15 178.766 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.558 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -66.54 -29.8 69.96 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.756 -1.111 . . . . 0.0 111.236 179.588 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.548 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -72.13 -77.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.205 -0.452 . . . . 0.0 112.094 -179.522 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.9 p -48.98 -31.74 7.97 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.754 0.649 . . . . 0.0 112.754 -178.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.581 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 4.6 mp -85.41 -34.51 21.69 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.294 -179.503 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.64 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -120.32 106.08 40.99 Favored Pre-proline 0 CA--C 1.531 0.237 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.805 -179.236 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -82.82 90.05 1.08 Allowed 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.373 2.049 . . . . 0.0 112.058 179.451 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.673 ' HE ' ' HG2' ' A' ' 4' ' ' LYS . 4.5 mmt180 -141.51 -173.17 3.69 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.261 0.553 . . . . 0.0 111.996 -179.067 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -107.28 -49.95 0.84 Allowed Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.143 178.79 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.491 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 27.7 mm-40 -82.61 12.54 4.54 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.535 0.683 . . . . 0.0 109.505 178.687 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.64 ' SG ' ' HB2' ' A' ' 28' ' ' TYR . 12.4 t -105.02 116.96 32.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.803 -1.089 . . . . 0.0 110.499 -179.571 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.49 HG23 ' N ' ' A' ' 35' ' ' CYS . 14.0 t -167.37 -138.26 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.419 -179.571 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.49 ' N ' HG23 ' A' ' 34' ' ' THR . 13.6 t -98.17 137.35 37.07 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 121.826 -0.547 . . . . 0.0 111.314 -179.546 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.523 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -136.64 105.21 5.8 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.583 179.848 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.415 ' HB2' ' CG ' ' A' ' 43' ' ' HIS . 1.4 t70 -130.96 114.94 15.85 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.783 -179.914 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.2 t -150.74 14.27 0.74 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.924 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -110.28 -75.5 0.62 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.196 -179.641 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.3 ttm -150.42 -150.92 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.392 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -59.78 -19.67 51.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.712 179.488 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.22 140.63 37.56 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.39 0.614 . . . . 0.0 111.575 179.822 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.691 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 7.2 p-80 -151.2 -176.04 5.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.47 -179.76 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.608 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 90.2 p -154.88 -145.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 121.082 -0.247 . . . . 0.0 110.393 177.352 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.833 ' H ' HG22 ' A' ' 7' ' ' THR . 44.8 t -113.79 171.03 7.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.547 0.213 . . . . 0.0 110.791 179.53 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -150.38 48.17 0.89 Allowed 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -179.635 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.597 ' HB2' ' HB2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -59.88 -30.25 68.87 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.159 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.453 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -121.29 137.68 54.58 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.234 -1.348 . . . . 0.0 110.118 179.619 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.6 92.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.049 -179.829 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.415 ' N ' ' O ' ' A' ' 48' ' ' LYS . 31.8 p . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.885 -179.563 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 . . . . . 0 N--CA 1.485 1.281 0 CA-C-O 120.806 0.336 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.9 mt -103.83 94.39 5.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.415 ' H ' ' HG2' ' A' ' 3' ' ' MET . 0.0 OUTLIER -120.22 -167.96 1.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.847 179.959 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.878 ' HD2' ' HB2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -106.37 -106.93 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.883 -179.858 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.96 34.02 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.483 0.183 . . . . 0.0 111.168 -179.897 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.822 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 25.4 p -46.51 114.18 0.77 Allowed 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.377 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.74 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.4 OUTLIER 59.7 147.83 0.01 OUTLIER 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.416 0.627 . . . . 0.0 112.634 179.367 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.411 HH11 ' HB2' ' A' ' 8' ' ' ARG . 0.1 OUTLIER -99.57 33.3 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 177.716 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.17 38.44 4.31 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 110.074 -1.21 . . . . 0.0 110.074 -177.694 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.544 ' HE1' ' HA ' ' A' ' 43' ' ' HIS . 0.2 OUTLIER 65.03 81.44 0.21 Allowed 'General case' 0 CA--C 1.521 -0.14 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -178.154 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.525 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -130.99 41.87 3.3 Favored 'General case' 0 N--CA 1.457 -0.104 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 -177.699 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.839 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 3.3 mptt -132.47 154.86 49.48 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.292 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.456 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -151.82 157.0 41.33 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -178.534 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 95.2 56.22 1.3 Allowed Glycine 0 C--N 1.338 0.676 0 CA-C-N 115.619 -0.718 . . . . 0.0 113.481 179.088 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 14' ' ' GLY . 1.2 mttp 21.93 86.66 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 122.93 0.492 . . . . 0.0 111.835 179.896 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.564 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 51.29 64.35 1.88 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.401 0.619 . . . . 0.0 110.109 -178.655 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.566 ' H ' ' HE1' ' A' ' 43' ' ' HIS . 0.9 OUTLIER -83.08 153.09 25.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.008 -179.425 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.8 m -54.26 -56.93 13.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.874 0.368 . . . . 0.0 110.254 179.356 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -52.19 -20.61 2.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.904 -179.937 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.839 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -80.52 -50.41 10.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.388 179.68 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.712 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 3.4 pt-20 -61.0 -38.94 87.82 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.226 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.58 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -68.87 -41.15 78.79 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.293 179.174 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.506 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -49.8 -40.25 41.09 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.784 0.802 . . . . 0.0 108.953 178.718 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 61.0 m -72.3 -34.86 68.44 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 114.43 -1.259 . . . . 0.0 112.015 -179.832 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.712 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 9.6 mmpt? -73.96 -63.07 1.29 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.81 0.338 . . . . 0.0 111.761 -179.219 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.6 p -55.03 -43.68 73.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.487 -178.932 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.506 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 6.2 mp -86.02 -40.14 16.1 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -178.55 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.502 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.3 OUTLIER -112.36 112.29 51.97 Favored Pre-proline 0 CA--C 1.534 0.344 0 C-N-CA 120.671 -0.412 . . . . 0.0 112.077 -178.202 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -89.01 90.24 0.4 Allowed 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.695 2.263 . . . . 0.0 111.632 178.854 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.77 ' HD2' ' HG2' ' A' ' 4' ' ' LYS . 4.1 mmt180 -142.17 -174.28 4.06 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.404 0.621 . . . . 0.0 112.265 -178.916 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -113.27 -35.73 1.58 Allowed Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.046 178.692 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.434 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 0.6 OUTLIER -96.04 14.72 22.82 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.382 0.611 . . . . 0.0 109.65 178.788 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.693 ' HB2' ' HB2' ' A' ' 30' ' ' ARG . 15.4 t -99.66 133.05 44.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.097 179.896 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.52 HG23 ' N ' ' A' ' 35' ' ' CYS . 11.5 t -176.11 -144.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.123 -179.337 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.52 ' N ' HG23 ' A' ' 34' ' ' THR . 0.7 OUTLIER -97.58 135.68 39.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.134 0.493 . . . . 0.0 111.423 -179.323 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.516 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 3.2 t -141.71 123.45 15.18 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.089 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.441 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 19.5 t70 -125.05 155.89 39.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.749 179.901 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.12 -73.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.877 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.03 40.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.669 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.9 mtm -145.83 -179.13 6.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.0 t30 -72.63 -30.79 64.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 -179.86 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.78 140.22 34.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.332 0.587 . . . . 0.0 111.742 -179.769 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.631 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 4.8 p80 -150.58 -177.48 6.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.153 179.839 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.692 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 25.3 p -153.65 -142.97 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.4 178.108 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.74 ' H ' HG22 ' A' ' 7' ' ' THR . 0.1 OUTLIER -99.77 176.68 5.37 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -178.21 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.481 ' HB2' ' CB ' ' A' ' 36' ' ' SER . 4.5 t70 -151.83 25.45 0.65 Allowed 'General case' 0 C--O 1.231 0.109 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.145 179.569 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.471 ' HB3' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -54.26 -24.64 19.59 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.371 0.605 . . . . 0.0 109.976 179.415 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.878 ' HB2' ' HD2' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -133.86 128.97 35.74 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.377 -179.76 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.31 85.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.503 179.807 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 48' ' ' LYS . 6.8 p . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.959 -179.534 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.778 0.323 . . . . 0.0 111.341 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 mt -153.11 4.25 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.054 179.882 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.6 ttm -144.89 109.49 4.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.979 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.476 ' HG2' ' HB3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -122.99 -151.71 0.49 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.867 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -150.25 77.25 1.3 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.807 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.748 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 20.1 p -40.36 111.0 0.17 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.231 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.806 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.8 OUTLIER 62.02 150.16 0.02 OUTLIER 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.239 0.542 . . . . 0.0 111.691 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.641 ' H ' ' HZ3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -99.39 35.2 2.0 Allowed 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.752 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.76 18.48 6.93 Favored Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.969 -178.74 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.417 ' HA ' ' CB ' ' A' ' 44' ' ' SER . 1.1 t80 58.93 78.03 0.28 Allowed 'General case' 0 N--CA 1.457 -0.084 0 CA-C-N 115.668 -0.266 . . . . 0.0 110.336 -179.569 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.48 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -149.09 54.98 0.98 Allowed 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -179.266 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.699 ' HE3' ' HG2' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -112.46 157.47 21.05 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.35 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.411 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -145.7 158.82 43.81 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -178.398 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.533 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 92.27 64.07 1.13 Allowed Glycine 0 C--N 1.337 0.622 0 CA-C-N 115.344 -0.844 . . . . 0.0 112.827 179.739 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.533 ' C ' ' O ' ' A' ' 14' ' ' GLY . 14.1 mtmt 5.51 91.51 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.309 0.644 . . . . 0.0 112.087 -179.561 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.0 t 54.71 68.43 0.86 Allowed 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.532 -178.329 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.663 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.6 OUTLIER -93.34 158.15 15.88 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.213 -178.775 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.578 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 4.6 m -55.84 -71.89 0.08 Allowed 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.123 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.486 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -42.29 -23.72 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.722 -179.924 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.669 ' OE1' ' HB2' ' A' ' 35' ' ' CYS . 2.0 tm-20 -77.38 -64.5 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.266 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.578 ' HG2' ' O ' ' A' ' 18' ' ' THR . 8.7 pt-20 -52.16 -30.82 28.59 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.677 0.751 . . . . 0.0 109.007 178.41 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.37 -42.51 53.88 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.295 179.366 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.699 ' HG2' ' HE3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -45.6 -47.55 14.66 Favored 'General case' 0 CA--C 1.519 -0.235 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 178.57 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.599 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 2.9 m -59.86 -54.57 44.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.641 -1.163 . . . . 0.0 111.027 178.631 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.594 ' HE3' ' HB2' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -65.38 -78.78 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -179.19 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.451 ' OG1' HD12 ' A' ' 27' ' ' LEU . 73.7 p -34.71 -43.41 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -178.848 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.572 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.4 mp -86.01 -33.91 20.93 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.734 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.562 ' OH ' ' HD2' ' A' ' 8' ' ' ARG . 0.3 OUTLIER -121.84 132.39 24.25 Favored Pre-proline 0 CA--C 1.529 0.148 0 C-N-CA 120.418 -0.513 . . . . 0.0 112.001 -177.986 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -86.59 62.85 4.66 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.691 2.261 . . . . 0.0 110.174 177.589 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.856 ' HD2' ' HB3' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -84.23 -170.69 3.22 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -177.537 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -147.35 -27.68 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 114.061 -1.427 . . . . 0.0 111.031 179.204 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -112.68 19.51 17.38 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.084 0.469 . . . . 0.0 110.24 179.28 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.856 ' HB3' ' HD2' ' A' ' 30' ' ' ARG . 7.2 t -105.03 172.05 6.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.958 -179.745 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.624 ' HB ' ' O ' ' A' ' 33' ' ' CYS . 15.1 t 163.67 -142.95 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.346 0 O-C-N 123.892 0.745 . . . . 0.0 110.291 179.323 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.669 ' HB2' ' OE1' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -96.8 125.47 41.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.995 0.426 . . . . 0.0 110.641 -179.899 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.42 111.64 10.92 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.193 -179.701 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.483 ' HA ' ' HB3' ' A' ' 43' ' ' HIS . 0.9 OUTLIER -109.28 164.8 12.14 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.638 179.803 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 m -111.57 -75.45 0.61 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.4 30.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.634 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 9.9 mtp -141.84 178.87 7.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.766 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -71.78 -18.21 62.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.64 142.06 38.18 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.367 0.603 . . . . 0.0 111.411 179.749 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.622 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.9 p-80 -151.25 -170.1 3.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.187 -179.806 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.551 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 87.7 p -153.7 -148.03 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.964 177.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.806 ' H ' HG22 ' A' ' 7' ' ' THR . 57.8 m -105.0 178.72 4.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.001 0.429 . . . . 0.0 111.568 -179.49 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -150.44 44.56 0.87 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.848 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.407 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 1.8 m -65.3 -21.8 66.76 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 121.46 0.648 . . . . 0.0 110.524 179.628 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.748 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -135.2 152.68 51.8 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.625 -179.263 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.9 p -75.99 39.44 0.18 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.431 ' H ' ' C ' ' A' ' 48' ' ' LYS . 5.4 p . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.882 179.859 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.738 0.304 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 62.08 -87.65 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.05 -179.904 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.411 ' HG3' ' H ' ' A' ' 3' ' ' MET . 0.0 OUTLIER -87.97 -179.2 6.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.998 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.808 ' HD2' ' HB3' ' A' ' 28' ' ' TYR . 0.6 OUTLIER -142.84 148.69 37.49 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.409 179.883 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.651 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -102.94 86.73 2.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.996 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.727 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 16.5 p -50.87 141.93 12.53 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.84 179.776 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.777 ' H ' ' HB2' ' A' ' 45' ' ' CYS . 0.9 OUTLIER 61.0 149.9 0.02 OUTLIER 'General case' 0 C--O 1.231 0.087 0 CA-C-O 121.41 0.624 . . . . 0.0 112.192 179.665 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.784 ' HD2' HD12 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -99.88 32.51 2.88 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 178.466 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.6 18.69 8.8 Favored Glycine 0 N--CA 1.444 -0.806 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.554 -178.093 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.441 ' HA ' ' CB ' ' A' ' 44' ' ' SER . 0.4 OUTLIER 63.85 86.8 0.12 Allowed 'General case' 0 C--O 1.231 0.114 0 CA-C-N 115.383 -0.408 . . . . 0.0 110.458 -179.403 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.43 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -152.9 47.89 0.71 Allowed 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -179.527 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.67 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 1.8 mptt -110.31 154.49 23.41 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 177.758 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.401 ' H ' ' CD ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -149.97 154.99 39.16 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 -177.945 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.505 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 104.78 45.32 1.41 Allowed Glycine 0 C--N 1.336 0.556 0 CA-C-N 115.12 -0.945 . . . . 0.0 113.27 179.28 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.469 ' N ' ' HE1' ' A' ' 43' ' ' HIS . 0.0 OUTLIER 30.17 81.01 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 120.922 0.392 . . . . 0.0 111.173 -179.738 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.453 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 52.99 56.13 7.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.272 -178.623 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.568 ' HB ' ' HG2' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -78.83 153.77 30.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.756 -179.69 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.466 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -52.15 -54.79 26.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.758 179.631 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -51.1 -24.99 4.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.285 -179.718 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.568 ' HG2' ' HB ' ' A' ' 17' ' ' THR . 5.9 mm-40 -80.29 -47.9 13.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.691 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.53 ' HG3' ' N ' ' A' ' 22' ' ' GLU . 2.8 pt-20 -63.42 -35.08 79.23 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.793 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.53 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -66.33 -41.46 89.57 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.131 178.503 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.646 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -51.75 -65.64 0.52 Allowed 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.393 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.55 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 13.4 m -49.55 -28.76 5.94 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.608 -0.723 . . . . 0.0 112.272 179.688 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -73.52 0.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -179.619 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.5 p -59.06 -21.45 59.16 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -179.131 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.784 HD12 ' HD2' ' A' ' 8' ' ' ARG . 4.5 mm? -85.34 -43.32 13.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.777 0.322 . . . . 0.0 111.19 -179.839 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.808 ' HB3' ' HD2' ' A' ' 4' ' ' LYS . 1.5 m-85 -131.53 111.86 15.15 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.307 -178.246 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -80.92 59.93 7.67 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.52 2.147 . . . . 0.0 111.636 179.384 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.488 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -101.8 166.19 10.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.99 -178.945 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -95.85 -13.29 50.64 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 178.261 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -119.75 16.86 12.74 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.031 0.443 . . . . 0.0 110.277 179.404 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 33.7 t -99.69 131.76 45.48 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.335 179.724 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.515 HG23 ' N ' ' A' ' 35' ' ' CYS . 6.6 t -172.84 -150.89 0.05 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.977 -179.177 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.515 ' N ' HG23 ' A' ' 34' ' ' THR . 0.6 OUTLIER -97.19 125.59 41.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.074 0.464 . . . . 0.0 111.158 -179.449 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.431 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 14.3 t -126.81 130.76 50.88 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.744 179.83 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -147.27 165.1 31.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.685 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.7 t -109.19 -70.46 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.646 179.83 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -169.63 49.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.544 179.848 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.3 mtt -141.0 -176.44 4.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -82.18 -25.18 34.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.042 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.34 143.18 34.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.504 0.669 . . . . 0.0 111.97 -179.769 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.67 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 2.8 p-80 -150.97 -174.22 4.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.849 -1.069 . . . . 0.0 108.673 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.565 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 78.8 p -154.16 -137.39 0.07 Allowed 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.216 177.516 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.777 ' HB2' ' H ' ' A' ' 7' ' ' THR . 59.6 m -110.42 173.5 6.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.139 0.495 . . . . 0.0 112.031 -178.932 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -150.59 37.24 0.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.584 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -57.33 -23.35 48.25 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.724 179.829 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.727 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -142.34 164.38 30.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.249 -179.451 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.9 p -78.65 48.14 0.78 Allowed 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 114.53 -1.214 . . . . 0.0 110.996 -179.783 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.846 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.1 m120 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.83 0.348 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.4 tp -152.95 118.48 5.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.905 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -106.84 -63.56 1.27 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.758 ' HG2' ' HD2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -120.32 -163.94 1.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.876 -179.965 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.465 ' HB3' ' HE ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -153.61 93.73 1.71 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.116 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.534 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 1.3 p -51.77 124.61 12.88 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.936 179.767 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.92 ' HB ' ' H ' ' A' ' 45' ' ' CYS . 10.4 t 45.96 164.97 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 179.795 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.3 mtp85 -99.6 47.34 0.95 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.382 179.356 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.32 38.55 7.16 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 -178.438 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.555 ' HA ' ' CB ' ' A' ' 44' ' ' SER . 11.5 t80 65.35 94.72 0.06 Allowed 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.3 -0.45 . . . . 0.0 109.914 -179.145 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.516 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -148.24 51.75 1.02 Allowed 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -178.23 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.819 ' HD3' ' HA ' ' A' ' 44' ' ' SER . 0.0 OUTLIER -134.75 151.79 51.25 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.875 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.487 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.3 OUTLIER -151.01 154.6 37.37 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -178.449 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 100.27 53.29 1.09 Allowed Glycine 0 C--N 1.34 0.79 0 CA-C-N 115.85 -0.613 . . . . 0.0 113.626 179.168 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER 25.66 81.94 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.024 0.44 . . . . 0.0 111.775 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.59 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.6 OUTLIER 52.98 52.74 13.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.436 0.636 . . . . 0.0 109.943 -178.771 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.562 ' H ' ' HE1' ' A' ' 43' ' ' HIS . 0.8 OUTLIER -73.46 158.6 34.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.05 -179.549 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.537 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.3 m -53.71 -53.6 49.78 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.217 179.266 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.451 ' HA ' HD22 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -50.64 -23.24 2.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.099 179.925 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.686 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -79.35 -52.43 8.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.198 179.461 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 18' ' ' THR . 13.4 pt-20 -63.18 -24.06 67.71 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.64 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.13 -44.54 21.81 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.776 179.001 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.644 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -46.15 -43.6 15.17 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 121.551 0.691 . . . . 0.0 109.262 178.328 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.558 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 66.4 m -71.53 -45.04 63.47 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.669 -1.15 . . . . 0.0 112.878 -179.464 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.507 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -70.1 -60.24 2.41 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -178.323 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.8 p -61.59 -46.05 91.52 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -178.702 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.644 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 6.2 mp -86.07 -37.27 19.03 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -178.238 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.558 ' CD2' ' HA ' ' A' ' 24' ' ' CYS . 0.2 OUTLIER -115.74 78.78 7.2 Favored Pre-proline 0 CA--C 1.531 0.233 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.897 -177.733 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -58.29 90.58 0.06 OUTLIER 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.101 1.867 . . . . 0.0 111.727 179.273 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.758 ' HD2' ' HG2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -137.93 -174.54 3.81 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 121.492 0.663 . . . . 0.0 112.336 -178.912 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -115.79 -34.49 1.39 Allowed Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 114.881 -1.054 . . . . 0.0 111.189 178.818 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -100.02 14.81 29.34 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.365 0.602 . . . . 0.0 109.871 178.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.603 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 32.2 t -99.65 128.45 45.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.718 179.765 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.451 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 6.4 t -166.12 -154.73 0.2 Allowed 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.805 -178.942 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.547 ' HB2' ' HG3' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -96.21 135.35 38.14 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.344 0.592 . . . . 0.0 112.11 -178.287 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.2 t -146.42 123.81 11.65 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.539 179.78 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.24 154.5 20.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.163 -179.515 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.4 t -150.08 -37.41 0.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.606 179.845 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.508 ' HB3' ' H ' ' A' ' 40' ' ' MET . 5.3 mmtp -82.81 -133.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.722 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.508 ' H ' ' HB3' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -99.73 -104.79 0.22 Allowed 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 120.651 0.263 . . . . 0.0 110.653 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -82.4 -15.6 52.11 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.906 0.384 . . . . 0.0 110.421 179.557 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.49 ' HB ' ' CZ ' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -99.86 141.53 32.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.292 0.568 . . . . 0.0 111.092 179.626 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.59 ' CE1' ' H ' ' A' ' 16' ' ' CYS . 2.8 p80 -149.57 -176.33 5.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.192 -179.631 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.819 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 30.0 p -153.3 -158.98 0.93 Allowed 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.182 -0.607 . . . . 0.0 111.286 178.458 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.92 ' H ' ' HB ' ' A' ' 7' ' ' THR . 0.9 OUTLIER -99.66 167.31 10.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.146 0.498 . . . . 0.0 112.083 -178.638 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -150.43 41.47 0.8 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.961 179.697 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.603 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -54.56 -25.63 27.22 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.395 0.617 . . . . 0.0 109.965 179.353 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.534 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.9 OUTLIER -128.55 133.32 48.36 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.363 179.894 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.43 91.84 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.071 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 20.0 p . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.853 -179.734 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.68 0.276 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 mt 58.85 95.73 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.2 mmm -129.01 -34.11 1.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.809 179.881 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.948 ' HG3' ' HB3' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -115.84 -30.27 6.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.863 179.727 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.49 ' N ' ' HG2' ' A' ' 4' ' ' LYS . 38.0 ttm105 64.26 74.0 0.42 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.826 179.565 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.681 ' HA ' ' HB2' ' A' ' 47' ' ' CYS . 2.2 p -46.84 146.16 1.72 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.581 179.139 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.782 HG22 ' H ' ' A' ' 45' ' ' CYS . 1.0 OUTLIER 61.43 141.34 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.213 0.53 . . . . 0.0 111.816 179.935 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 1.033 ' HD3' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.37 45.78 0.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 179.042 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.11 11.75 15.36 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.187 -178.824 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.3 t80 57.76 79.91 0.19 Allowed 'General case' 0 C--O 1.232 0.151 0 N-CA-C 110.503 -0.184 . . . . 0.0 110.503 -179.885 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.82 55.4 0.84 Allowed 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -179.339 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.809 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 5.2 mptt -105.4 155.43 19.13 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.179 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.405 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -145.38 148.64 33.58 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.32 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 102.8 44.8 1.73 Allowed Glycine 0 C--N 1.338 0.64 0 CA-C-N 115.515 -0.766 . . . . 0.0 113.481 179.123 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.484 ' HE2' ' OD2' ' A' ' 37' ' ' ASP . 0.6 OUTLIER 30.64 87.14 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 122.777 0.431 . . . . 0.0 111.589 -179.629 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.557 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 49.56 48.74 21.02 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-O 121.582 0.706 . . . . 0.0 109.573 -178.564 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.537 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.6 OUTLIER -70.1 160.01 32.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.519 -179.092 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.577 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -55.73 -53.53 55.47 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.358 179.23 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -52.36 -25.88 10.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 -179.918 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.809 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -79.71 -46.97 16.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.526 179.68 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.678 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 7.5 pt-20 -64.58 -30.71 71.74 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 178.606 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.6 -45.08 69.41 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.894 -1.048 . . . . 0.0 109.421 178.58 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.709 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -50.32 -36.68 32.95 Favored 'General case' 0 C--O 1.219 -0.508 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.14 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.543 ' SG ' ' O ' ' A' ' 34' ' ' THR . 90.0 m -68.97 -37.86 79.04 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.123 -0.944 . . . . 0.0 112.305 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.678 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -81.63 -64.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 -179.107 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.1 p -51.86 -36.55 48.81 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -179.331 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.033 HD12 ' HD3' ' A' ' 8' ' ' ARG . 0.7 OUTLIER -82.83 -40.7 20.0 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.657 0.265 . . . . 0.0 111.526 -179.284 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.7 ' OH ' ' HD2' ' A' ' 8' ' ' ARG . 1.3 m-85 -129.51 134.24 26.01 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.785 -177.039 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -91.09 24.26 0.58 Allowed 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 122.921 2.414 . . . . 0.0 111.76 179.036 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.618 ' CB ' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -66.16 157.93 30.02 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -178.766 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -99.28 -19.42 21.07 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 109.396 -1.482 . . . . 0.0 109.396 177.05 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -102.85 19.08 20.01 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 114.634 -0.783 . . . . 0.0 109.507 178.77 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.618 ' HB2' ' CB ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -98.65 143.54 28.92 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.714 179.888 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.543 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 1.3 t -177.83 -169.13 0.2 Allowed 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.191 -179.115 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.444 ' N ' HG23 ' A' ' 34' ' ' THR . 1.4 p -96.04 133.17 40.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.119 0.485 . . . . 0.0 111.715 -178.682 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.558 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -139.46 127.38 22.18 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.333 -179.517 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.484 ' OD2' ' HE2' ' A' ' 15' ' ' LYS . 22.3 t70 -128.88 139.73 52.01 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.435 179.537 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.9 t -150.15 15.27 0.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.233 -179.762 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.419 ' HB3' ' H ' ' A' ' 40' ' ' MET . 0.0 OUTLIER -115.18 -100.87 0.43 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.372 -179.674 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.419 ' H ' ' HB3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -132.28 -86.22 0.47 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.917 0.389 . . . . 0.0 110.14 -179.871 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -110.42 -20.94 12.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.771 178.938 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -99.84 138.62 36.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.431 0.634 . . . . 0.0 111.072 179.634 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.603 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.6 p80 -150.98 -166.62 2.59 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.95 -1.023 . . . . 0.0 108.981 -179.218 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.566 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 88.6 p -154.18 -151.49 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.422 -0.511 . . . . 0.0 111.01 177.213 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.782 ' H ' HG22 ' A' ' 7' ' ' THR . 3.8 t -99.19 174.57 6.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.366 0.603 . . . . 0.0 112.176 -179.046 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.447 ' HB2' ' HB2' ' A' ' 36' ' ' SER . 12.4 t70 -142.54 37.95 1.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.692 179.316 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.948 ' HB3' ' HG3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -49.59 -27.33 4.38 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.163 179.385 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.642 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -126.1 -177.0 3.8 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.706 -179.6 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.629 ' H ' ' HE3' ' A' ' 48' ' ' LYS . 0.5 OUTLIER -80.42 49.29 1.13 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.834 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.852 -179.955 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 6.5 m120 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.891 0.376 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.52 10.22 41.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.735 179.915 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.85 -171.64 3.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.005 -179.877 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.655 ' HD3' ' N ' ' A' ' 5' ' ' ARG . 0.4 OUTLIER -153.7 147.79 25.67 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.445 179.99 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.655 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -105.37 104.87 14.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.038 0.446 . . . . 0.0 111.221 -179.64 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.623 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 7.2 p -50.48 145.43 6.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.919 -179.928 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.467 HG23 ' SG ' ' A' ' 6' ' ' CYS . 1.1 p 59.36 143.02 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 178.829 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.98 ' HD3' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.75 31.12 3.35 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 177.997 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.63 12.34 4.62 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 114.464 -1.244 . . . . 0.0 110.912 -178.529 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.2 t80 59.71 84.6 0.11 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.554 -0.323 . . . . 0.0 110.672 -179.737 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.02 60.34 0.47 Allowed 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -179.567 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.7 ' HE2' ' H ' ' A' ' 45' ' ' CYS . 0.4 OUTLIER -113.21 154.83 26.09 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 178.206 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.46 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -150.45 153.61 36.23 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -178.312 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.435 ' HA3' ' OG1' ' A' ' 17' ' ' THR . . . 104.02 44.46 1.62 Allowed Glycine 0 C--N 1.338 0.65 0 CA-C-N 115.419 -0.81 . . . . 0.0 113.624 178.948 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 14' ' ' GLY . 0.1 OUTLIER 30.59 84.49 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 122.502 0.321 . . . . 0.0 111.443 179.923 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.503 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 3.6 t 53.51 49.07 20.34 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.374 0.607 . . . . 0.0 109.727 -178.698 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.511 ' H ' ' HE1' ' A' ' 43' ' ' HIS . 0.7 OUTLIER -71.79 155.69 40.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.366 -179.217 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.584 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -53.39 -52.93 57.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.403 179.458 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.423 ' HA ' HD22 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -51.4 -29.2 14.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.737 -179.898 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.65 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -73.18 -49.78 26.19 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.432 179.772 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.616 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 4.9 pt-20 -65.7 -29.06 69.54 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.815 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.01 -36.88 72.61 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.066 178.518 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.657 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -55.21 -64.51 0.82 Allowed 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.454 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.683 ' SG ' ' HB3' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -49.83 -33.84 18.0 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.421 179.788 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.492 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -75.07 -83.63 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -178.878 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.5 p -47.29 -28.92 2.16 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.782 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.98 HD12 ' HD3' ' A' ' 8' ' ' ARG . 2.0 mm? -81.01 -38.1 28.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 111.058 -179.837 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.67 ' OH ' ' HD2' ' A' ' 8' ' ' ARG . 1.3 m-85 -135.2 117.1 12.37 Favored Pre-proline 0 N--CA 1.454 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.221 -177.791 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.523 ' O ' ' HD2' ' A' ' 30' ' ' ARG . 4.3 Cg_exo -78.18 85.48 1.81 Allowed 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.679 2.253 . . . . 0.0 111.842 179.533 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.552 ' HG3' ' SG ' ' A' ' 33' ' ' CYS . 18.4 mmm180 -132.3 -165.86 1.65 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.415 0.626 . . . . 0.0 112.001 -179.387 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -128.47 -26.92 0.93 Allowed Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 114.935 -1.03 . . . . 0.0 111.374 179.021 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -99.98 9.91 42.15 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.353 0.597 . . . . 0.0 110.241 179.231 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.683 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 84.4 m -101.9 136.85 41.03 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.099 179.678 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.511 HG23 ' N ' ' A' ' 35' ' ' CYS . 12.8 t -175.34 -132.68 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.749 -179.54 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.511 ' N ' HG23 ' A' ' 34' ' ' THR . 0.0 OUTLIER -98.99 140.56 32.96 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-O 121.056 0.455 . . . . 0.0 111.719 -179.147 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.468 ' CB ' ' HB2' ' A' ' 46' ' ' ASP . 6.3 t -141.6 105.36 4.72 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.428 179.401 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -110.6 154.2 24.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.85 -179.73 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.23 -75.97 0.58 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.933 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.0 tptm -169.31 30.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.597 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -141.75 176.53 8.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.955 -179.815 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -65.53 -31.32 72.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.169 -179.906 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.76 142.33 31.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.492 0.663 . . . . 0.0 111.388 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.599 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.3 p80 -150.68 -168.07 3.0 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.985 -1.007 . . . . 0.0 108.906 -179.835 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.61 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 45.4 p -152.68 -174.28 4.86 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.818 177.731 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.7 ' H ' ' HE2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -99.84 127.73 45.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.437 -179.174 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.612 ' HA ' ' HB2' ' A' ' 6' ' ' CYS . 6.6 t70 -99.49 61.33 1.18 Allowed 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.262 0.554 . . . . 0.0 110.379 179.5 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.459 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 2.0 t -49.93 -31.41 12.31 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.235 179.236 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.623 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -145.48 134.55 22.69 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.323 -1.308 . . . . 0.0 110.445 -179.735 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.29 94.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.345 -179.889 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.919 -179.805 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.643 0.258 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mt 61.11 -84.06 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.104 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.524 ' HA ' ' HE3' ' A' ' 4' ' ' LYS . 1.7 ptt? -62.22 155.61 24.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.606 ' HD3' ' HA3' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -94.87 -89.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.836 179.905 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.436 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 1.8 ptm180 179.99 47.48 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 111.38 0.141 . . . . 0.0 111.38 -179.94 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.726 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 30.4 p -41.01 112.73 0.32 Allowed 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.681 ' HA ' ' HH ' ' A' ' 28' ' ' TYR . 1.6 p 57.14 135.13 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.286 0.565 . . . . 0.0 112.324 179.472 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.758 ' HD2' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.89 29.81 4.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.615 0.722 . . . . 0.0 109.157 178.889 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 135.45 7.51 1.9 Allowed Glycine 0 N--CA 1.446 -0.684 0 CA-C-N 114.613 -1.176 . . . . 0.0 111.136 -179.136 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.4 t80 57.47 86.04 0.08 Allowed 'General case' 0 C--O 1.231 0.112 0 CA-C-N 115.785 -0.208 . . . . 0.0 110.584 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.482 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -157.56 57.76 0.5 Allowed 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -179.632 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.667 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -110.16 159.01 17.74 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 177.55 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.409 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -150.6 158.47 44.19 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 -178.303 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.469 ' HA3' ' OG1' ' A' ' 17' ' ' THR . . . 101.82 49.91 1.22 Allowed Glycine 0 C--N 1.34 0.769 0 CA-C-N 115.189 -0.914 . . . . 0.0 113.622 179.043 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 14' ' ' GLY . 10.9 mttt 23.29 83.8 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 122.828 0.451 . . . . 0.0 111.539 -179.914 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.624 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 23.1 t 54.85 55.19 8.09 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.306 0.574 . . . . 0.0 109.89 -178.408 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.624 ' H ' ' HE1' ' A' ' 43' ' ' HIS . 0.9 OUTLIER -77.13 151.54 35.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.028 -179.351 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.575 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -55.19 -52.91 61.84 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.088 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.475 ' HA ' HD22 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -53.02 -22.39 5.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.832 179.795 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.667 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -79.85 -49.45 11.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.254 179.51 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.658 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 5.4 pt-20 -63.7 -27.99 69.59 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 178.526 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.06 -34.17 43.96 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 114.684 -1.144 . . . . 0.0 110.356 179.313 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.739 ' HD2' ' HE ' ' A' ' 8' ' ' ARG . 2.4 ttpt -60.46 -35.39 75.76 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.238 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.566 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 2.6 m -78.24 -37.68 44.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.103 -179.587 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.545 ' HE3' ' O ' ' A' ' 33' ' ' CYS . 0.6 OUTLIER -77.03 -31.87 56.62 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.104 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.464 ' OG1' HD23 ' A' ' 27' ' ' LEU . 68.4 p -85.46 -37.6 19.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.674 -179.6 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.758 HD12 ' HD2' ' A' ' 8' ' ' ARG . 0.1 OUTLIER -85.19 -43.51 13.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.152 0.501 . . . . 0.0 110.41 -179.899 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.681 ' HH ' ' HA ' ' A' ' 7' ' ' THR . 0.2 OUTLIER -110.1 161.57 23.88 Favored Pre-proline 0 C--N 1.333 -0.143 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.561 -177.915 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.434 ' HD2' ' HB3' ' A' ' 4' ' ' LYS . 52.7 Cg_endo -74.81 -67.35 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 122.104 1.869 . . . . 0.0 113.235 -179.754 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.556 ' O ' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -178.73 -135.96 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.935 0.398 . . . . 0.0 111.47 -178.548 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.606 ' HA3' ' HD3' ' A' ' 4' ' ' LYS . . . 69.6 76.79 0.47 Allowed Glycine 0 C--N 1.336 0.579 0 N-CA-C 111.612 -0.595 . . . . 0.0 111.612 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 58.4 24.7 12.02 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -178.597 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.566 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 7.6 t -98.98 125.45 44.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.591 -179.411 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.469 HG23 ' N ' ' A' ' 35' ' ' CYS . 9.9 t 177.35 -131.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.17 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.478 ' HA ' ' OE2' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -98.05 129.25 44.9 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.955 -0.465 . . . . 0.0 110.77 179.959 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.501 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.1 OUTLIER -144.71 120.0 10.22 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.024 -179.717 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.514 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 24.9 t0 -135.05 155.51 50.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.629 179.919 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.6 t -99.92 -68.78 0.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.798 179.763 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.6 46.87 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.671 179.838 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.4 mtp -149.96 161.8 41.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.923 -179.825 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -59.52 -30.73 68.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.48 139.45 35.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.312 0.577 . . . . 0.0 111.399 179.863 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.647 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 4.1 p80 -151.04 -173.04 4.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.466 -179.732 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.534 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 91.6 p -154.09 -148.79 0.26 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 177.524 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.581 ' H ' HG22 ' A' ' 7' ' ' THR . 2.4 m -108.46 174.44 5.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.745 0.307 . . . . 0.0 111.411 -179.873 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -142.59 39.3 1.53 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.287 -179.8 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.67 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -57.9 -22.05 46.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.6 0.714 . . . . 0.0 110.508 179.223 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.726 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -146.44 142.53 28.23 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.661 -179.288 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.45 87.23 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.848 -179.91 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 27.5 p . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.806 -179.756 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.76 0.314 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 mp -131.36 115.56 16.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.945 -179.901 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.634 ' HB3' ' HE3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -131.01 131.33 44.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.767 179.932 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.68 ' HD3' ' HA3' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -111.56 -87.71 0.53 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.915 179.922 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.499 ' HD3' ' HD3' ' A' ' 29' ' ' PRO . 6.1 ptm180 -179.74 44.82 0.0 OUTLIER 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.544 0.211 . . . . 0.0 111.191 -179.801 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.692 ' HA ' ' SG ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -44.0 135.31 4.26 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.71 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.559 HG23 ' SG ' ' A' ' 6' ' ' CYS . 12.0 p 56.31 130.04 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 178.944 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.754 ' HD3' HD12 ' A' ' 27' ' ' LEU . 11.1 ttt-85 -101.15 31.26 3.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.293 -0.867 . . . . 0.0 108.67 178.258 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.2 5.99 4.98 Favored Glycine 0 N--CA 1.444 -0.778 0 CA-C-N 114.439 -1.255 . . . . 0.0 110.428 -178.29 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.499 ' CZ ' HG21 ' A' ' 7' ' ' THR . 2.7 m-85 61.52 76.19 0.38 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.298 -0.451 . . . . 0.0 110.86 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.585 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -156.39 76.71 0.91 Allowed 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 -179.636 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.809 ' HG3' ' HE2' ' A' ' 23' ' ' LYS . 9.1 mptt -124.79 146.99 48.95 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 177.648 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.433 ' H ' ' CD ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -145.3 156.08 43.59 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -177.744 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.468 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 105.9 37.21 2.59 Favored Glycine 0 C--N 1.337 0.625 0 CA-C-N 115.295 -0.866 . . . . 0.0 113.137 179.468 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.517 ' N ' ' CE1' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 35.84 85.6 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.85 0.357 . . . . 0.0 111.243 -179.421 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.415 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 50.53 51.97 15.78 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.438 0.637 . . . . 0.0 109.927 -178.61 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.577 ' HB ' ' HG2' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -77.12 154.98 32.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.098 -0.956 . . . . 0.0 111.014 -179.543 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.593 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 2.9 m -53.23 -56.61 15.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.824 179.538 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -49.73 -26.09 3.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.048 -179.83 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.636 ' HB3' ' HB3' ' A' ' 12' ' ' LYS . 5.0 mm-40 -81.86 -49.26 10.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.455 179.815 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.593 ' HG2' ' HA ' ' A' ' 18' ' ' THR . 5.4 pt-20 -60.42 -24.98 65.6 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.08 -1.082 . . . . 0.0 108.08 178.128 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.16 -53.88 9.88 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 114.613 -1.176 . . . . 0.0 109.048 178.291 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.809 ' HE2' ' HG3' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -42.61 -37.89 1.83 Allowed 'General case' 0 C--O 1.224 -0.27 0 CA-C-O 121.204 0.526 . . . . 0.0 110.177 178.573 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.594 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 2.8 m -72.34 -43.88 63.44 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -179.455 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.437 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -80.4 -50.85 9.55 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -178.485 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 p -69.25 -39.04 78.7 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.944 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.754 HD12 ' HD3' ' A' ' 8' ' ' ARG . 0.1 OUTLIER -85.59 -42.65 14.17 Favored 'General case' 0 C--O 1.231 0.1 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.746 -179.268 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.594 ' CD2' ' HA ' ' A' ' 24' ' ' CYS . 0.2 OUTLIER -110.53 158.55 35.14 Favored Pre-proline 0 N--CA 1.461 0.113 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.418 -178.002 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.63 ' HG2' ' HB3' ' A' ' 4' ' ' LYS . 44.2 Cg_endo -71.15 -70.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.099 1.866 . . . . 0.0 112.791 179.809 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.483 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -179.29 -136.86 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.866 0.365 . . . . 0.0 111.377 -178.965 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.68 ' HA3' ' HD3' ' A' ' 4' ' ' LYS . . . 72.24 79.34 0.45 Allowed Glycine 0 C--N 1.337 0.594 0 N-CA-C 111.516 -0.634 . . . . 0.0 111.516 -179.914 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 57.53 24.18 10.04 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 -178.572 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.503 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 8.7 t -98.71 126.29 44.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.825 -179.286 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.41 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 14.6 t -179.27 -150.5 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.113 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.403 ' N ' HG23 ' A' ' 34' ' ' THR . 0.7 OUTLIER -97.81 123.01 41.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.137 0.494 . . . . 0.0 110.907 -179.656 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.564 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 22.8 t -142.95 130.68 21.44 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.372 -179.237 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -127.14 144.29 51.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.318 179.64 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.03 3.92 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.253 -179.664 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.52 -82.3 0.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.346 -179.704 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.0 -148.67 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.438 -179.619 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -51.73 -19.96 1.88 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.163 179.839 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.8 140.2 34.35 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.4 0.619 . . . . 0.0 111.5 179.895 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.692 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 6.7 p-80 -151.12 -173.59 4.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.801 -179.642 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.613 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 88.0 p -154.88 -153.96 0.48 Allowed 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.07 -0.252 . . . . 0.0 110.622 177.852 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.456 ' SG ' ' HE2' ' A' ' 12' ' ' LYS . 3.0 m -116.13 146.21 42.44 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.52 179.438 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -115.63 48.11 1.25 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.844 0.354 . . . . 0.0 111.487 -179.393 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.692 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -63.07 -22.82 67.12 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-O 121.743 0.782 . . . . 0.0 110.274 179.148 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.634 ' HE3' ' HB3' ' A' ' 3' ' ' MET . 3.0 tmtt? -150.6 151.91 33.28 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.03 -179.093 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 t -68.06 76.77 0.23 Allowed 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.661 179.59 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.138 -0.934 . . . . 0.0 110.964 -179.803 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.5 t30 . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.754 0.312 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.418 HD23 ' H ' ' A' ' 3' ' ' MET . 0.0 OUTLIER -132.29 -155.55 0.69 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.958 -179.877 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.566 ' O ' ' HG2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER 58.91 86.85 0.08 Allowed 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.995 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.744 ' HA ' ' HG2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -116.58 82.7 1.83 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.346 179.842 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -65.06 107.67 1.6 Allowed 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -178.739 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.79 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 7.5 p -62.8 134.93 57.0 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.966 179.325 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.5 p 57.33 139.88 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 178.368 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.778 ' HD2' ' HB3' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -104.88 25.12 10.85 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.844 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 141.58 -1.17 1.79 Allowed Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 114.203 -1.362 . . . . 0.0 110.694 -178.495 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.413 ' HA ' ' HZ2' ' A' ' 12' ' ' LYS . 2.0 t80 57.52 84.43 0.1 Allowed 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.475 -0.362 . . . . 0.0 111.054 179.947 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.848 ' HD3' ' HE2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -166.55 57.5 0.09 Allowed 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 179.875 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.691 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 3.8 mptt -99.77 155.52 17.59 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 177.672 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.405 ' H ' ' CD ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -150.31 156.63 41.89 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -177.839 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.475 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 110.89 37.09 1.75 Allowed Glycine 0 C--N 1.337 0.636 0 CA-C-N 115.51 -0.768 . . . . 0.0 113.176 179.25 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.476 ' N ' ' HE1' ' A' ' 43' ' ' HIS . 0.0 OUTLIER 32.35 82.04 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.803 0.335 . . . . 0.0 111.155 -179.564 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.405 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 1.9 t 56.31 53.43 8.82 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.26 0.552 . . . . 0.0 110.13 -178.712 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.581 ' HB ' ' HG2' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -83.22 151.49 25.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.672 -179.761 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.628 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 2.7 m -51.69 -57.67 8.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.758 179.648 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.32 -26.33 1.23 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.406 -179.789 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.581 ' HG2' ' HB ' ' A' ' 17' ' ' THR . 4.1 mm-40 -81.32 -51.99 7.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.658 179.82 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.628 ' HG2' ' O ' ' A' ' 18' ' ' THR . 9.8 pt-20 -57.86 -27.07 62.91 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 178.03 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.61 -54.3 10.87 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 114.426 -1.261 . . . . 0.0 109.295 178.5 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.848 ' HE2' ' HD3' ' A' ' 11' ' ' ARG . 26.7 tttp -42.68 -34.5 0.91 Allowed 'General case' 0 CA--C 1.522 -0.101 0 CA-C-O 121.607 0.717 . . . . 0.0 109.595 178.444 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.635 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 3.9 m -67.95 -54.29 19.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.961 179.77 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.464 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -75.83 -56.11 4.98 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.907 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.8 p -56.76 -48.6 77.49 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -179.064 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.778 ' HB3' ' HD2' ' A' ' 8' ' ' ARG . 0.7 OUTLIER -85.9 -40.89 15.45 Favored 'General case' 0 C--O 1.231 0.104 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -178.677 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.635 ' CD2' ' HA ' ' A' ' 24' ' ' CYS . 0.3 OUTLIER -109.83 156.24 40.18 Favored Pre-proline 0 C--N 1.333 -0.134 0 CA-C-O 120.925 0.393 . . . . 0.0 111.73 -176.855 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.744 ' HG2' ' HA ' ' A' ' 4' ' ' LYS . 17.3 Cg_exo -67.78 -74.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.762 2.308 . . . . 0.0 112.755 179.877 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.6 ' H ' ' HB3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -178.17 -135.15 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 121.06 0.457 . . . . 0.0 112.221 -178.763 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.72 69.11 1.46 Allowed Glycine 0 C--N 1.334 0.455 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -179.348 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 62.82 29.19 16.65 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 -177.934 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.555 ' HB3' ' HA ' ' A' ' 30' ' ' ARG . 18.6 t -97.71 117.41 31.95 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.25 -179.433 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.489 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 13.5 t -177.43 -140.46 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.714 -179.667 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.462 ' N ' HG23 ' A' ' 34' ' ' THR . 0.0 OUTLIER -96.25 122.92 39.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 121.695 -0.628 . . . . 0.0 111.257 -179.584 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.4 t -137.67 119.16 14.84 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.139 179.822 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.444 ' CG ' ' HB3' ' A' ' 43' ' ' HIS . 7.5 t0 -129.85 138.77 51.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.973 -179.587 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.43 0.79 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.804 179.878 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -108.87 -85.05 0.54 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.221 -179.77 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.0 ttm -143.84 -145.77 0.18 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.697 -179.757 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -58.11 -15.13 8.41 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.428 -179.827 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.52 141.57 32.14 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.311 0.577 . . . . 0.0 111.266 179.73 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.691 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.3 p-80 -150.8 -176.53 5.56 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.378 -179.712 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.454 ' HB2' ' NZ ' ' A' ' 12' ' ' LYS . 59.5 p -153.79 -154.14 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 177.894 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 2.8 m -123.75 132.94 53.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.665 0.269 . . . . 0.0 110.765 179.885 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -99.98 56.14 0.95 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.073 0.463 . . . . 0.0 111.2 -179.67 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.772 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 0.8 OUTLIER -62.06 -17.75 58.5 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.172 179.788 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.79 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 1.8 mttt -147.64 159.24 43.99 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.681 -179.238 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.8 74.83 0.61 Allowed 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.661 179.843 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.9 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.7 mtm105 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.363 0.125 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.807 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 25.1 p -45.93 115.71 1.04 Allowed 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.642 0.258 . . . . 0.0 111.173 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.828 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.6 OUTLIER 58.19 161.13 0.03 OUTLIER 'General case' 0 C--O 1.231 0.104 0 CA-C-O 121.334 0.588 . . . . 0.0 111.976 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.57 ' H ' ' NZ ' ' A' ' 12' ' ' LYS . 7.8 mtp85 -107.62 30.65 6.09 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.33 18.77 5.29 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.165 -178.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 62.29 90.61 0.07 Allowed 'General case' 0 C--O 1.231 0.107 0 CA-C-N 115.679 -0.261 . . . . 0.0 110.529 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.497 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -159.85 53.78 0.36 Allowed 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -179.674 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.839 ' HE3' ' HG2' ' A' ' 23' ' ' LYS . 8.7 mptt -114.4 158.43 21.54 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.413 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -150.24 156.1 40.94 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -178.465 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.497 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 100.53 49.68 1.38 Allowed Glycine 0 C--N 1.338 0.674 0 CA-C-N 115.22 -0.9 . . . . 0.0 113.583 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.496 ' N ' ' HE1' ' A' ' 43' ' ' HIS . 0.9 OUTLIER 29.19 82.94 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.497 0.319 . . . . 0.0 111.475 -179.889 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.416 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 49.55 51.15 16.97 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.428 0.632 . . . . 0.0 109.921 -178.738 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.546 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -67.63 154.67 40.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.185 -179.474 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.555 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.1 m -54.6 -51.83 64.1 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.14 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.468 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -54.7 -25.47 27.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.39 179.759 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.697 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -78.3 -45.89 21.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.225 179.454 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.593 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 2.4 pt-20 -67.84 -25.84 65.75 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 178.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.96 -36.16 49.47 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.603 178.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.839 ' HG2' ' HE3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -56.77 -48.0 78.85 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.678 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.702 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 3.9 m -69.23 -33.78 73.81 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.096 -0.956 . . . . 0.0 112.307 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.503 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -80.3 -69.15 0.61 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -178.864 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.57 ' OG1' HD12 ' A' ' 27' ' ' LEU . 23.4 p -50.68 -40.7 54.44 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -179.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.639 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.6 mp -85.56 -38.94 17.93 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 120.591 -0.443 . . . . 0.0 112.014 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.51 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -113.05 112.16 50.17 Favored Pre-proline 0 CA--C 1.53 0.199 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.431 -178.591 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -82.5 67.43 7.97 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.554 2.169 . . . . 0.0 111.49 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.699 ' HD3' ' H ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -108.93 169.69 8.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.339 0.59 . . . . 0.0 112.09 -178.88 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.699 ' H ' ' HD3' ' A' ' 30' ' ' ARG . . . -108.17 -19.57 8.89 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.944 178.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -112.36 15.55 20.27 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.222 0.534 . . . . 0.0 110.167 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.702 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 12.0 t -99.75 150.79 21.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.402 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.494 HG23 ' N ' ' A' ' 35' ' ' CYS . 6.9 t 177.76 -152.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.985 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.494 ' N ' HG23 ' A' ' 34' ' ' THR . 0.8 OUTLIER -98.01 129.39 44.88 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-O 120.987 0.422 . . . . 0.0 110.658 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.592 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 3.1 p -136.57 125.49 24.21 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.299 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.449 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 26.0 t70 -135.04 159.3 41.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.454 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.89 -74.57 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.712 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -168.96 43.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.687 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 34.9 mtt -139.77 -168.83 2.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.86 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -88.04 -18.29 29.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.953 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -115.08 141.35 48.12 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.434 0.635 . . . . 0.0 111.672 179.881 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.621 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 5.0 p-80 -151.51 -171.28 3.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.274 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.526 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 93.2 p -154.32 -151.23 0.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.979 177.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.828 ' H ' HG22 ' A' ' 7' ' ' THR . 22.0 m -100.08 175.53 5.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.889 0.376 . . . . 0.0 111.757 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -150.69 36.58 0.64 Allowed 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.607 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.592 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -59.85 -24.04 63.89 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 121.302 0.572 . . . . 0.0 110.036 179.193 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.807 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.2 OUTLIER -139.46 129.48 25.03 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.522 -179.611 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.8 t -51.05 90.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.666 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.408 ' N ' ' O ' ' A' ' 48' ' ' LYS . 20.7 p . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.858 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.828 0.347 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.762 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 5.4 p -49.58 132.06 21.24 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.949 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.723 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.2 OUTLIER 58.7 157.25 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.287 0.565 . . . . 0.0 112.227 179.477 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.406 ' H ' ' NZ ' ' A' ' 12' ' ' LYS . 0.7 OUTLIER -100.25 32.55 2.96 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.524 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.32 20.62 6.95 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.021 -178.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.435 ' HD1' ' OG ' ' A' ' 44' ' ' SER . 70.1 t80 63.44 91.69 0.07 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.609 -0.295 . . . . 0.0 110.687 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -161.58 50.6 0.23 Allowed 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.731 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -113.0 157.35 21.63 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 178.088 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.425 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -150.02 155.72 40.41 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -178.188 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.51 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 103.1 46.22 1.49 Allowed Glycine 0 C--N 1.338 0.677 0 CA-C-N 115.231 -0.895 . . . . 0.0 113.442 179.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.51 ' N ' ' CE1' ' A' ' 43' ' ' HIS . 0.0 OUTLIER 31.23 83.14 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.511 0.324 . . . . 0.0 111.168 -179.662 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.401 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 49.42 50.91 17.34 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 121.514 0.673 . . . . 0.0 109.517 -178.479 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.603 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -69.07 156.8 38.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.378 -179.092 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.518 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.1 m -55.25 -53.32 57.59 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.128 179.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -53.21 -25.99 16.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.608 179.837 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.731 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -79.27 -46.38 17.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.516 179.698 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.614 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 4.7 pt-20 -66.07 -26.15 67.36 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.62 -40.38 34.57 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.875 179.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.617 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -52.33 -45.81 65.8 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 121.359 0.6 . . . . 0.0 109.77 178.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.622 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 11.0 m -66.34 -51.25 59.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.541 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.12 -65.61 0.7 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -178.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.523 ' OG1' HD12 ' A' ' 27' ' ' LEU . 26.6 p -47.53 -43.74 25.17 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -178.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.617 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.1 mp -85.29 -38.73 18.5 Favored 'General case' 0 C--O 1.231 0.113 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.726 -179.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.496 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -112.72 113.29 50.34 Favored Pre-proline 0 C--N 1.331 -0.21 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.994 -178.765 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -78.42 65.15 8.57 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.615 2.21 . . . . 0.0 111.109 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.625 ' HG3' ' HB3' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -104.28 170.65 7.78 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.373 0.606 . . . . 0.0 112.167 -178.799 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.543 ' H ' ' HD3' ' A' ' 30' ' ' ARG . . . -117.13 -17.17 5.88 Favored Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.089 -0.959 . . . . 0.0 111.013 178.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.475 ' HG2' HH11 ' A' ' 30' ' ' ARG . 0.3 OUTLIER -112.73 12.19 19.6 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.117 0.484 . . . . 0.0 110.29 179.411 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.622 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 9.3 t -99.83 158.34 15.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.249 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.522 ' HB ' ' O ' ' A' ' 33' ' ' CYS . 9.3 t 175.83 -152.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.718 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.454 ' N ' HG23 ' A' ' 34' ' ' THR . 1.4 p -97.73 124.84 42.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.186 0.517 . . . . 0.0 110.793 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.596 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 12.1 p -129.05 124.63 35.37 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.299 -179.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -134.98 156.96 48.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.279 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.63 -72.6 0.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.947 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.5 pttm -168.5 43.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.705 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 54.7 mtm -143.52 -179.4 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -78.17 -18.98 54.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.045 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.96 140.88 47.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.45 0.643 . . . . 0.0 111.739 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.607 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 4.7 p-80 -151.57 -171.52 3.96 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.076 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.537 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 82.0 p -153.99 -149.66 0.29 Allowed 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.957 177.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.723 ' H ' HG22 ' A' ' 7' ' ' THR . 58.6 m -99.77 175.92 5.63 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.024 0.44 . . . . 0.0 111.613 -179.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -151.05 39.39 0.68 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.611 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.625 ' HB3' ' HG3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -59.45 -23.93 63.11 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.295 0.569 . . . . 0.0 110.0 179.249 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.762 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.4 OUTLIER -135.69 133.33 37.99 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.363 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.6 t -43.35 93.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.09 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' A' ' 48' ' ' LYS . 29.6 p . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.891 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.3 ttt-85 . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.788 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 2.0 p -47.47 129.8 13.42 Favored 'General case' 0 N--CA 1.461 0.1 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.16 178.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.749 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.6 OUTLIER 58.61 168.87 0.06 Allowed 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.238 0.542 . . . . 0.0 111.509 -179.775 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.481 ' NH1' ' HD2' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -109.22 34.32 3.81 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.733 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.07 21.15 7.54 Favored Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.265 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.406 ' HD1' ' OG ' ' A' ' 44' ' ' SER . 71.6 t80 64.03 91.51 0.07 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.671 -0.265 . . . . 0.0 110.542 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.452 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -161.82 51.43 0.22 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.809 ' HG3' ' HE2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -112.66 157.54 21.12 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 177.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.41 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.3 OUTLIER -149.94 156.41 41.69 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -177.837 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.496 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 102.02 50.06 1.19 Allowed Glycine 0 C--N 1.339 0.695 0 CA-C-N 115.238 -0.892 . . . . 0.0 113.445 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 14' ' ' GLY . 12.1 mttt 23.27 82.9 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 122.774 0.43 . . . . 0.0 111.366 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 53.81 57.25 6.21 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.515 0.674 . . . . 0.0 109.651 -178.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.637 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -76.79 157.6 31.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.404 -179.059 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.58 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -55.8 -57.56 11.5 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.94 178.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.447 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -52.28 -22.76 4.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.608 179.769 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.637 ' H ' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -77.78 -51.06 11.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.448 179.717 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.58 ' HG2' ' O ' ' A' ' 18' ' ' THR . 5.7 pt-20 -64.92 -26.73 68.43 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.02 -36.13 41.6 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.062 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.809 ' HE2' ' HG3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -55.97 -47.37 77.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.4 0.619 . . . . 0.0 109.426 178.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.683 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 3.6 m -69.43 -37.95 77.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.091 -0.958 . . . . 0.0 112.422 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.49 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -76.92 -67.67 0.68 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -178.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.555 ' OG1' HD12 ' A' ' 27' ' ' LEU . 30.8 p -51.31 -41.34 60.44 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -178.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.627 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.9 mp -85.36 -39.11 17.99 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.828 -179.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.515 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.3 OUTLIER -111.82 111.3 54.09 Favored Pre-proline 0 CA--C 1.529 0.173 0 C-N-CA 120.879 -0.329 . . . . 0.0 111.302 -178.599 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -80.44 65.76 8.88 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.431 2.087 . . . . 0.0 111.554 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.429 ' CB ' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -109.42 166.07 11.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.25 0.547 . . . . 0.0 112.146 -178.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -106.85 -17.92 11.3 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.907 178.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -112.62 15.06 20.15 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.061 0.458 . . . . 0.0 110.255 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.683 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 15.3 t -99.71 154.02 18.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.27 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.53 ' HB ' ' O ' ' A' ' 33' ' ' CYS . 7.3 t 175.22 -151.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.771 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.499 ' N ' HG23 ' A' ' 34' ' ' THR . 0.6 OUTLIER -97.54 131.68 43.92 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.984 0.421 . . . . 0.0 111.026 -179.828 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.452 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 30.7 t -134.57 125.59 27.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.78 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.408 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 23.4 t0 -135.14 156.39 49.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.821 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.8 t -103.65 -71.21 0.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -169.61 40.87 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.757 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.0 mtt -143.65 159.6 42.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -57.04 -27.53 61.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.16 141.53 34.85 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.419 0.628 . . . . 0.0 111.641 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.628 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 4.3 p-80 -151.21 -173.0 4.36 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.032 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.532 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 96.5 p -153.63 -152.96 0.44 Allowed 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.778 177.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.749 ' H ' HG22 ' A' ' 7' ' ' THR . 28.8 m -99.8 174.63 6.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.068 0.461 . . . . 0.0 111.979 -179.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -151.08 49.63 0.84 Allowed 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.306 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.551 ' HB3' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -73.29 -21.42 60.59 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 121.381 0.61 . . . . 0.0 109.765 179.14 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.788 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 2.0 tmtt? -131.5 132.97 44.63 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.155 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 t -48.11 89.1 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.629 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 48' ' ' LYS . 28.3 p . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.222 -0.894 . . . . 0.0 111.05 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.682 0.277 . . . . 0.0 111.451 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.571 ' HA ' ' SG ' ' A' ' 47' ' ' CYS . 27.1 p -44.67 135.71 4.79 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.05 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.883 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.6 OUTLIER 57.43 173.57 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.27 0.557 . . . . 0.0 112.228 179.253 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.594 ' HD3' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -115.17 27.99 9.0 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.079 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.0 16.23 3.65 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 114.516 -1.22 . . . . 0.0 110.977 -178.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.1 t80 64.26 92.72 0.07 Allowed 'General case' 0 C--O 1.231 0.107 0 CA-C-N 115.639 -0.28 . . . . 0.0 110.742 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.498 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -162.02 51.96 0.22 Allowed 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -179.834 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.737 ' HE3' ' HG2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -111.67 155.26 23.7 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 177.81 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.403 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -150.26 155.97 40.69 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 -177.779 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.502 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 104.73 46.28 1.31 Allowed Glycine 0 C--N 1.338 0.65 0 CA-C-N 115.267 -0.879 . . . . 0.0 113.403 179.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.49 ' N ' ' HE1' ' A' ' 43' ' ' HIS . 2.7 mttt 30.31 84.16 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 122.56 0.344 . . . . 0.0 111.311 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER 50.65 51.42 16.96 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-O 121.535 0.684 . . . . 0.0 109.701 -178.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.58 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -71.25 155.75 40.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.131 -179.234 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.561 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.5 m -53.99 -56.6 16.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.966 179.19 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.457 ' HA ' HD22 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -50.22 -25.15 3.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.962 179.872 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.676 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -77.46 -51.58 10.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.587 179.798 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.597 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 9.3 pt-20 -64.59 -28.03 69.35 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.69 -35.33 57.96 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.851 179.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.737 ' HG2' ' HE3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -56.37 -51.16 69.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.419 0.628 . . . . 0.0 109.328 178.822 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.468 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 2.8 m -68.44 -31.08 70.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.088 -0.96 . . . . 0.0 112.191 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.523 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -81.15 -71.45 0.47 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.038 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.492 ' OG1' HD12 ' A' ' 27' ' ' LEU . 47.8 p -47.79 -39.78 19.11 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -179.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.6 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.5 mp -85.52 -37.95 19.09 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 120.683 -0.407 . . . . 0.0 112.069 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.512 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -114.28 115.39 45.03 Favored Pre-proline 0 CA--C 1.529 0.157 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.277 -178.72 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -83.82 65.38 7.29 Favored 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.448 2.099 . . . . 0.0 111.095 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.576 ' HD3' ' H ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -114.54 179.06 4.06 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.404 0.621 . . . . 0.0 112.417 -178.53 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.576 ' H ' ' HD3' ' A' ' 30' ' ' ARG . . . -119.05 -34.51 1.03 Allowed Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.272 178.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.52 11.24 27.05 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.296 0.57 . . . . 0.0 109.986 179.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.523 ' HB2' ' HB3' ' A' ' 47' ' ' CYS . 36.5 t -105.89 148.13 27.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.367 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.493 HG23 ' N ' ' A' ' 35' ' ' CYS . 13.2 t 178.21 -146.23 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.97 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.493 ' N ' HG23 ' A' ' 34' ' ' THR . 0.2 OUTLIER -97.39 139.79 32.82 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.092 0.472 . . . . 0.0 111.297 -179.484 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -141.0 109.11 5.76 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.589 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.493 ' HA ' ' HB3' ' A' ' 43' ' ' HIS . 2.4 p-10 -115.83 165.27 13.27 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.201 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 p -110.05 -87.59 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.775 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.85 59.72 0.03 OUTLIER 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.931 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -148.01 -85.66 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -169.58 -33.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.414 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -99.54 140.38 33.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.276 0.56 . . . . 0.0 111.044 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.652 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 5.9 p-80 -150.79 -176.94 5.71 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.343 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.612 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 94.1 p -153.62 -155.13 0.57 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.098 178.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.883 ' H ' HG22 ' A' ' 7' ' ' THR . 9.7 m -99.45 171.2 8.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.91 0.386 . . . . 0.0 111.63 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -150.62 47.9 0.88 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.241 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.571 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -60.96 -26.68 67.72 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 121.415 0.626 . . . . 0.0 109.909 179.062 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.562 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -141.87 124.87 16.21 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.461 179.798 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 t -34.72 96.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.74 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.726 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.744 0.307 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.81 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 11.1 p -55.92 121.0 8.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.488 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.64 HG22 ' H ' ' A' ' 45' ' ' CYS . 1.1 p 63.68 128.81 0.01 OUTLIER 'General case' 0 C--O 1.23 0.069 0 CA-C-O 121.18 0.514 . . . . 0.0 111.259 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 1.005 ' HD2' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.01 36.39 1.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.303 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 127.22 5.92 5.46 Favored Glycine 0 N--CA 1.444 -0.803 0 CA-C-N 114.748 -1.115 . . . . 0.0 110.973 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.41 ' HD1' ' HB3' ' A' ' 44' ' ' SER . 19.3 t80 56.53 88.88 0.05 OUTLIER 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 115.655 -0.272 . . . . 0.0 110.345 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.509 HH11 ' HB3' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -163.83 52.75 0.15 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -179.745 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.72 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -109.04 157.45 18.69 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 176.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.453 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.5 OUTLIER -150.51 159.14 44.7 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -177.572 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.477 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 102.96 44.81 1.7 Allowed Glycine 0 C--N 1.336 0.577 0 CA-C-N 115.223 -0.899 . . . . 0.0 113.596 178.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.458 ' N ' ' CE1' ' A' ' 43' ' ' HIS . 1.5 mttt 27.06 84.02 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 122.573 0.349 . . . . 0.0 111.413 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t 55.19 51.36 13.36 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.385 0.612 . . . . 0.0 109.789 -178.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.52 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -76.57 153.91 34.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.278 -179.31 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.51 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -54.32 -52.79 60.4 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.076 179.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -50.21 -26.74 4.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.853 179.801 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.605 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -78.34 -50.86 11.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.489 179.766 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.567 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 4.5 pt-20 -63.85 -23.31 67.3 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.17 -36.69 24.52 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.073 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.496 ' HG2' ' NH2' ' A' ' 8' ' ' ARG . 0.1 OUTLIER -53.67 -43.19 68.66 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.345 0.593 . . . . 0.0 109.501 178.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.2 m -76.66 -42.35 42.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.139 -0.937 . . . . 0.0 112.171 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.537 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -65.85 -28.11 68.73 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 -178.562 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.2 p -85.65 -34.27 21.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.735 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.005 HD22 ' HD2' ' A' ' 8' ' ' ARG . 0.5 OUTLIER -85.15 -46.49 11.05 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -178.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.613 ' HE2' HH11 ' A' ' 8' ' ' ARG . 1.4 m-85 -133.16 112.84 13.32 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.458 -178.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 28' ' ' TYR . 2.3 Cg_endo -79.87 69.6 7.87 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.799 2.332 . . . . 0.0 111.635 179.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.663 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 11.6 mmm180 -110.8 -172.09 1.96 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.492 -179.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -105.72 -29.11 5.12 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.394 179.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.438 ' C ' ' HA ' ' A' ' 47' ' ' CYS . 2.4 mt-30 -105.31 9.47 33.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.295 0.569 . . . . 0.0 110.332 179.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.663 ' HB2' ' HB2' ' A' ' 30' ' ' ARG . 4.6 t -99.72 74.76 1.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.842 179.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.477 HG23 ' N ' ' A' ' 35' ' ' CYS . 8.9 t -131.81 -132.63 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.116 -178.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.477 ' N ' HG23 ' A' ' 34' ' ' THR . 0.0 OUTLIER -98.17 131.71 44.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.03 0.443 . . . . 0.0 111.064 -179.764 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.2 t -137.68 111.84 8.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.775 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.479 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 38.8 t70 -129.75 158.54 39.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.881 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.5 t -105.82 -67.67 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.831 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.73 47.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.44 -177.79 5.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.805 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -79.12 -31.68 44.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.732 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -99.84 143.73 29.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.355 0.598 . . . . 0.0 111.443 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.627 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 2.8 p-80 -151.22 -178.47 6.66 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.374 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.532 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 80.4 p -152.43 -150.15 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.937 177.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.64 ' H ' HG22 ' A' ' 7' ' ' THR . 0.1 OUTLIER -101.95 176.15 5.3 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -178.511 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -150.94 30.28 0.64 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.249 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.606 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -50.23 -27.49 6.07 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.477 0.656 . . . . 0.0 110.268 179.564 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.81 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -133.77 138.59 45.82 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.655 -179.746 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.25 94.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.971 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 28.1 p . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.879 -179.832 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.844 0.355 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.862 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 19.0 p -51.3 139.89 18.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.896 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.919 ' H ' ' HB2' ' A' ' 45' ' ' CYS . 0.4 OUTLIER 53.14 -172.16 0.04 OUTLIER 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 121.421 0.629 . . . . 0.0 111.675 179.6 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.746 ' HD2' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -145.35 32.54 1.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.243 -0.889 . . . . 0.0 108.797 179.257 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.81 8.62 5.13 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 114.543 -1.208 . . . . 0.0 110.652 -178.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.2 t80 56.38 85.83 0.07 Allowed 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.486 -0.357 . . . . 0.0 110.421 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.485 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -154.51 51.51 0.64 Allowed 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -179.658 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.892 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 5.0 mptt -111.08 159.06 18.15 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 178.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.71 156.49 41.42 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -178.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.504 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 100.37 52.02 1.18 Allowed Glycine 0 C--N 1.338 0.674 0 CA-C-N 115.214 -0.903 . . . . 0.0 113.616 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.496 ' N ' ' HE1' ' A' ' 43' ' ' HIS . 0.2 OUTLIER 26.81 82.27 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.898 0.349 . . . . 0.0 111.604 -179.667 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.414 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 49.91 52.15 15.2 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.311 0.577 . . . . 0.0 110.114 -178.896 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.568 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -70.99 151.45 44.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.263 -0.881 . . . . 0.0 111.266 -179.558 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.521 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.0 OUTLIER -50.56 -51.2 50.27 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 120.891 0.377 . . . . 0.0 110.145 179.3 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.0 tt -48.71 -44.69 38.38 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.415 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.892 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -65.56 -44.59 86.3 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.267 -179.543 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.621 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 5.5 pt-20 -67.48 -23.21 65.46 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.106 0.479 . . . . 0.0 109.808 179.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.53 -41.28 24.48 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.298 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.701 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -50.57 -49.37 56.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.579 178.863 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.438 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 4.7 m -66.94 -44.47 80.56 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.067 -0.969 . . . . 0.0 111.507 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.562 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -61.08 -72.06 0.13 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.879 -179.057 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.6 p -48.5 -38.43 20.15 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.746 HD22 ' HD2' ' A' ' 8' ' ' ARG . 0.1 OUTLIER -77.76 -33.84 52.6 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.304 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 27' ' ' LEU . 3.5 m-85 -140.86 110.24 6.61 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.206 -178.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -79.44 47.03 2.38 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.614 2.209 . . . . 0.0 111.983 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.517 ' HB2' ' CB ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -81.94 -177.98 6.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.606 -179.5 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -105.56 -11.28 29.28 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.124 178.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.16 13.99 6.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.011 0.434 . . . . 0.0 110.67 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.541 ' HB2' ' HB3' ' A' ' 47' ' ' CYS . 34.8 t -99.87 65.1 1.29 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.959 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.521 HG23 ' N ' ' A' ' 35' ' ' CYS . 14.6 t -111.78 -141.57 0.38 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.895 -179.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.521 ' N ' HG23 ' A' ' 34' ' ' THR . 0.8 OUTLIER -98.53 129.46 45.09 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.09 0.471 . . . . 0.0 111.252 -179.53 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.542 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.4 OUTLIER -135.87 122.34 20.7 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.676 -179.808 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.474 ' HA ' ' HB3' ' A' ' 43' ' ' HIS . 19.2 t0 -121.34 150.98 40.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.289 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.536 ' O ' ' HB2' ' A' ' 39' ' ' LYS . 14.9 t -99.85 24.08 8.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.263 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.536 ' HB2' ' O ' ' A' ' 38' ' ' SER . 0.1 OUTLIER 74.87 40.69 0.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.735 -179.43 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.9 mmt -138.33 172.57 12.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.444 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 40.9 t-20 -64.67 -32.56 74.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.572 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.53 141.96 39.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.474 0.654 . . . . 0.0 111.296 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.635 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 4.6 p-80 -151.36 -171.49 3.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.967 -1.015 . . . . 0.0 108.994 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.515 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 69.4 p -154.37 -145.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.709 177.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.919 ' HB2' ' H ' ' A' ' 7' ' ' THR . 26.7 m -103.37 178.59 4.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.033 0.444 . . . . 0.0 111.782 -179.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -150.23 37.01 0.68 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.828 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.541 ' HB3' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -57.8 -23.49 52.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.283 179.491 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.862 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -131.13 135.12 47.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.543 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.4 t -52.11 94.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.875 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 24.4 p . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.879 -179.802 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.711 0.291 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.451 ' SG ' HG23 ' A' ' 7' ' ' THR . 1.1 p -46.34 134.62 8.76 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.276 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.811 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.2 OUTLIER 56.16 170.14 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.333 0.587 . . . . 0.0 112.316 179.469 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.415 ' HD2' ' OH ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -117.97 28.43 8.41 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.315 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.58 18.04 2.78 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 114.62 -1.173 . . . . 0.0 111.296 -178.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 50.7 t80 59.93 95.81 0.03 OUTLIER 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.521 0.2 . . . . 0.0 110.713 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.489 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -164.85 53.28 0.12 Allowed 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 179.893 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.882 ' HE3' ' HG2' ' A' ' 23' ' ' LYS . 8.8 mptt -113.2 157.14 22.09 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 177.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.406 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.1 OUTLIER -149.81 154.69 38.83 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -178.187 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.509 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 102.57 47.21 1.42 Allowed Glycine 0 C--N 1.339 0.718 0 CA-C-N 115.15 -0.932 . . . . 0.0 113.5 179.218 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.514 ' N ' ' CE1' ' A' ' 43' ' ' HIS . 0.2 OUTLIER 31.6 83.81 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 122.449 0.3 . . . . 0.0 111.381 -179.79 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.487 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . 0.5 OUTLIER 47.92 49.67 16.67 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.619 0.723 . . . . 0.0 109.573 -178.446 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.574 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.6 OUTLIER -66.77 158.56 30.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.722 -1.126 . . . . 0.0 111.55 -179.184 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.519 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -55.63 -52.41 63.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.987 179.128 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -54.81 -22.69 15.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.393 179.713 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.617 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -80.54 -46.47 15.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.354 179.642 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.582 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 4.9 pt-20 -69.36 -24.5 63.9 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.87 -34.14 45.17 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.481 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.882 ' HG2' ' HE3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -59.1 -49.66 77.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.557 178.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.615 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 3.7 m -69.81 -32.01 70.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.316 -0.856 . . . . 0.0 112.196 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.529 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -80.21 -67.14 0.79 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.862 0.363 . . . . 0.0 111.847 -179.097 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.472 ' OG1' HD12 ' A' ' 27' ' ' LEU . 32.7 p -51.65 -38.79 56.42 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.557 0.576 . . . . 0.0 112.557 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.63 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.5 mp -85.34 -35.48 21.4 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.693 -179.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.497 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -116.63 115.07 39.66 Favored Pre-proline 0 C--N 1.332 -0.191 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.052 -179.148 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -82.45 52.35 4.07 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.268 1.978 . . . . 0.0 111.044 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -92.82 -177.13 4.44 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.657 0.741 . . . . 0.0 112.649 -178.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.7 -24.89 1.31 Allowed Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.761 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.78 13.33 33.21 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.171 0.51 . . . . 0.0 109.78 178.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.615 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 12.8 t -104.75 155.29 19.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.376 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.516 ' HB ' ' O ' ' A' ' 33' ' ' CYS . 9.7 t 176.47 -150.99 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.024 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.478 ' N ' HG23 ' A' ' 34' ' ' THR . 0.8 OUTLIER -98.15 130.81 44.9 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.105 0.479 . . . . 0.0 110.829 -179.601 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.579 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 67.2 m -135.96 122.51 20.83 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.267 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -132.14 157.71 43.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.304 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.42 -75.85 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.965 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -163.78 39.41 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.69 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.16 166.32 24.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.842 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -68.12 -10.59 55.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.915 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.421 HG22 ' O ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -120.39 140.99 50.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.434 0.635 . . . . 0.0 111.702 179.765 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.634 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.5 p-80 -151.36 -171.56 3.97 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.038 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.573 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 80.6 p -154.68 -151.12 0.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.45 -0.5 . . . . 0.0 111.215 177.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.811 ' H ' HG22 ' A' ' 7' ' ' THR . 39.2 m -99.68 169.44 9.27 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.856 0.36 . . . . 0.0 111.404 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -150.34 41.84 0.81 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.626 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.57 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -59.23 -26.25 64.72 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 121.465 0.65 . . . . 0.0 109.772 178.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 50' ' ' CYS . 0.0 OUTLIER -132.61 136.58 46.62 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.372 -179.816 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.8 86.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.815 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 48' ' ' LYS . 85.1 m . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.873 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.467 0.406 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.862 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 9.3 p -52.17 143.18 14.91 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.608 179.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.402 HG22 ' H ' ' A' ' 45' ' ' CYS . 1.4 p 61.76 131.56 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 121.184 0.516 . . . . 0.0 111.586 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 1.023 ' HD2' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.66 34.04 2.35 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.726 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.99 6.2 2.57 Favored Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 114.515 -1.22 . . . . 0.0 110.879 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.6 t80 53.44 70.5 0.59 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.429 -0.385 . . . . 0.0 110.37 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.742 ' HG3' ' HZ2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -145.94 63.98 1.23 Allowed 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -179.202 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.802 ' HE3' ' HE3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -113.83 157.9 21.71 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 177.802 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.46 158.07 43.74 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 -178.127 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.49 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 97.96 57.95 1.0 Allowed Glycine 0 C--N 1.337 0.629 0 CA-C-N 115.206 -0.906 . . . . 0.0 113.297 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.49 ' C ' ' O ' ' A' ' 14' ' ' GLY . 1.2 mttt 19.48 83.94 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 122.991 0.516 . . . . 0.0 111.895 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.419 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 1.3 t 50.67 59.58 4.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.517 -178.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.561 ' HB ' ' HG2' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -80.32 150.15 30.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.497 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.498 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -52.9 -51.66 60.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.544 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.19 -27.96 6.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.013 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.561 ' HG2' ' HB ' ' A' ' 17' ' ' THR . 6.8 mm-40 -77.74 -49.17 14.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.527 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 3.9 pt-20 -64.53 -27.51 69.02 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.033 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.94 -36.01 42.36 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.516 178.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.802 ' HE3' ' HE3' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -50.88 -57.65 7.96 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.394 178.62 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.684 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 0.6 OUTLIER -67.75 -32.31 72.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.0 179.313 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.527 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -61.68 -73.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.327 -179.366 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.8 p -52.89 -31.86 41.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.948 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.023 HD22 ' HD2' ' A' ' 8' ' ' ARG . 0.2 OUTLIER -77.15 -34.44 56.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.761 0.315 . . . . 0.0 111.694 -179.475 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.544 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 2.1 m-85 -143.13 104.93 5.16 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.669 -178.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.438 ' HD2' HH21 ' A' ' 30' ' ' ARG . 4.6 Cg_exo -74.59 76.41 3.23 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.719 2.28 . . . . 0.0 111.497 179.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.471 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 2.5 mmp_? -113.71 -170.02 1.62 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.496 0.665 . . . . 0.0 111.87 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.41 -18.52 8.03 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.56 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.45 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 0.6 OUTLIER -118.1 12.85 13.72 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.029 0.442 . . . . 0.0 110.142 179.257 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.684 ' SG ' ' HB2' ' A' ' 24' ' ' CYS . 32.1 t -99.4 68.39 1.61 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.683 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.49 HG23 ' N ' ' A' ' 35' ' ' CYS . 9.0 t -115.26 -150.11 0.46 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.617 -179.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.49 ' N ' HG23 ' A' ' 34' ' ' THR . 1.6 t -98.19 144.51 27.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.021 0.438 . . . . 0.0 111.43 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.475 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -146.65 126.25 13.33 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.998 -179.872 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -131.53 156.86 44.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.468 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 t -99.71 -77.47 0.52 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.056 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.33 42.66 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.619 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 62.4 mtp -144.13 -172.91 3.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -80.27 -27.91 38.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.859 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.85 140.91 37.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.408 0.623 . . . . 0.0 111.564 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.615 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 7.4 p-80 -151.1 -168.99 3.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.107 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.591 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 80.3 p -153.48 -145.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 177.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.542 ' HB2' HH22 ' A' ' 8' ' ' ARG . 84.4 m -130.14 150.97 51.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.926 0.393 . . . . 0.0 111.534 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -113.49 56.57 0.69 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.046 -178.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.648 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 4.2 m -60.53 -26.15 66.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.296 0.57 . . . . 0.0 110.124 178.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.862 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 8.6 tmtt? -131.88 161.25 33.45 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.684 -179.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.27 66.28 1.72 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.667 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.896 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.584 0.23 . . . . 0.0 111.307 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.833 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 25.9 p -50.98 124.1 10.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.841 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.516 HG22 ' H ' ' A' ' 45' ' ' CYS . 1.0 OUTLIER 60.77 147.31 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.312 0.577 . . . . 0.0 111.928 179.827 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.962 ' HD3' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.4 35.48 1.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 178.779 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.24 17.09 5.86 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.138 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 63.7 t80 59.29 88.07 0.07 Allowed 'General case' 0 C--O 1.233 0.189 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.03 57.57 0.25 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.741 ' HG3' ' HE2' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -113.68 153.41 28.99 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 177.444 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.464 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -146.5 158.81 43.95 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -177.808 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.51 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 95.02 60.41 1.07 Allowed Glycine 0 C--N 1.338 0.643 0 CA-C-N 115.149 -0.932 . . . . 0.0 113.164 179.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.51 ' C ' ' O ' ' A' ' 14' ' ' GLY . 20.4 mttt 16.45 84.58 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.12 0.568 . . . . 0.0 111.853 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 52.8 59.89 4.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.147 -178.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.464 ' HB ' ' O ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -82.22 160.23 23.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.26 -179.381 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.433 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.9 m -54.87 -58.87 5.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.608 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -47.77 -26.15 1.5 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.197 -179.822 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.709 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -78.18 -53.57 7.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.64 179.903 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.521 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 2.9 pt-20 -60.96 -26.12 67.32 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 178.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -73.51 -46.49 47.56 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.444 178.804 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.741 ' HE2' ' HG3' ' A' ' 12' ' ' LYS . 0.7 OUTLIER -51.43 -39.34 57.15 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 178.784 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.582 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 19.9 m -63.7 -48.86 75.41 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.697 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.89 -69.08 0.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -179.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.0 p -45.88 -40.12 9.57 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.962 HD12 ' HD3' ' A' ' 8' ' ' ARG . 1.2 mm? -79.92 -39.06 31.15 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 120.791 0.329 . . . . 0.0 111.189 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.709 ' OH ' ' HD2' ' A' ' 8' ' ' ARG . 1.4 m-85 -131.31 122.4 19.03 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.591 -177.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -82.95 43.81 1.55 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.566 2.177 . . . . 0.0 111.491 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.7 ' HD3' ' H ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -77.62 160.78 28.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.163 -178.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.7 ' H ' ' HD3' ' A' ' 30' ' ' ARG . . . -104.56 -8.75 37.07 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 178.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.493 ' H ' ' HD3' ' A' ' 30' ' ' ARG . 7.8 mt-30 -125.27 18.64 8.28 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.943 0.402 . . . . 0.0 110.6 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.582 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 36.5 t -99.48 149.8 22.85 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.954 179.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.435 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 5.4 t -177.88 -159.7 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.304 -179.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.427 ' N ' HG23 ' A' ' 34' ' ' THR . 0.5 OUTLIER -96.38 127.41 42.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.157 0.504 . . . . 0.0 111.379 -179.045 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.0 t -127.64 129.62 47.53 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.744 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.436 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 32.0 t70 -139.15 156.21 47.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.594 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 p -99.96 -73.33 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -169.09 44.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.727 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 70.6 mmm -139.78 -167.77 2.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.834 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -88.47 -28.05 21.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.33 142.24 33.87 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.381 0.61 . . . . 0.0 111.469 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.637 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 2.2 p-80 -151.27 -174.64 4.88 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.092 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.544 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 88.3 p -153.34 -158.79 0.91 Allowed 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.836 177.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.516 ' H ' HG22 ' A' ' 7' ' ' THR . 81.2 m -99.42 176.21 5.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.721 0.296 . . . . 0.0 111.075 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -150.51 48.85 0.88 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.526 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.557 ' HB3' ' HG3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -63.6 -22.9 67.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.298 0.57 . . . . 0.0 110.035 179.103 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.833 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.4 OUTLIER -136.0 126.89 27.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -43.93 94.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.7 p . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.837 -179.631 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.758 0.313 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.58 ' HB2' ' HA ' ' A' ' 46' ' ' ASP . 1.0 OUTLIER -58.19 135.36 57.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.584 179.736 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.421 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.9 OUTLIER 59.29 149.13 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 121.29 0.567 . . . . 0.0 112.138 179.87 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.938 ' HD3' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.26 36.74 1.67 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.748 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.33 17.62 7.58 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 114.6 -1.182 . . . . 0.0 110.475 -178.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.47 ' HD1' ' HB3' ' A' ' 44' ' ' SER . 10.0 t80 59.73 95.27 0.03 OUTLIER 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 115.517 -0.341 . . . . 0.0 110.253 -179.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.9 53.96 0.1 Allowed 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.654 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 1.1 mptt -110.55 156.02 21.5 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 177.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.432 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -148.81 155.62 41.18 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 -177.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.511 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 99.26 56.42 0.99 Allowed Glycine 0 C--N 1.337 0.609 0 CA-C-N 115.15 -0.932 . . . . 0.0 113.141 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' A' ' 14' ' ' GLY . 3.8 mttt 19.52 84.56 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.042 0.537 . . . . 0.0 111.701 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 52.25 58.83 5.01 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.484 0.659 . . . . 0.0 109.758 -178.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.568 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -79.24 160.51 26.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.321 -179.072 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.577 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.3 m -56.76 -58.13 9.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.213 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -49.17 -25.51 2.26 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.963 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.57 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -76.99 -53.29 8.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.541 179.801 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.577 ' HG2' ' O ' ' A' ' 18' ' ' THR . 7.0 pt-20 -59.6 -29.18 67.8 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 178.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -47.77 57.05 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.481 178.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.715 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 3.2 ttpt -51.24 -36.85 43.87 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.361 0.6 . . . . 0.0 109.467 178.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.498 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 37.1 m -65.3 -47.34 76.93 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.888 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.22 -65.82 0.9 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -179.135 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.8 p -47.77 -41.2 22.74 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.938 HD12 ' HD3' ' A' ' 8' ' ' ARG . 1.2 mm? -79.66 -40.34 29.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.825 0.345 . . . . 0.0 111.477 -179.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.692 ' OH ' ' HD2' ' A' ' 8' ' ' ARG . 1.6 m-85 -126.85 123.58 23.75 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.746 -176.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -86.67 48.62 1.91 Allowed 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 122.686 2.258 . . . . 0.0 111.472 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.684 HH11 ' HG2' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -87.9 159.71 18.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.106 -178.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.634 ' H ' ' HD3' ' A' ' 30' ' ' ARG . . . -99.64 -15.52 31.57 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 178.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.684 ' HG2' HH11 ' A' ' 30' ' ' ARG . 11.3 mm-40 -117.0 21.24 13.39 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.354 -0.423 . . . . 0.0 110.338 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.624 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 34.6 t -99.44 147.83 24.86 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.197 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.442 HG23 ' N ' ' A' ' 35' ' ' CYS . 4.4 t -178.61 -161.2 0.05 OUTLIER 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.037 -179.348 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.442 ' N ' HG23 ' A' ' 34' ' ' THR . 0.4 OUTLIER -96.22 131.59 42.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.314 0.578 . . . . 0.0 111.382 -179.195 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.425 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 34.2 t -134.12 134.07 41.81 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.611 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.439 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 31.1 t0 -142.58 159.69 41.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.666 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.63 -73.66 0.64 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.777 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -168.75 54.67 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.78 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.26 -170.29 3.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -87.0 -23.3 25.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.29 141.5 37.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.319 0.581 . . . . 0.0 111.635 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.654 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 2.6 p-80 -151.14 -174.26 4.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.069 -0.968 . . . . 0.0 109.264 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.528 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 69.6 p -153.9 -160.88 1.15 Allowed 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.696 177.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.421 ' H ' HG22 ' A' ' 7' ' ' THR . 61.8 m -99.41 175.27 5.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.755 0.312 . . . . 0.0 111.211 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.58 ' HA ' ' HB2' ' A' ' 6' ' ' CYS . 3.5 t70 -150.54 49.55 0.88 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.402 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.624 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -62.0 -24.15 66.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.262 0.553 . . . . 0.0 110.105 179.203 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.512 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.2 OUTLIER -126.96 144.95 50.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.534 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.08 84.97 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.749 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.434 ' N ' ' O ' ' A' ' 48' ' ' LYS . 60.9 m . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.811 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.681 0.277 . . . . 0.0 111.338 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.472 ' HB2' ' HA ' ' A' ' 46' ' ' ASP . 1.1 p -53.12 136.98 34.8 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.742 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.435 HG23 ' SG ' ' A' ' 6' ' ' CYS . 1.0 OUTLIER 59.78 147.72 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.283 0.563 . . . . 0.0 112.168 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.999 ' HD3' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.53 34.5 2.2 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.697 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.01 17.54 5.82 Favored Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.067 -178.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 44.0 t80 58.43 85.71 0.09 Allowed 'General case' 0 C--O 1.232 0.162 0 N-CA-C 110.348 -0.241 . . . . 0.0 110.348 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -158.89 55.15 0.42 Allowed 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -179.59 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.749 ' HG3' ' HE2' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -111.93 152.71 27.72 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 177.499 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.421 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.3 OUTLIER -148.81 154.54 39.67 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -177.757 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.502 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 104.69 46.14 1.33 Allowed Glycine 0 C--N 1.338 0.69 0 CA-C-N 115.167 -0.924 . . . . 0.0 113.345 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.475 ' N ' ' HE1' ' A' ' 43' ' ' HIS . 1.5 mtpt 29.35 82.41 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 122.622 0.369 . . . . 0.0 111.301 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER 53.31 50.89 16.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.438 0.637 . . . . 0.0 109.795 -178.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.468 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -72.55 155.1 40.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.938 -179.638 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.441 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.8 m -53.37 -54.08 41.85 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.236 179.408 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -50.5 -25.67 4.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.822 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.689 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -79.11 -50.58 10.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.485 179.713 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.613 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 4.2 pt-20 -62.76 -25.35 68.16 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.11 -44.88 44.67 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.451 178.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.749 ' HE2' ' HG3' ' A' ' 12' ' ' LYS . 0.6 OUTLIER -55.06 -36.17 65.3 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-O 121.389 0.614 . . . . 0.0 109.479 178.683 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.498 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 32.0 m -71.98 -38.05 69.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.056 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.502 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -78.39 -64.0 1.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.879 0.325 . . . . 0.0 111.879 -179.557 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.3 p -55.51 -37.61 68.1 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.999 HD12 ' HD3' ' A' ' 8' ' ' ARG . 1.0 OUTLIER -79.86 -39.54 30.37 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 120.792 0.329 . . . . 0.0 111.348 -179.339 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.693 ' OH ' ' HD2' ' A' ' 8' ' ' ARG . 1.7 m-85 -127.67 118.77 21.32 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.683 -176.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -85.53 50.97 2.81 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.611 2.207 . . . . 0.0 111.706 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.653 ' HD3' ' H ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -93.96 162.59 13.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.271 0.558 . . . . 0.0 112.132 -178.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -97.75 -19.54 24.37 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 178.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.653 ' H ' ' HD3' ' A' ' 30' ' ' ARG . 4.0 mt-30 -110.87 17.17 20.81 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 121.005 0.431 . . . . 0.0 110.247 179.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.549 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 43.8 t -99.32 143.84 29.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.902 179.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.475 HG23 ' N ' ' A' ' 35' ' ' CYS . 5.5 t -177.05 -156.55 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.202 -179.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.475 ' N ' HG23 ' A' ' 34' ' ' THR . 0.6 OUTLIER -95.92 125.3 40.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.19 0.519 . . . . 0.0 111.532 -179.077 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 8.2 t -123.62 124.89 43.8 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.874 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -133.24 148.92 52.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.322 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.87 -71.54 0.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -168.25 46.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.739 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.4 mtt -150.18 164.12 36.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.045 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -60.93 -28.78 69.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.048 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.15 142.53 31.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.454 0.645 . . . . 0.0 111.563 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.642 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 2.6 p-80 -151.1 -172.85 4.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.015 -0.993 . . . . 0.0 108.972 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.539 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 79.7 p -153.84 -156.93 0.73 Allowed 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.971 177.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.429 ' HB2' ' H ' ' A' ' 7' ' ' THR . 75.7 m -99.47 171.85 7.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.862 0.363 . . . . 0.0 111.325 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.472 ' HA ' ' HB2' ' A' ' 6' ' ' CYS . 12.1 t70 -150.21 50.21 0.9 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.445 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.549 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -71.25 -21.18 62.14 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.388 0.613 . . . . 0.0 109.847 179.122 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.466 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -126.43 137.12 53.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.351 -179.765 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.32 86.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.672 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 48' ' ' LYS . 62.3 m . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.831 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.213 0 N-CA-C 111.27 0.1 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.853 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 15.9 p -39.9 120.75 1.19 Allowed 'General case' 0 N--CA 1.463 0.204 0 O-C-N 123.037 0.21 . . . . 0.0 111.13 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.527 ' H ' ' HB2' ' A' ' 45' ' ' CYS . 1.5 p 62.35 134.33 0.01 OUTLIER 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.274 0.559 . . . . 0.0 111.867 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.792 ' H ' ' HZ1' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -99.18 37.18 1.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.895 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.69 11.04 11.84 Favored Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.752 -178.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.437 ' HA ' ' HB3' ' A' ' 44' ' ' SER . 0.6 OUTLIER 59.62 78.71 0.26 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.45 -0.375 . . . . 0.0 110.462 -179.634 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.51 55.61 0.91 Allowed 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -179.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.792 ' HZ1' ' H ' ' A' ' 8' ' ' ARG . 4.7 mptt -110.96 159.94 17.26 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 178.199 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.431 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.1 OUTLIER -150.31 153.05 35.43 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 -178.367 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.491 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 101.82 48.23 1.4 Allowed Glycine 0 C--N 1.34 0.757 0 CA-C-N 115.324 -0.853 . . . . 0.0 113.735 178.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.5 ' N ' ' CE1' ' A' ' 43' ' ' HIS . 3.7 mttp 28.21 83.92 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 122.521 0.328 . . . . 0.0 111.539 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 50.75 50.55 18.75 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.498 0.666 . . . . 0.0 109.596 -178.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.485 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -69.87 159.21 34.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.369 -179.239 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.615 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -55.17 -54.94 36.86 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.012 179.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -51.74 -23.26 4.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.529 179.726 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.511 ' HG3' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -78.68 -51.58 9.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.351 179.668 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.615 ' HG2' ' O ' ' A' ' 18' ' ' THR . 6.1 pt-20 -64.16 -24.9 67.85 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.44 -37.29 37.38 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.004 179.214 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.737 ' HG2' ' HE3' ' A' ' 12' ' ' LYS . 1.4 tptt -54.49 -46.22 73.39 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.501 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 2.0 m -68.36 -41.97 79.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.221 -0.9 . . . . 0.0 112.155 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.483 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -73.39 -69.41 0.43 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.734 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.572 ' OG1' HD12 ' A' ' 27' ' ' LEU . 57.0 p -50.3 -42.79 53.13 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.881 0.696 . . . . 0.0 112.881 -178.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.651 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 6.2 mp -85.33 -40.54 16.42 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -178.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.515 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -108.4 126.2 30.14 Favored Pre-proline 0 CA--C 1.532 0.259 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.862 -179.076 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -92.61 38.68 0.24 Allowed 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 122.823 2.349 . . . . 0.0 113.33 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.689 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -80.77 138.21 36.27 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.866 0.365 . . . . 0.0 111.594 -179.914 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.86 -11.84 83.36 Favored Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 110.529 -1.029 . . . . 0.0 110.529 178.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.513 ' H ' ' HD2' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -125.87 37.42 4.35 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.033 -0.583 . . . . 0.0 110.217 179.579 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.657 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 2.0 t -98.64 153.01 19.0 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.706 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.474 HG23 ' N ' ' A' ' 35' ' ' CYS . 1.3 t -178.3 -167.36 0.13 Allowed 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 120.577 -0.449 . . . . 0.0 112.025 -179.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.474 ' N ' HG23 ' A' ' 34' ' ' THR . 0.1 OUTLIER -97.49 147.0 24.69 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.993 0.425 . . . . 0.0 111.179 -179.42 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.486 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 10.7 t -144.59 129.35 18.26 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.043 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.448 ' OD2' ' HB3' ' A' ' 43' ' ' HIS . 14.0 t70 -137.58 161.16 37.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.655 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.9 -79.47 0.58 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.974 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.63 43.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.638 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 17.7 mtp -146.01 168.08 21.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.941 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -65.58 -26.13 67.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.001 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -103.77 142.39 34.44 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.326 0.584 . . . . 0.0 111.689 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.58 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 2.7 p-80 -151.29 -168.01 2.97 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.032 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.505 ' HB2' ' HZ3' ' A' ' 12' ' ' LYS . 83.4 p -152.99 -154.48 0.53 Allowed 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.709 177.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.527 ' HB2' ' H ' ' A' ' 7' ' ' THR . 97.6 m -99.6 177.96 5.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.32 0.581 . . . . 0.0 112.354 -178.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.417 ' HB2' ' HB2' ' A' ' 36' ' ' SER . 13.7 t0 -145.95 39.31 1.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.988 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.689 ' SG ' ' HB2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -48.25 -28.02 2.82 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.815 179.433 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.853 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -150.11 145.96 26.63 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.889 -179.21 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.45 ' N ' ' HD3' ' A' ' 48' ' ' LYS . 0.2 OUTLIER -63.26 85.92 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.879 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.6 p . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.909 -179.794 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.464 0.269 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.769 ' HB2' ' HA ' ' A' ' 46' ' ' ASP . 0.5 OUTLIER 63.74 137.97 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.268 179.884 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.565 ' OG1' ' HB2' ' A' ' 44' ' ' SER . 13.7 t 40.31 -162.87 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.451 ' HG2' ' NZ ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -139.45 43.65 2.0 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.231 0.538 . . . . 0.0 109.55 -179.808 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.453 ' H ' HG23 ' A' ' 7' ' ' THR . . . 110.16 16.22 10.73 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.432 -178.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.522 ' HA ' ' CB ' ' A' ' 44' ' ' SER . 1.0 OUTLIER 57.65 76.19 0.34 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.771 -0.214 . . . . 0.0 110.44 -179.619 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.504 ' HG3' ' HE3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -144.25 52.89 1.27 Allowed 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -179.449 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.768 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -115.12 155.41 27.15 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 178.085 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.01 159.45 44.38 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -177.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.497 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 104.01 44.09 1.68 Allowed Glycine 0 C--N 1.338 0.642 0 CA-C-N 115.087 -0.961 . . . . 0.0 113.447 179.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.48 ' N ' ' CE1' ' A' ' 43' ' ' HIS . 0.2 OUTLIER 28.71 83.78 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 122.525 0.33 . . . . 0.0 111.301 -179.764 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 52.57 51.47 16.03 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.39 0.614 . . . . 0.0 109.803 -178.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.678 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -72.63 153.98 40.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.222 -179.379 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.599 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -54.69 -55.08 33.61 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -50.53 -27.8 7.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.624 179.607 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.678 ' H ' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -74.32 -51.83 14.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.52 179.679 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.599 ' HG2' ' O ' ' A' ' 18' ' ' THR . 7.8 pt-20 -61.31 -33.81 74.2 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.25 -36.5 69.08 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.887 178.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.64 ' HE3' ' HE2' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -55.04 -47.05 75.29 Favored 'General case' 0 C--O 1.223 -0.334 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.795 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.584 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 3.2 m -65.53 -34.92 79.38 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.514 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.518 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -72.03 -69.84 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.604 -179.514 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.2 p -51.98 -33.63 38.83 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.56 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -81.84 -43.56 18.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.76 0.314 . . . . 0.0 111.244 -179.717 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.633 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 2.3 m-85 -134.58 101.22 12.03 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.228 -177.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -72.83 73.64 2.97 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.837 2.358 . . . . 0.0 111.236 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.444 ' HB2' ' CB ' ' A' ' 33' ' ' CYS . 15.3 mmm180 -118.71 179.77 4.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.338 0.59 . . . . 0.0 111.774 -178.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -105.16 -16.36 16.79 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.066 178.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.97 10.23 15.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.186 0.517 . . . . 0.0 110.305 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.633 ' SG ' ' HB2' ' A' ' 28' ' ' TYR . 45.9 t -100.44 98.32 8.96 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.789 179.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.501 HG23 ' N ' ' A' ' 35' ' ' CYS . 11.6 t -144.37 -146.69 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.284 -179.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.501 ' N ' HG23 ' A' ' 34' ' ' THR . 0.0 OUTLIER -96.86 130.51 44.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.167 0.508 . . . . 0.0 111.457 -179.101 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 25.2 t -133.27 125.65 29.75 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.488 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.418 ' HB2' ' HB3' ' A' ' 43' ' ' HIS . 28.8 t70 -143.02 156.19 44.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.737 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.3 -63.05 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.746 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.03 41.75 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.598 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.5 mtp -138.48 165.26 27.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.986 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -64.18 -29.42 70.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.132 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.02 141.81 32.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.555 0.693 . . . . 0.0 111.559 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.665 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.5 p-80 -151.13 -176.33 5.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.767 -1.106 . . . . 0.0 108.57 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.599 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 91.3 p -153.9 -163.44 1.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.049 -0.66 . . . . 0.0 111.961 177.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.562 ' H ' ' HB ' ' A' ' 7' ' ' THR . 55.0 m -99.77 135.52 41.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.028 -179.521 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.769 ' HA ' ' HB2' ' A' ' 6' ' ' CYS . 15.9 t0 -117.33 51.71 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.821 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.539 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.4 OUTLIER -59.75 -24.57 64.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.351 179.404 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.449 ' H ' ' CB ' ' A' ' 6' ' ' CYS . 2.7 tmtt? -140.58 135.65 32.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.676 -179.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.19 98.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.135 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.0 p . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.314 -0.851 . . . . 0.0 110.948 -179.715 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.554 0.216 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.564 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 19.6 p -45.64 111.65 0.37 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.19 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.882 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.7 OUTLIER 57.98 157.5 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.394 0.616 . . . . 0.0 112.409 179.488 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.1 mtp85 -101.37 31.22 3.81 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.24 17.66 6.13 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.194 -178.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 63.7 86.01 0.13 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.738 -0.231 . . . . 0.0 110.404 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.609 ' HD2' ' HE3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -154.06 51.19 0.66 Allowed 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -179.549 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.64 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 0.1 OUTLIER -112.1 156.03 22.9 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 178.142 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.419 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -148.33 155.48 41.34 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -178.111 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.521 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 97.31 60.9 0.94 Allowed Glycine 0 C--N 1.338 0.681 0 CA-C-N 115.289 -0.869 . . . . 0.0 112.942 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.521 ' C ' ' O ' ' A' ' 14' ' ' GLY . 0.6 OUTLIER 13.35 87.9 0.01 OUTLIER 'General case' 0 C--N 1.346 0.45 0 C-N-CA 123.171 0.588 . . . . 0.0 112.056 -179.556 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.3 t 52.35 62.11 2.86 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.354 0.597 . . . . 0.0 109.459 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.637 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -82.01 156.12 24.81 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.055 -179.004 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.416 HG22 ' N ' ' A' ' 19' ' ' LEU . 2.7 m -53.61 -70.08 0.1 Allowed 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.422 ' HA ' HD22 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -43.42 -24.24 0.09 Allowed 'General case' 0 CA--C 1.522 -0.122 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.63 179.889 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.637 ' H ' HG22 ' A' ' 17' ' ' THR . 2.1 tm-20 -76.16 -63.73 1.26 Allowed 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 120.936 0.398 . . . . 0.0 110.147 179.271 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -53.65 -28.61 34.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.242 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.42 -39.8 45.68 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.127 179.098 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.62 ' HE2' ' HG3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -52.16 -45.2 64.98 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.802 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.53 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 3.2 m -70.09 -37.06 75.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.91 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.522 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -75.01 -68.37 0.56 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -179.201 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.8 p -50.65 -42.09 56.1 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.612 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.9 mp -85.41 -40.3 16.6 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -178.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.509 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -111.65 96.62 33.39 Favored Pre-proline 0 CA--C 1.53 0.192 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.925 -178.829 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -74.83 72.87 4.4 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.289 1.993 . . . . 0.0 111.749 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.564 ' HD2' ' H ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -115.91 -177.53 3.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.299 0.571 . . . . 0.0 112.182 -179.058 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.564 ' H ' ' HD2' ' A' ' 30' ' ' ARG . . . -112.38 -33.14 2.17 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.166 178.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.525 ' HG3' ' NH2' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -98.63 12.85 34.06 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.208 0.527 . . . . 0.0 110.056 179.084 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.561 ' O ' ' HB ' ' A' ' 34' ' ' THR . 20.0 t -101.17 147.06 26.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.308 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.561 ' HB ' ' O ' ' A' ' 33' ' ' CYS . 14.7 t 173.63 -140.43 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 O-C-N 123.287 0.367 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.545 ' N ' HG23 ' A' ' 34' ' ' THR . 0.0 OUTLIER -96.9 133.53 41.41 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.081 0.467 . . . . 0.0 111.294 -179.426 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.473 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.1 OUTLIER -141.81 118.94 11.33 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.802 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.44 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 26.7 t70 -129.18 156.39 44.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.808 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.8 m -99.85 -76.62 0.54 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.857 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -168.76 38.82 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.706 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 28.7 mtm -139.61 -172.86 3.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.797 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -80.38 -28.04 38.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.17 140.55 37.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.441 0.639 . . . . 0.0 111.515 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.64 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 5.4 p-80 -150.99 -172.14 4.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.968 -1.015 . . . . 0.0 108.979 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.56 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 78.8 p -154.27 -143.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 121.101 -0.24 . . . . 0.0 110.402 177.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.882 ' H ' HG22 ' A' ' 7' ' ' THR . 3.3 m -111.2 178.65 4.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.836 0.351 . . . . 0.0 111.395 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -150.53 40.02 0.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.053 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.517 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -56.52 -26.35 54.39 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.365 0.602 . . . . 0.0 110.042 179.303 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.595 ' HB3' ' SG ' ' A' ' 50' ' ' CYS . 8.6 tttm -130.5 150.87 51.52 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.749 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.31 77.33 0.16 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.556 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.595 ' SG ' ' HB3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.792 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 5' ' ' ARG . 7.3 ptt180 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.773 0.32 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.603 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 2.7 p -46.5 137.81 6.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.314 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.823 ' H ' ' HB2' ' A' ' 45' ' ' CYS . 0.4 OUTLIER 59.7 149.87 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.101 0 CA-C-O 121.415 0.626 . . . . 0.0 112.551 179.153 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.728 ' HD3' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.71 35.19 2.05 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.518 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.55 15.32 8.89 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 114.825 -1.079 . . . . 0.0 110.667 -178.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.439 ' HA ' ' CB ' ' A' ' 44' ' ' SER . 0.8 OUTLIER 60.09 82.06 0.16 Allowed 'General case' 0 C--O 1.231 0.121 0 CA-C-N 115.309 -0.446 . . . . 0.0 110.566 -179.622 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.67 49.87 0.87 Allowed 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -179.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.671 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 0.5 OUTLIER -109.02 155.12 21.28 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 177.907 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.15 155.77 42.42 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 -177.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.503 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 97.92 58.94 0.96 Allowed Glycine 0 C--N 1.339 0.703 0 CA-C-N 115.228 -0.896 . . . . 0.0 113.108 179.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.503 ' C ' ' O ' ' A' ' 14' ' ' GLY . 90.4 mttt 16.98 83.7 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 122.995 0.518 . . . . 0.0 111.999 -179.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.416 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.4 OUTLIER 53.32 59.96 4.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.592 -178.637 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.554 ' HB ' ' HG2' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -82.97 154.47 24.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.733 -179.794 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.557 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.3 m -52.55 -55.53 21.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.76 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.39 -23.77 2.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.434 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.554 ' HG2' ' HB ' ' A' ' 17' ' ' THR . 5.1 mm-40 -82.22 -49.16 10.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.595 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 18' ' ' THR . 12.3 pt-20 -63.48 -25.74 68.4 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 178.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.34 -43.65 40.05 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.693 178.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.553 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -50.9 -43.54 59.83 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 121.217 0.532 . . . . 0.0 109.692 178.894 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.584 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 17.8 m -64.71 -50.12 68.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.912 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.438 ' HE3' ' O ' ' A' ' 33' ' ' CYS . 0.8 OUTLIER -69.69 -68.41 0.41 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.258 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.44 ' OG1' HD23 ' A' ' 27' ' ' LEU . 62.6 p -45.87 -35.12 4.28 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.127 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.728 HD12 ' HD3' ' A' ' 8' ' ' ARG . 0.1 OUTLIER -85.1 -44.93 12.55 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.89 0.376 . . . . 0.0 110.41 -179.918 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.538 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -116.58 122.57 31.6 Favored Pre-proline 0 N--CA 1.462 0.15 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.402 -177.875 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -80.78 37.11 0.66 Allowed 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.326 2.017 . . . . 0.0 111.202 178.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.464 ' HG2' ' HB3' ' A' ' 47' ' ' CYS . 4.5 mpt_? -68.48 170.09 9.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.363 -178.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -117.23 -14.07 7.28 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.045 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -122.0 17.57 10.89 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 120.938 0.399 . . . . 0.0 110.437 179.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.584 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 17.0 t -99.69 153.77 18.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.269 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.488 HG23 ' N ' ' A' ' 35' ' ' CYS . 6.9 t 179.69 -152.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.077 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.488 ' N ' HG23 ' A' ' 34' ' ' THR . 0.9 OUTLIER -97.75 135.48 39.46 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.105 0.478 . . . . 0.0 111.362 -179.415 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.481 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 64.0 p -137.54 122.97 19.56 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.592 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -129.52 151.84 49.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.703 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.12 -81.66 0.46 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.848 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -159.91 48.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.742 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.5 mtp -147.55 -179.56 6.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.839 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -82.51 -4.4 57.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.583 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.81 141.78 51.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.399 0.618 . . . . 0.0 111.467 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.671 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.0 p-80 -150.83 -172.95 4.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.983 -1.008 . . . . 0.0 108.897 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.509 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 65.8 p -154.28 -143.3 0.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.726 177.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.823 ' HB2' ' H ' ' A' ' 7' ' ' THR . 58.6 m -105.12 173.44 6.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.906 0.384 . . . . 0.0 111.68 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -150.92 46.76 0.85 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.216 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.579 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -65.96 -21.95 66.45 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.305 0.574 . . . . 0.0 110.08 179.424 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.603 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 1.8 tmtt? -135.76 125.0 24.6 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.134 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.8 t -38.75 93.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.407 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.422 ' N ' ' O ' ' A' ' 48' ' ' LYS . 26.2 p . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.923 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.864 0.364 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.716 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 1.7 p -50.57 123.72 9.38 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.232 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.493 ' HA ' ' NH1' ' A' ' 8' ' ' ARG . 0.6 OUTLIER 62.31 143.29 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.102 0 CA-C-O 121.35 0.595 . . . . 0.0 111.977 179.637 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.99 ' HD2' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.96 32.3 2.97 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 178.579 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.98 6.17 2.89 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 114.572 -1.195 . . . . 0.0 110.925 -178.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.3 t80 56.09 88.28 0.05 OUTLIER 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.482 -0.359 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.48 ' H ' ' HZ2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -163.12 57.98 0.19 Allowed 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -179.893 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.736 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -111.73 158.24 19.56 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 178.293 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.459 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -150.44 158.85 44.61 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -177.74 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.479 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 98.84 52.34 1.29 Allowed Glycine 0 C--N 1.34 0.778 0 CA-C-N 115.214 -0.903 . . . . 0.0 113.589 178.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 14' ' ' GLY . 1.6 mtmm 22.05 84.67 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 122.741 0.416 . . . . 0.0 111.678 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.9 t 53.63 55.78 8.11 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.257 0.551 . . . . 0.0 109.812 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.51 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -75.99 155.33 35.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.195 -179.283 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 m -55.26 -55.71 28.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.006 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -51.91 -23.48 5.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.863 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.527 ' HG3' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -74.89 -52.37 11.45 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.305 179.657 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.613 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 3.0 pt-20 -63.3 -34.83 78.53 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.52 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -71.21 -32.84 69.31 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.915 179.036 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.67 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -55.07 -64.93 0.68 Allowed 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.802 179.378 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.515 ' SG ' ' HB3' ' A' ' 33' ' ' CYS . 0.8 OUTLIER -68.56 -16.89 64.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.417 179.694 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.613 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -70.69 -72.73 0.19 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.814 0.34 . . . . 0.0 110.958 -179.536 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.5 p -57.49 -27.81 62.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.237 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.99 HD22 ' HD2' ' A' ' 8' ' ' ARG . 0.1 OUTLIER -81.0 -33.95 33.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.403 -179.78 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.6 ' CE2' ' HB3' ' A' ' 27' ' ' LEU . 4.7 m-85 -141.11 109.84 6.42 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.561 -178.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -83.48 51.43 3.54 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.809 2.339 . . . . 0.0 112.341 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.751 ' HD3' ' H ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -85.4 -157.66 0.33 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.402 -179.7 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.751 ' H ' ' HD3' ' A' ' 30' ' ' ARG . . . -125.08 -8.54 5.52 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 178.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -134.87 15.08 3.6 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.324 -0.438 . . . . 0.0 110.626 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.64 ' SG ' ' HB2' ' A' ' 30' ' ' ARG . 85.6 m -99.59 63.97 1.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.71 179.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.492 HG23 ' N ' ' A' ' 35' ' ' CYS . 8.9 t -115.15 -130.46 0.31 Allowed 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.662 -178.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.492 ' N ' HG23 ' A' ' 34' ' ' THR . 0.0 OUTLIER -98.83 146.23 26.15 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.967 0.413 . . . . 0.0 111.471 -179.298 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.513 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 10.6 t -149.85 106.82 3.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.344 179.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.518 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 29.9 t0 -115.19 162.71 16.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.554 -179.294 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.6 t -130.09 16.35 5.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.557 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 85.1 mttt 68.12 66.07 0.35 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.216 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.491 ' O ' ' HB3' ' A' ' 41' ' ' ASN . 8.4 mtp -150.5 17.22 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.78 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.491 ' HB3' ' O ' ' A' ' 40' ' ' MET . 40.3 t30 77.2 -41.15 0.37 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.572 -179.147 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -105.72 140.21 39.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.146 0.498 . . . . 0.0 110.449 178.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.601 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 6.7 p-80 -150.75 -171.14 3.85 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.603 -179.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.553 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 74.5 p -153.26 -149.15 0.28 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.238 177.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.591 ' HB3' HH22 ' A' ' 8' ' ' ARG . 0.0 OUTLIER -119.56 147.54 44.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.129 0.49 . . . . 0.0 112.032 -179.218 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -101.57 49.95 0.86 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.139 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.545 ' CB ' ' HA ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -49.45 -29.73 6.99 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.355 179.529 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.716 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 7.3 tttm -144.35 141.45 29.73 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.377 -1.283 . . . . 0.0 110.525 -179.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.7 t -56.21 93.54 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.736 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 27.0 p . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.908 -179.737 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.733 0.301 . . . . 0.0 111.143 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.651 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 1.6 p -48.25 122.79 5.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 179.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.559 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.6 OUTLIER 59.54 147.21 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 121.124 0.488 . . . . 0.0 112.005 179.696 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.796 ' HD2' HD12 ' A' ' 27' ' ' LEU . 2.6 mtp-105 -99.46 29.71 3.89 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 178.241 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 130.74 14.83 1.83 Allowed Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 114.411 -1.268 . . . . 0.0 111.144 -178.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.3 t80 57.83 86.46 0.08 Allowed 'General case' 0 C--O 1.231 0.124 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -153.22 55.87 0.77 Allowed 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 -179.219 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.739 ' HG3' ' HE2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -111.96 150.97 29.79 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 177.674 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.4 ' H ' ' CD ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -146.7 154.76 41.8 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -177.603 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.498 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 104.89 45.65 1.36 Allowed Glycine 0 C--N 1.337 0.598 0 CA-C-N 115.171 -0.922 . . . . 0.0 113.28 179.162 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.475 ' N ' ' HE1' ' A' ' 43' ' ' HIS . 0.9 OUTLIER 31.51 82.17 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.72 0.295 . . . . 0.0 111.236 -179.882 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.458 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 49.71 53.82 12.1 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.353 0.597 . . . . 0.0 109.994 -178.591 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.573 ' HB ' ' HG2' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -74.18 155.7 38.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.101 -179.523 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.445 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -50.65 -59.94 3.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.544 179.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.426 ' N ' HG22 ' A' ' 18' ' ' THR . 0.2 OUTLIER -46.07 -37.97 7.4 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.227 -179.858 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.573 ' HG2' ' HB ' ' A' ' 17' ' ' THR . 5.8 mm-40 -65.79 -53.06 45.35 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.98 -179.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 18' ' ' THR . 8.8 pt-20 -59.76 -34.17 72.63 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 178.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.432 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -65.73 -41.8 91.79 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.34 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.739 ' HE2' ' HG3' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -53.49 -50.18 65.9 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 178.493 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.462 ' HA ' ' HD2' ' A' ' 28' ' ' TYR . 2.9 m -52.53 -38.77 60.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.034 179.116 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.86 -77.01 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.128 -179.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.7 p -45.92 -35.89 5.0 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.796 HD12 ' HD2' ' A' ' 8' ' ' ARG . 2.8 mm? -80.69 -42.01 22.72 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 111.387 -179.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.462 ' HD2' ' HA ' ' A' ' 24' ' ' CYS . 1.4 m-85 -129.22 110.82 18.09 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 -177.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -80.4 63.56 8.77 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.502 2.135 . . . . 0.0 111.962 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.53 ' HB2' ' CB ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -107.71 169.35 8.65 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.307 0.575 . . . . 0.0 112.09 -179.051 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -102.79 -16.03 22.89 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.88 178.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -115.27 14.52 16.88 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.007 0.432 . . . . 0.0 110.256 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.706 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 49.3 t -99.59 137.9 37.44 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.685 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.471 HG23 ' N ' ' A' ' 35' ' ' CYS . 6.0 t -171.75 -155.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.232 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.471 ' N ' HG23 ' A' ' 34' ' ' THR . 1.3 t -96.51 117.35 30.73 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.241 0.543 . . . . 0.0 111.543 -178.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.0 p -115.45 131.52 56.9 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.449 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -147.03 158.14 43.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.75 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.6 m -106.79 -66.95 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.674 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -174.26 47.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.79 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.5 mmm -141.34 163.26 33.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -63.56 -20.62 65.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.84 143.04 40.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.475 0.655 . . . . 0.0 111.467 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.654 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.1 p-80 -150.92 -172.94 4.34 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.824 -1.08 . . . . 0.0 108.673 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.599 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 73.9 p -154.13 -154.65 0.53 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.862 177.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.559 ' H ' HG22 ' A' ' 7' ' ' THR . 45.0 m -121.68 118.66 29.69 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.876 0.369 . . . . 0.0 111.263 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -99.55 71.2 1.72 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.971 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.706 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 1.6 m -69.93 -23.28 63.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.58 0.705 . . . . 0.0 109.367 178.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.651 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -128.13 135.22 49.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.22 179.735 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.6 t -55.24 87.96 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.761 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.402 ' N ' ' O ' ' A' ' 48' ' ' LYS . 7.7 p . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.943 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.115 0 CA-C-O 120.714 0.293 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.66 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 1.6 p -49.11 128.01 15.56 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.639 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.487 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.6 OUTLIER 60.45 135.84 0.01 OUTLIER 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.98 0.419 . . . . 0.0 111.386 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.552 ' NE ' ' HE2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -99.26 31.51 3.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.696 0.76 . . . . 0.0 109.136 178.667 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 136.72 5.7 1.9 Allowed Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 114.484 -1.235 . . . . 0.0 111.093 -179.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.4 t80 57.1 85.58 0.08 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.656 -0.272 . . . . 0.0 110.585 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.05 55.0 0.65 Allowed 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.639 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 0.4 OUTLIER -112.08 159.23 18.7 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 177.891 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.462 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -150.8 161.5 42.54 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -178.227 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.516 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 94.78 58.45 1.18 Allowed Glycine 0 C--N 1.339 0.713 0 CA-C-N 115.309 -0.859 . . . . 0.0 113.349 179.077 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.516 ' C ' ' O ' ' A' ' 14' ' ' GLY . 30.7 mttt 14.39 88.52 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.109 0.563 . . . . 0.0 112.053 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.1 t 52.56 58.72 5.09 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.336 0.588 . . . . 0.0 109.716 -178.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.692 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -79.22 155.94 28.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.539 -178.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.616 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.5 m -57.31 -57.21 13.61 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.476 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -51.58 -21.8 2.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.648 179.586 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.692 ' H ' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -77.66 -52.87 8.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.439 179.639 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.616 ' HG2' ' O ' ' A' ' 18' ' ' THR . 7.4 pt-20 -64.13 -30.31 71.39 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.311 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.35 -34.52 55.14 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.05 179.188 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.535 ' HG3' HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -52.53 -63.79 1.03 Allowed 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.661 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.58 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 1.1 m -51.91 -53.41 41.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.264 179.182 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.538 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -52.04 -40.98 61.91 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -178.748 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.51 -39.98 85.15 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -178.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.539 HD22 ' HD3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -83.69 -48.31 10.29 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.903 -179.206 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.552 ' HE2' ' NE ' ' A' ' 8' ' ' ARG . 1.7 m-85 -122.99 111.79 30.63 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.027 -179.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -81.25 44.37 1.73 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.619 2.213 . . . . 0.0 111.982 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.522 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 8.8 mmt180 -76.59 -175.49 3.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.869 -179.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -107.05 -13.94 20.17 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.257 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -121.96 12.03 10.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.235 0.54 . . . . 0.0 110.376 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.58 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 18.1 t -99.99 69.99 1.56 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.785 179.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.524 HG23 ' N ' ' A' ' 35' ' ' CYS . 12.3 t -122.57 -132.93 0.28 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.428 -178.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.524 ' N ' HG23 ' A' ' 34' ' ' THR . 0.0 OUTLIER -97.49 137.7 36.04 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.132 0.491 . . . . 0.0 111.302 -179.271 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.514 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.6 OUTLIER -145.85 112.14 5.78 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.496 179.816 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -123.87 156.06 36.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.95 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.4 m -100.21 -74.33 0.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.755 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.38 38.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.96 -173.59 3.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.814 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -82.48 -17.71 44.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.847 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.47 140.12 47.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.373 0.606 . . . . 0.0 111.579 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.639 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 7.7 p-80 -151.22 -172.51 4.23 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.93 -1.032 . . . . 0.0 108.937 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.596 ' HB2' ' HE2' ' A' ' 12' ' ' LYS . 77.8 p -153.91 -146.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.701 177.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.487 ' H ' HG22 ' A' ' 7' ' ' THR . 5.1 m -109.11 177.39 4.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.036 0.446 . . . . 0.0 111.55 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -149.5 47.2 0.96 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.853 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.516 ' HB3' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -58.82 -24.91 62.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.306 179.414 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.66 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -127.34 141.46 51.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.653 -179.679 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.16 91.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.962 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 25.7 p . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.945 -179.879 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 ptt180 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.906 0.384 . . . . 0.0 111.462 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.539 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER -49.66 139.85 12.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.227 179.685 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.827 ' H ' ' HB2' ' A' ' 45' ' ' CYS . 0.6 OUTLIER 59.84 153.06 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.366 0.603 . . . . 0.0 112.352 179.237 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.543 ' H ' ' HZ3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -99.73 34.74 2.17 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.401 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.3 14.61 8.19 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.762 -178.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 60.78 84.15 0.13 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.527 -0.336 . . . . 0.0 110.489 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.71 53.1 0.59 Allowed 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.672 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -110.99 154.01 24.75 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 178.239 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -148.96 155.81 41.36 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -177.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.494 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 102.85 47.95 1.31 Allowed Glycine 0 C--N 1.338 0.663 0 CA-C-N 115.27 -0.877 . . . . 0.0 113.199 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.46 ' N ' ' HE1' ' A' ' 43' ' ' HIS . 1.8 mmtp 27.28 83.12 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.815 0.34 . . . . 0.0 111.525 -179.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.415 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 52.36 52.59 13.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.196 0.522 . . . . 0.0 110.504 -179.109 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.563 ' HB ' ' HG2' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -75.62 154.22 36.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.635 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.589 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -51.72 -55.43 19.67 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.659 179.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -50.24 -25.66 3.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.403 -179.698 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.563 ' HG2' ' HB ' ' A' ' 17' ' ' THR . 3.6 mm-40 -80.03 -49.45 11.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.486 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.589 ' HG2' ' HA ' ' A' ' 18' ' ' THR . 7.3 pt-20 -65.94 -23.01 66.53 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 178.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.24 -38.49 35.46 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.619 178.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.624 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -53.73 -51.0 64.72 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.53 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.569 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 3.3 m -67.99 -33.68 75.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.044 -0.98 . . . . 0.0 112.198 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.541 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -77.72 -72.25 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.08 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.424 ' OG1' HD12 ' A' ' 27' ' ' LEU . 81.9 p -48.14 -39.65 21.29 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -179.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.624 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.7 mp -85.49 -38.44 18.58 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.771 -179.193 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.542 ' OH ' ' HD2' ' A' ' 8' ' ' ARG . 0.2 OUTLIER -116.14 105.36 51.03 Favored Pre-proline 0 CA--C 1.529 0.164 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.399 -178.558 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -79.91 69.85 7.76 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.181 1.921 . . . . 0.0 111.153 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.437 ' HA ' ' HE ' ' A' ' 30' ' ' ARG . 1.6 mmp_? -109.45 -176.42 3.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.424 0.63 . . . . 0.0 112.293 -178.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -118.54 -24.88 3.03 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 114.986 -1.007 . . . . 0.0 111.27 179.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.72 12.73 24.01 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.085 0.469 . . . . 0.0 110.285 179.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.569 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 32.1 t -101.13 145.39 28.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.364 179.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.49 HG23 ' N ' ' A' ' 35' ' ' CYS . 12.2 t -179.28 -147.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.011 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.49 ' N ' HG23 ' A' ' 34' ' ' THR . 0.5 OUTLIER -97.95 139.79 33.26 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.977 0.418 . . . . 0.0 111.215 -179.567 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.458 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.6 OUTLIER -139.04 111.73 7.72 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.606 179.822 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.407 ' HA ' ' HB3' ' A' ' 43' ' ' HIS . 23.8 t70 -126.19 158.67 35.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.026 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.4 m -117.55 -80.97 0.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.703 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.86 60.88 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.735 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.465 ' O ' ' HB3' ' A' ' 41' ' ' ASN . 5.7 mtm -150.07 14.42 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.31 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.465 ' HB3' ' O ' ' A' ' 40' ' ' MET . 50.4 t30 74.93 -32.35 0.22 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.18 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.413 ' H ' ' C ' ' A' ' 40' ' ' MET . 0.1 OUTLIER -100.24 143.89 29.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.227 0.537 . . . . 0.0 110.886 179.397 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.672 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 2.8 p-80 -150.47 -174.77 4.86 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.367 -179.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.488 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 77.7 p -154.12 -146.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.976 -0.289 . . . . 0.0 110.455 177.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.827 ' HB2' ' H ' ' A' ' 7' ' ' THR . 34.5 m -104.34 171.54 7.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.02 0.438 . . . . 0.0 111.413 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -150.63 43.24 0.82 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.412 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.543 ' HB3' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -62.66 -23.77 67.28 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.323 0.582 . . . . 0.0 109.883 179.174 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.539 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -132.43 136.14 46.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.532 -179.879 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.5 94.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.118 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 20.7 p . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.941 -179.956 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.748 0.308 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.756 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 12.4 p -49.51 127.4 15.36 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.009 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.87 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.6 OUTLIER 59.76 153.93 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.303 0.573 . . . . 0.0 112.325 179.414 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.416 ' NH1' ' HD2' ' A' ' 23' ' ' LYS . 11.7 mtp-105 -103.43 29.73 5.45 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 178.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.38 17.72 4.31 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.007 -178.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.4 t80 61.49 93.26 0.05 OUTLIER 'General case' 0 C--O 1.231 0.118 0 CA-C-N 115.716 -0.242 . . . . 0.0 110.84 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.01 52.35 0.27 Allowed 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.815 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -112.75 157.56 21.17 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 177.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.475 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.1 OUTLIER -148.83 155.39 40.85 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -178.243 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.536 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 95.75 59.68 1.06 Allowed Glycine 0 C--N 1.341 0.858 0 CA-C-N 115.174 -0.921 . . . . 0.0 113.421 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.508 ' N ' ' CE1' ' A' ' 43' ' ' HIS . 3.5 mttp 19.94 84.09 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 122.978 0.511 . . . . 0.0 111.932 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.413 ' H ' ' CD2' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 49.3 55.76 8.85 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.551 0.691 . . . . 0.0 109.834 -178.516 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.55 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.6 OUTLIER -74.12 159.25 32.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.783 -1.099 . . . . 0.0 111.509 -179.103 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.585 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.1 m -57.12 -49.95 74.31 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.322 179.287 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.523 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 0.2 OUTLIER -54.86 -24.83 24.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.554 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.815 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -85.91 -41.23 15.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.623 179.267 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.585 ' HG2' ' HA ' ' A' ' 18' ' ' THR . 5.2 pt-20 -65.24 -34.19 77.78 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.089 179.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.625 ' HG3' ' H ' ' A' ' 23' ' ' LYS . 1.6 pp20? -72.07 -52.05 18.7 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 178.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.625 ' H ' ' HG3' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -38.77 -44.78 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.887 178.548 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 45.0 m -70.37 -45.54 65.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.244 -0.889 . . . . 0.0 112.718 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.483 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -72.31 -65.38 0.79 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.793 0.33 . . . . 0.0 111.83 -178.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.467 ' OG1' HD12 ' A' ' 27' ' ' LEU . 46.3 p -49.42 -44.45 45.36 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -179.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.613 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 6.2 mp -85.76 -40.4 16.12 Favored 'General case' 0 CA--C 1.528 0.121 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -178.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.515 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -111.4 114.13 53.21 Favored Pre-proline 0 CA--C 1.531 0.25 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.499 -178.337 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -89.03 89.76 0.4 Allowed 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 122.771 2.314 . . . . 0.0 111.541 178.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -139.28 -178.89 5.57 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.348 0.594 . . . . 0.0 112.263 -178.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.23 -32.13 2.66 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.144 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.41 15.09 28.97 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.352 0.596 . . . . 0.0 109.813 179.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.521 ' HB2' ' HB3' ' A' ' 47' ' ' CYS . 35.0 t -103.11 137.23 41.56 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.256 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.447 HG23 ' N ' ' A' ' 35' ' ' CYS . 6.7 t -177.24 -155.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.146 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.447 ' N ' HG23 ' A' ' 34' ' ' THR . 2.7 p -96.48 128.33 43.31 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 121.259 0.552 . . . . 0.0 111.086 -179.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.436 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 4.5 t -137.68 126.54 24.03 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.341 -179.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.474 ' HA ' ' HB3' ' A' ' 43' ' ' HIS . 1.8 p30 -119.57 164.95 15.07 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.597 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.5 m -101.3 -72.75 0.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.694 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.36 37.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.448 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 14.3 mtt -140.57 -158.01 0.82 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.603 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -92.22 -27.04 17.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.043 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.22 141.62 35.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.518 0.675 . . . . 0.0 111.638 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.639 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 2.9 p-80 -151.35 -174.12 4.72 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.768 -1.106 . . . . 0.0 108.748 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.596 ' HB2' ' HE2' ' A' ' 12' ' ' LYS . 90.9 p -154.51 -143.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.132 177.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.87 ' H ' HG22 ' A' ' 7' ' ' THR . 0.1 OUTLIER -101.09 170.62 8.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.065 0.46 . . . . 0.0 111.99 -179.342 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -150.79 33.69 0.61 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.393 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.521 ' HB3' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -57.44 -25.17 59.23 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.383 0.611 . . . . 0.0 109.935 179.096 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.756 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -133.22 136.18 45.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.398 -179.799 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.06 94.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.066 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 48' ' ' LYS . 29.7 p . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.93 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.416 ' HE ' ' HB2' ' A' ' 5' ' ' ARG . 7.1 ttm180 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.909 0.385 . . . . 0.0 111.02 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.453 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 1.6 p -57.57 136.33 56.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.243 179.86 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.833 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.6 OUTLIER 58.5 165.67 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.3 0.571 . . . . 0.0 112.364 179.084 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.712 HH11 ' HD2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -107.58 23.56 14.26 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 177.976 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.21 20.25 2.5 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 114.142 -1.39 . . . . 0.0 110.926 -178.367 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.439 ' HD1' ' OG ' ' A' ' 44' ' ' SER . 51.7 t80 63.29 88.66 0.1 Allowed 'General case' 0 C--O 1.231 0.107 0 CA-C-N 115.601 -0.3 . . . . 0.0 110.449 -179.589 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.536 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -158.56 52.0 0.41 Allowed 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -179.611 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.794 ' HE2' ' HG2' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -111.98 150.5 30.48 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 177.398 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -142.86 153.27 43.0 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 -177.415 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.492 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 108.78 36.73 2.16 Favored Glycine 0 C--N 1.338 0.693 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.919 179.354 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.511 ' N ' ' CE1' ' A' ' 43' ' ' HIS . 5.5 mttt 33.96 86.24 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.008 0.432 . . . . 0.0 111.133 -179.028 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.421 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 49.28 55.62 9.06 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.249 -178.194 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.582 ' HB ' ' HG2' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -81.24 153.7 27.01 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.631 -179.831 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.563 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.9 m -52.0 -59.28 4.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.876 179.693 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.16 -22.92 1.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.523 -179.513 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.696 ' HB3' ' HB3' ' A' ' 12' ' ' LYS . 9.7 mm-40 -84.05 -48.14 10.21 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.861 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.563 ' HG2' ' HA ' ' A' ' 18' ' ' THR . 1.4 pt-20 -62.87 -29.64 70.9 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.878 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.459 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -78.07 -40.24 39.16 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.476 179.156 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.794 ' HG2' ' HE2' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -49.85 -56.9 8.67 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.746 0.784 . . . . 0.0 109.15 178.766 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.558 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -66.54 -29.8 69.96 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.756 -1.111 . . . . 0.0 111.236 179.588 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.548 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -72.13 -77.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.205 -0.452 . . . . 0.0 112.094 -179.522 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.9 p -48.98 -31.74 7.97 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.754 0.649 . . . . 0.0 112.754 -178.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.581 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 4.6 mp -85.41 -34.51 21.69 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.294 -179.503 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.64 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -120.32 106.08 40.99 Favored Pre-proline 0 CA--C 1.531 0.237 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.805 -179.236 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -82.82 90.05 1.08 Allowed 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.373 2.049 . . . . 0.0 112.058 179.451 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -141.51 -173.17 3.69 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.261 0.553 . . . . 0.0 111.996 -179.067 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -107.28 -49.95 0.84 Allowed Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.143 178.79 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.491 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 27.7 mm-40 -82.61 12.54 4.54 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.535 0.683 . . . . 0.0 109.505 178.687 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.64 ' SG ' ' HB2' ' A' ' 28' ' ' TYR . 12.4 t -105.02 116.96 32.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.803 -1.089 . . . . 0.0 110.499 -179.571 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.49 HG23 ' N ' ' A' ' 35' ' ' CYS . 14.0 t -167.37 -138.26 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.419 -179.571 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.49 ' N ' HG23 ' A' ' 34' ' ' THR . 13.6 t -98.17 137.35 37.07 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 121.826 -0.547 . . . . 0.0 111.314 -179.546 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.523 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -136.64 105.21 5.8 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.583 179.848 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.415 ' HB2' ' CG ' ' A' ' 43' ' ' HIS . 1.4 t70 -130.96 114.94 15.85 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.783 -179.914 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.2 t -150.74 14.27 0.74 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.924 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -110.28 -75.5 0.62 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.196 -179.641 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.3 ttm -150.42 -150.92 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.392 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -59.78 -19.67 51.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.712 179.488 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.22 140.63 37.56 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.39 0.614 . . . . 0.0 111.575 179.822 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.691 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 7.2 p-80 -151.2 -176.04 5.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.47 -179.76 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.608 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 90.2 p -154.88 -145.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 121.082 -0.247 . . . . 0.0 110.393 177.352 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.833 ' H ' HG22 ' A' ' 7' ' ' THR . 44.8 t -113.79 171.03 7.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.547 0.213 . . . . 0.0 110.791 179.53 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -150.38 48.17 0.89 Allowed 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -179.635 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.52 ' HB3' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -59.88 -30.25 68.87 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.159 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.453 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -121.29 137.68 54.58 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.234 -1.348 . . . . 0.0 110.118 179.619 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.6 92.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.049 -179.829 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.415 ' N ' ' O ' ' A' ' 48' ' ' LYS . 31.8 p . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.885 -179.563 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.091 0 CA-C-O 120.483 0.183 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.822 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 25.4 p -46.51 114.18 0.77 Allowed 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.377 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.74 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.4 OUTLIER 59.7 147.83 0.01 OUTLIER 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.416 0.627 . . . . 0.0 112.634 179.367 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.411 HH11 ' HB2' ' A' ' 8' ' ' ARG . 0.1 OUTLIER -99.57 33.3 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 177.716 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.17 38.44 4.31 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 110.074 -1.21 . . . . 0.0 110.074 -177.694 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.544 ' HE1' ' HA ' ' A' ' 43' ' ' HIS . 0.2 OUTLIER 65.03 81.44 0.21 Allowed 'General case' 0 CA--C 1.521 -0.14 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -178.154 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.525 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -130.99 41.87 3.3 Favored 'General case' 0 N--CA 1.457 -0.104 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 -177.699 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.839 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 3.3 mptt -132.47 154.86 49.48 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.292 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.456 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -151.82 157.0 41.33 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -178.534 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 95.2 56.22 1.3 Allowed Glycine 0 C--N 1.338 0.676 0 CA-C-N 115.619 -0.718 . . . . 0.0 113.481 179.088 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 14' ' ' GLY . 1.2 mttp 21.93 86.66 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 122.93 0.492 . . . . 0.0 111.835 179.896 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 51.29 64.35 1.88 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.401 0.619 . . . . 0.0 110.109 -178.655 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.456 ' HB ' ' O ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -83.08 153.09 25.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.008 -179.425 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.8 m -54.26 -56.93 13.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.874 0.368 . . . . 0.0 110.254 179.356 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -52.19 -20.61 2.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.904 -179.937 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.839 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -80.52 -50.41 10.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.388 179.68 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.712 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 3.4 pt-20 -61.0 -38.94 87.82 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.226 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.58 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -68.87 -41.15 78.79 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.293 179.174 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.506 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -49.8 -40.25 41.09 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.784 0.802 . . . . 0.0 108.953 178.718 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 61.0 m -72.3 -34.86 68.44 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 114.43 -1.259 . . . . 0.0 112.015 -179.832 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.712 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 9.6 mmpt? -73.96 -63.07 1.29 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.81 0.338 . . . . 0.0 111.761 -179.219 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.6 p -55.03 -43.68 73.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.487 -178.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.506 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 6.2 mp -86.02 -40.14 16.1 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -178.55 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.502 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.3 OUTLIER -112.36 112.29 51.97 Favored Pre-proline 0 CA--C 1.534 0.344 0 C-N-CA 120.671 -0.412 . . . . 0.0 112.077 -178.202 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -89.01 90.24 0.4 Allowed 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.695 2.263 . . . . 0.0 111.632 178.854 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.693 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 4.1 mmt180 -142.17 -174.28 4.06 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.404 0.621 . . . . 0.0 112.265 -178.916 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -113.27 -35.73 1.58 Allowed Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.046 178.692 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.434 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 0.6 OUTLIER -96.04 14.72 22.82 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.382 0.611 . . . . 0.0 109.65 178.788 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.693 ' HB2' ' HB2' ' A' ' 30' ' ' ARG . 15.4 t -99.66 133.05 44.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.097 179.896 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.52 HG23 ' N ' ' A' ' 35' ' ' CYS . 11.5 t -176.11 -144.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.123 -179.337 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.52 ' N ' HG23 ' A' ' 34' ' ' THR . 0.7 OUTLIER -97.58 135.68 39.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.134 0.493 . . . . 0.0 111.423 -179.323 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.516 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 3.2 t -141.71 123.45 15.18 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.089 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.441 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 19.5 t70 -125.05 155.89 39.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.749 179.901 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.12 -73.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.877 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.03 40.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.669 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.9 mtm -145.83 -179.13 6.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -72.63 -30.79 64.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 -179.86 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.78 140.22 34.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.332 0.587 . . . . 0.0 111.742 -179.769 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.631 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 8.8 p-80 -150.58 -177.48 6.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.153 179.839 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.692 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 25.3 p -153.65 -142.97 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.4 178.108 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.74 ' H ' HG22 ' A' ' 7' ' ' THR . 0.1 OUTLIER -99.77 176.68 5.37 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -178.21 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.481 ' HB2' ' CB ' ' A' ' 36' ' ' SER . 4.5 t70 -151.83 25.45 0.65 Allowed 'General case' 0 C--O 1.231 0.109 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.145 179.569 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.471 ' HB3' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -54.26 -24.64 19.59 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.371 0.605 . . . . 0.0 109.976 179.415 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.822 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.3 OUTLIER -133.86 128.97 35.74 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.377 -179.76 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.31 85.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.503 179.807 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 48' ' ' LYS . 6.8 p . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.959 -179.534 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.373 0.13 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.748 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 20.1 p -40.36 111.0 0.17 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.231 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.806 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.8 OUTLIER 62.02 150.16 0.02 OUTLIER 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.239 0.542 . . . . 0.0 111.691 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.641 ' H ' ' HZ3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -99.39 35.2 2.0 Allowed 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.752 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.76 18.48 6.93 Favored Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.969 -178.74 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.417 ' HA ' ' CB ' ' A' ' 44' ' ' SER . 1.1 t80 58.93 78.03 0.28 Allowed 'General case' 0 N--CA 1.457 -0.084 0 CA-C-N 115.668 -0.266 . . . . 0.0 110.336 -179.569 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.48 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -149.09 54.98 0.98 Allowed 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -179.266 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.699 ' HE3' ' HG2' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -112.46 157.47 21.05 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.35 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.411 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -145.7 158.82 43.81 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -178.398 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.533 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 92.27 64.07 1.13 Allowed Glycine 0 C--N 1.337 0.622 0 CA-C-N 115.344 -0.844 . . . . 0.0 112.827 179.739 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.533 ' C ' ' O ' ' A' ' 14' ' ' GLY . 14.1 mtmt 5.51 91.51 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.309 0.644 . . . . 0.0 112.087 -179.561 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.0 t 54.71 68.43 0.86 Allowed 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.532 -178.329 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.663 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.6 OUTLIER -93.34 158.15 15.88 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.213 -178.775 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.578 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 4.6 m -55.84 -71.89 0.08 Allowed 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.123 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.486 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -42.29 -23.72 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.722 -179.924 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.669 ' OE1' ' HB2' ' A' ' 35' ' ' CYS . 2.0 tm-20 -77.38 -64.5 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.266 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.578 ' HG2' ' O ' ' A' ' 18' ' ' THR . 8.7 pt-20 -52.16 -30.82 28.59 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.677 0.751 . . . . 0.0 109.007 178.41 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.37 -42.51 53.88 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.295 179.366 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.699 ' HG2' ' HE3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -45.6 -47.55 14.66 Favored 'General case' 0 CA--C 1.519 -0.235 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 178.57 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.599 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 2.9 m -59.86 -54.57 44.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.641 -1.163 . . . . 0.0 111.027 178.631 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.594 ' HE3' ' HB2' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -65.38 -78.78 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -179.19 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.451 ' OG1' HD12 ' A' ' 27' ' ' LEU . 73.7 p -34.71 -43.41 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -178.848 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.572 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.4 mp -86.01 -33.91 20.93 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.734 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.562 ' OH ' ' HD2' ' A' ' 8' ' ' ARG . 0.3 OUTLIER -121.84 132.39 24.25 Favored Pre-proline 0 CA--C 1.529 0.148 0 C-N-CA 120.418 -0.513 . . . . 0.0 112.001 -177.986 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -86.59 62.85 4.66 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.691 2.261 . . . . 0.0 110.174 177.589 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.856 ' HD2' ' HB3' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -84.23 -170.69 3.22 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -177.537 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -147.35 -27.68 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 114.061 -1.427 . . . . 0.0 111.031 179.204 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -112.68 19.51 17.38 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.084 0.469 . . . . 0.0 110.24 179.28 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.856 ' HB3' ' HD2' ' A' ' 30' ' ' ARG . 7.2 t -105.03 172.05 6.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.958 -179.745 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.624 ' HB ' ' O ' ' A' ' 33' ' ' CYS . 15.1 t 163.67 -142.95 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.346 0 O-C-N 123.892 0.745 . . . . 0.0 110.291 179.323 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.669 ' HB2' ' OE1' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -96.8 125.47 41.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.995 0.426 . . . . 0.0 110.641 -179.899 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.42 111.64 10.92 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.193 -179.701 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.483 ' HA ' ' HB3' ' A' ' 43' ' ' HIS . 0.9 OUTLIER -109.28 164.8 12.14 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.638 179.803 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 m -111.57 -75.45 0.61 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.4 30.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.634 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 9.9 mtp -141.84 178.87 7.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.766 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -71.78 -18.21 62.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.64 142.06 38.18 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.367 0.603 . . . . 0.0 111.411 179.749 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.622 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.9 p-80 -151.25 -170.1 3.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.187 -179.806 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.551 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 87.7 p -153.7 -148.03 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.964 177.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.806 ' H ' HG22 ' A' ' 7' ' ' THR . 57.8 m -105.0 178.72 4.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.001 0.429 . . . . 0.0 111.568 -179.49 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -150.44 44.56 0.87 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.848 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.407 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 1.8 m -65.3 -21.8 66.76 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 121.46 0.648 . . . . 0.0 110.524 179.628 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.748 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -135.2 152.68 51.8 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.625 -179.263 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.9 p -75.99 39.44 0.18 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.431 ' H ' ' C ' ' A' ' 48' ' ' LYS . 5.4 p . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.882 179.859 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.649 0.261 . . . . 0.0 110.996 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.727 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 16.5 p -50.87 141.93 12.53 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.84 179.776 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.777 ' H ' ' HB2' ' A' ' 45' ' ' CYS . 0.9 OUTLIER 61.0 149.9 0.02 OUTLIER 'General case' 0 C--O 1.231 0.087 0 CA-C-O 121.41 0.624 . . . . 0.0 112.192 179.665 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.784 ' HD2' HD12 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -99.88 32.51 2.88 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 178.466 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.6 18.69 8.8 Favored Glycine 0 N--CA 1.444 -0.806 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.554 -178.093 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.441 ' HA ' ' CB ' ' A' ' 44' ' ' SER . 0.4 OUTLIER 63.85 86.8 0.12 Allowed 'General case' 0 C--O 1.231 0.114 0 CA-C-N 115.383 -0.408 . . . . 0.0 110.458 -179.403 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.43 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -152.9 47.89 0.71 Allowed 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -179.527 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.67 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 1.8 mptt -110.31 154.49 23.41 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 177.758 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.401 ' H ' ' CD ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -149.97 154.99 39.16 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 -177.945 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.505 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 104.78 45.32 1.41 Allowed Glycine 0 C--N 1.336 0.556 0 CA-C-N 115.12 -0.945 . . . . 0.0 113.27 179.28 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.469 ' N ' ' HE1' ' A' ' 43' ' ' HIS . 0.0 OUTLIER 30.17 81.01 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 120.922 0.392 . . . . 0.0 111.173 -179.738 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.453 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 52.99 56.13 7.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.272 -178.623 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.568 ' HB ' ' HG2' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -78.83 153.77 30.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.756 -179.69 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.466 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -52.15 -54.79 26.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.758 179.631 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -51.1 -24.99 4.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.285 -179.718 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.568 ' HG2' ' HB ' ' A' ' 17' ' ' THR . 5.9 mm-40 -80.29 -47.9 13.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.691 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.53 ' HG3' ' N ' ' A' ' 22' ' ' GLU . 2.8 pt-20 -63.42 -35.08 79.23 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.793 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.53 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -66.33 -41.46 89.57 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.131 178.503 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.646 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -51.75 -65.64 0.52 Allowed 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.393 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.55 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 13.4 m -49.55 -28.76 5.94 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.608 -0.723 . . . . 0.0 112.272 179.688 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -73.52 0.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -179.619 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.5 p -59.06 -21.45 59.16 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -179.131 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.784 HD12 ' HD2' ' A' ' 8' ' ' ARG . 4.5 mm? -85.34 -43.32 13.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.777 0.322 . . . . 0.0 111.19 -179.839 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.494 ' CD2' ' HA ' ' A' ' 24' ' ' CYS . 1.5 m-85 -131.53 111.86 15.15 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.307 -178.246 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -80.92 59.93 7.67 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.52 2.147 . . . . 0.0 111.636 179.384 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.488 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -101.8 166.19 10.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.99 -178.945 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -95.85 -13.29 50.64 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 178.261 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -119.75 16.86 12.74 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.031 0.443 . . . . 0.0 110.277 179.404 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 33.7 t -99.69 131.76 45.48 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.335 179.724 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.515 HG23 ' N ' ' A' ' 35' ' ' CYS . 6.6 t -172.84 -150.89 0.05 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.977 -179.177 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.515 ' N ' HG23 ' A' ' 34' ' ' THR . 0.6 OUTLIER -97.19 125.59 41.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.074 0.464 . . . . 0.0 111.158 -179.449 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.431 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 14.3 t -126.81 130.76 50.88 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.744 179.83 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -147.27 165.1 31.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.685 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.7 t -109.19 -70.46 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.646 179.83 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -169.63 49.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.544 179.848 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.3 mtt -141.0 -176.44 4.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -82.18 -25.18 34.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.042 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.34 143.18 34.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.504 0.669 . . . . 0.0 111.97 -179.769 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.67 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 2.8 p-80 -150.97 -174.22 4.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.849 -1.069 . . . . 0.0 108.673 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.565 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 78.8 p -154.16 -137.39 0.07 Allowed 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.216 177.516 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.777 ' HB2' ' H ' ' A' ' 7' ' ' THR . 59.6 m -110.42 173.5 6.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.139 0.495 . . . . 0.0 112.031 -178.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -150.59 37.24 0.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.584 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -57.33 -23.35 48.25 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.724 179.829 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.727 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -142.34 164.38 30.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.249 -179.451 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.9 p -78.65 48.14 0.78 Allowed 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 114.53 -1.214 . . . . 0.0 110.996 -179.783 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.846 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.465 ' HB3' ' HE ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.806 0.336 . . . . 0.0 111.116 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.534 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 1.3 p -51.77 124.61 12.88 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.936 179.767 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.92 ' HB ' ' H ' ' A' ' 45' ' ' CYS . 10.4 t 45.96 164.97 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 179.795 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.3 mtp85 -99.6 47.34 0.95 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.382 179.356 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.32 38.55 7.16 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 -178.438 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.555 ' HA ' ' CB ' ' A' ' 44' ' ' SER . 11.5 t80 65.35 94.72 0.06 Allowed 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.3 -0.45 . . . . 0.0 109.914 -179.145 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.516 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -148.24 51.75 1.02 Allowed 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -178.23 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.819 ' HD3' ' HA ' ' A' ' 44' ' ' SER . 0.0 OUTLIER -134.75 151.79 51.25 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.875 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.487 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.3 OUTLIER -151.01 154.6 37.37 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -178.449 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.499 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 100.27 53.29 1.09 Allowed Glycine 0 C--N 1.34 0.79 0 CA-C-N 115.85 -0.613 . . . . 0.0 113.626 179.168 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.502 ' N ' ' HE1' ' A' ' 43' ' ' HIS . 0.0 OUTLIER 25.66 81.94 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.024 0.44 . . . . 0.0 111.775 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.42 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.6 OUTLIER 52.98 52.74 13.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.436 0.636 . . . . 0.0 109.943 -178.771 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.487 ' HB ' ' O ' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -73.46 158.6 34.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.05 -179.549 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.537 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.3 m -53.71 -53.6 49.78 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.217 179.266 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.451 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -50.64 -23.24 2.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.099 179.925 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.686 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -79.35 -52.43 8.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.198 179.461 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 18' ' ' THR . 13.4 pt-20 -63.18 -24.06 67.71 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.64 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.13 -44.54 21.81 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.776 179.001 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.644 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -46.15 -43.6 15.17 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 121.551 0.691 . . . . 0.0 109.262 178.328 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.558 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 66.4 m -71.53 -45.04 63.47 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.669 -1.15 . . . . 0.0 112.878 -179.464 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.507 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -70.1 -60.24 2.41 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -178.323 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.8 p -61.59 -46.05 91.52 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -178.702 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.644 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 6.2 mp -86.07 -37.27 19.03 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -178.238 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.558 ' CD2' ' HA ' ' A' ' 24' ' ' CYS . 0.2 OUTLIER -115.74 78.78 7.2 Favored Pre-proline 0 CA--C 1.531 0.233 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.897 -177.733 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -58.29 90.58 0.06 OUTLIER 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.101 1.867 . . . . 0.0 111.727 179.273 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.93 -174.54 3.81 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 121.492 0.663 . . . . 0.0 112.336 -178.912 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -115.79 -34.49 1.39 Allowed Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 114.881 -1.054 . . . . 0.0 111.189 178.818 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -100.02 14.81 29.34 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.365 0.602 . . . . 0.0 109.871 178.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.603 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 32.2 t -99.65 128.45 45.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.718 179.765 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.451 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 6.4 t -166.12 -154.73 0.2 Allowed 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.805 -178.942 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.547 ' HB2' ' HG3' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -96.21 135.35 38.14 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.344 0.592 . . . . 0.0 112.11 -178.287 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.2 t -146.42 123.81 11.65 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.539 179.78 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.24 154.5 20.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.163 -179.515 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.4 t -150.08 -37.41 0.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.606 179.845 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.508 ' HB3' ' H ' ' A' ' 40' ' ' MET . 5.3 mmtp -82.81 -133.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.722 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.508 ' H ' ' HB3' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -99.73 -104.79 0.22 Allowed 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 120.651 0.263 . . . . 0.0 110.653 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -82.4 -15.6 52.11 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.906 0.384 . . . . 0.0 110.421 179.557 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.49 ' HB ' ' CZ ' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -99.86 141.53 32.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.292 0.568 . . . . 0.0 111.092 179.626 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.579 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.7 p-80 -149.57 -176.33 5.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.192 -179.631 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.819 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 30.0 p -153.3 -158.98 0.93 Allowed 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.182 -0.607 . . . . 0.0 111.286 178.458 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.92 ' H ' ' HB ' ' A' ' 7' ' ' THR . 0.9 OUTLIER -99.66 167.31 10.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.146 0.498 . . . . 0.0 112.083 -178.638 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -150.43 41.47 0.8 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.961 179.697 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.603 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -54.56 -25.63 27.22 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.395 0.617 . . . . 0.0 109.965 179.353 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.534 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.9 OUTLIER -128.55 133.32 48.36 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.363 179.894 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.43 91.84 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.071 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 20.0 p . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.853 -179.734 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.4 ' HD2' HH11 ' A' ' 5' ' ' ARG . 38.0 ttm105 . . . . . 0 C--O 1.233 0.198 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.681 ' HA ' ' HB2' ' A' ' 47' ' ' CYS . 2.2 p -46.84 146.16 1.72 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.581 179.139 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.782 HG22 ' H ' ' A' ' 45' ' ' CYS . 1.0 OUTLIER 61.43 141.34 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.213 0.53 . . . . 0.0 111.816 179.935 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 1.033 ' HD3' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.37 45.78 0.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 179.042 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.11 11.75 15.36 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.187 -178.824 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.3 t80 57.76 79.91 0.19 Allowed 'General case' 0 C--O 1.232 0.151 0 N-CA-C 110.503 -0.184 . . . . 0.0 110.503 -179.885 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.82 55.4 0.84 Allowed 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -179.339 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.809 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 5.2 mptt -105.4 155.43 19.13 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.179 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.405 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -145.38 148.64 33.58 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.32 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.494 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 102.8 44.8 1.73 Allowed Glycine 0 C--N 1.338 0.64 0 CA-C-N 115.515 -0.766 . . . . 0.0 113.481 179.123 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.529 ' N ' ' CE1' ' A' ' 43' ' ' HIS . 0.6 OUTLIER 30.64 87.14 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 122.777 0.431 . . . . 0.0 111.589 -179.629 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.403 ' H ' ' CD2' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 49.56 48.74 21.02 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-O 121.582 0.706 . . . . 0.0 109.573 -178.564 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.537 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.6 OUTLIER -70.1 160.01 32.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.519 -179.092 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.577 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -55.73 -53.53 55.47 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.358 179.23 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -52.36 -25.88 10.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 -179.918 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.809 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -79.71 -46.97 16.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.526 179.68 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.678 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 7.5 pt-20 -64.58 -30.71 71.74 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 178.606 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.6 -45.08 69.41 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.894 -1.048 . . . . 0.0 109.421 178.58 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.709 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -50.32 -36.68 32.95 Favored 'General case' 0 C--O 1.219 -0.508 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.14 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.543 ' SG ' ' O ' ' A' ' 34' ' ' THR . 90.0 m -68.97 -37.86 79.04 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.123 -0.944 . . . . 0.0 112.305 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.678 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -81.63 -64.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 -179.107 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.1 p -51.86 -36.55 48.81 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -179.331 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.033 HD12 ' HD3' ' A' ' 8' ' ' ARG . 0.7 OUTLIER -82.83 -40.7 20.0 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.657 0.265 . . . . 0.0 111.526 -179.284 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.7 ' OH ' ' HD2' ' A' ' 8' ' ' ARG . 1.3 m-85 -129.51 134.24 26.01 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.785 -177.039 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -91.09 24.26 0.58 Allowed 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 122.921 2.414 . . . . 0.0 111.76 179.036 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.618 ' CB ' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -66.16 157.93 30.02 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -178.766 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -99.28 -19.42 21.07 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 109.396 -1.482 . . . . 0.0 109.396 177.05 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -102.85 19.08 20.01 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 114.634 -0.783 . . . . 0.0 109.507 178.77 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.618 ' HB2' ' CB ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -98.65 143.54 28.92 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.714 179.888 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.543 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 1.3 t -177.83 -169.13 0.2 Allowed 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.191 -179.115 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.444 ' N ' HG23 ' A' ' 34' ' ' THR . 1.4 p -96.04 133.17 40.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.119 0.485 . . . . 0.0 111.715 -178.682 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.558 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -139.46 127.38 22.18 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.333 -179.517 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.484 ' OD2' ' HE2' ' A' ' 15' ' ' LYS . 22.3 t70 -128.88 139.73 52.01 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.435 179.537 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.9 t -150.15 15.27 0.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.233 -179.762 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.419 ' HB3' ' H ' ' A' ' 40' ' ' MET . 0.0 OUTLIER -115.18 -100.87 0.43 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.372 -179.674 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.419 ' H ' ' HB3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -132.28 -86.22 0.47 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.917 0.389 . . . . 0.0 110.14 -179.871 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -110.42 -20.94 12.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.771 178.938 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -99.84 138.62 36.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.431 0.634 . . . . 0.0 111.072 179.634 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.603 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 5.3 p-80 -150.98 -166.62 2.59 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.95 -1.023 . . . . 0.0 108.981 -179.218 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.566 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 88.6 p -154.18 -151.49 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.422 -0.511 . . . . 0.0 111.01 177.213 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.782 ' H ' HG22 ' A' ' 7' ' ' THR . 3.8 t -99.19 174.57 6.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.366 0.603 . . . . 0.0 112.176 -179.046 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.447 ' HB2' ' HB2' ' A' ' 36' ' ' SER . 12.4 t70 -142.54 37.95 1.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.692 179.316 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.681 ' HB2' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -49.59 -27.33 4.38 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.163 179.385 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.642 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -126.1 -177.0 3.8 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.706 -179.6 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.629 ' H ' ' HE3' ' A' ' 48' ' ' LYS . 0.5 OUTLIER -80.42 49.29 1.13 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.834 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.852 -179.955 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.131 0 CA-C-O 121.038 0.446 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.623 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 7.2 p -50.48 145.43 6.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.919 -179.928 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.467 HG23 ' SG ' ' A' ' 6' ' ' CYS . 1.1 p 59.36 143.02 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 178.829 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.98 ' HD3' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.75 31.12 3.35 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 177.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.63 12.34 4.62 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 114.464 -1.244 . . . . 0.0 110.912 -178.529 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.2 t80 59.71 84.6 0.11 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.554 -0.323 . . . . 0.0 110.672 -179.737 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.02 60.34 0.47 Allowed 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -179.567 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.7 ' HE2' ' H ' ' A' ' 45' ' ' CYS . 0.4 OUTLIER -113.21 154.83 26.09 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 178.206 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.46 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -150.45 153.61 36.23 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -178.312 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.446 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 104.02 44.46 1.62 Allowed Glycine 0 C--N 1.338 0.65 0 CA-C-N 115.419 -0.81 . . . . 0.0 113.624 178.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.489 ' N ' ' HE1' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 30.59 84.49 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 122.502 0.321 . . . . 0.0 111.443 179.923 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.6 t 53.51 49.07 20.34 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.374 0.607 . . . . 0.0 109.727 -178.698 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.494 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -71.79 155.69 40.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.366 -179.217 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.584 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -53.39 -52.93 57.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.403 179.458 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -51.4 -29.2 14.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.737 -179.898 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.65 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -73.18 -49.78 26.19 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.432 179.772 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.616 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 4.9 pt-20 -65.7 -29.06 69.54 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.815 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.01 -36.88 72.61 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.066 178.518 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.657 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -55.21 -64.51 0.82 Allowed 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.454 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.683 ' SG ' ' HB3' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -49.83 -33.84 18.0 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.421 179.788 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.492 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -75.07 -83.63 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -178.878 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.5 p -47.29 -28.92 2.16 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.782 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.98 HD12 ' HD3' ' A' ' 8' ' ' ARG . 2.0 mm? -81.01 -38.1 28.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 111.058 -179.837 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.67 ' OH ' ' HD2' ' A' ' 8' ' ' ARG . 1.3 m-85 -135.2 117.1 12.37 Favored Pre-proline 0 N--CA 1.454 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.221 -177.791 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.523 ' O ' ' HD2' ' A' ' 30' ' ' ARG . 4.3 Cg_exo -78.18 85.48 1.81 Allowed 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.679 2.253 . . . . 0.0 111.842 179.533 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.552 ' HG3' ' SG ' ' A' ' 33' ' ' CYS . 18.4 mmm180 -132.3 -165.86 1.65 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.415 0.626 . . . . 0.0 112.001 -179.387 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -128.47 -26.92 0.93 Allowed Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 114.935 -1.03 . . . . 0.0 111.374 179.021 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -99.98 9.91 42.15 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.353 0.597 . . . . 0.0 110.241 179.231 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.683 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 84.4 m -101.9 136.85 41.03 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.099 179.678 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.511 HG23 ' N ' ' A' ' 35' ' ' CYS . 12.8 t -175.34 -132.68 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.749 -179.54 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.511 ' N ' HG23 ' A' ' 34' ' ' THR . 0.0 OUTLIER -98.99 140.56 32.96 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-O 121.056 0.455 . . . . 0.0 111.719 -179.147 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.468 ' CB ' ' HB2' ' A' ' 46' ' ' ASP . 6.3 t -141.6 105.36 4.72 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.428 179.401 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -110.6 154.2 24.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.85 -179.73 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.23 -75.97 0.58 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.933 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.0 tptm -169.31 30.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.597 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -141.75 176.53 8.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.955 -179.815 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -65.53 -31.32 72.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.169 -179.906 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.76 142.33 31.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.492 0.663 . . . . 0.0 111.388 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.599 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 5.1 p-80 -150.68 -168.07 3.0 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.985 -1.007 . . . . 0.0 108.906 -179.835 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.61 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 45.4 p -152.68 -174.28 4.86 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.818 177.731 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.7 ' H ' ' HE2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -99.84 127.73 45.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.437 -179.174 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.612 ' HA ' ' HB2' ' A' ' 6' ' ' CYS . 6.6 t70 -99.49 61.33 1.18 Allowed 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.262 0.554 . . . . 0.0 110.379 179.5 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.459 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 2.0 t -49.93 -31.41 12.31 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.235 179.236 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.623 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -145.48 134.55 22.69 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.323 -1.308 . . . . 0.0 110.445 -179.735 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.29 94.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.345 -179.889 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.919 -179.805 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.436 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 1.8 ptm180 . . . . . 0 CA--C 1.529 0.156 0 N-CA-C 111.38 0.141 . . . . 0.0 111.38 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.726 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 30.4 p -41.01 112.73 0.32 Allowed 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.681 ' HA ' ' HH ' ' A' ' 28' ' ' TYR . 1.6 p 57.14 135.13 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.286 0.565 . . . . 0.0 112.324 179.472 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.758 ' HD2' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.89 29.81 4.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.615 0.722 . . . . 0.0 109.157 178.889 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 135.45 7.51 1.9 Allowed Glycine 0 N--CA 1.446 -0.684 0 CA-C-N 114.613 -1.176 . . . . 0.0 111.136 -179.136 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.4 t80 57.47 86.04 0.08 Allowed 'General case' 0 C--O 1.231 0.112 0 CA-C-N 115.785 -0.208 . . . . 0.0 110.584 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.482 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -157.56 57.76 0.5 Allowed 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -179.632 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.667 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -110.16 159.01 17.74 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 177.55 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.409 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -150.6 158.47 44.19 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 -178.303 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.486 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 101.82 49.91 1.22 Allowed Glycine 0 C--N 1.34 0.769 0 CA-C-N 115.189 -0.914 . . . . 0.0 113.622 179.043 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 14' ' ' GLY . 10.9 mttt 23.29 83.8 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 122.828 0.451 . . . . 0.0 111.539 -179.914 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 23.1 t 54.85 55.19 8.09 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.306 0.574 . . . . 0.0 109.89 -178.408 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.536 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -77.13 151.54 35.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.028 -179.351 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.575 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -55.19 -52.91 61.84 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.088 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.475 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -53.02 -22.39 5.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.832 179.795 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.667 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -79.85 -49.45 11.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.254 179.51 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.658 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 5.4 pt-20 -63.7 -27.99 69.59 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 178.526 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.06 -34.17 43.96 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 114.684 -1.144 . . . . 0.0 110.356 179.313 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.739 ' HD2' ' HE ' ' A' ' 8' ' ' ARG . 2.4 ttpt -60.46 -35.39 75.76 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.238 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.566 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 2.6 m -78.24 -37.68 44.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.103 -179.587 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.545 ' HE3' ' O ' ' A' ' 33' ' ' CYS . 0.6 OUTLIER -77.03 -31.87 56.62 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.104 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.464 ' OG1' HD23 ' A' ' 27' ' ' LEU . 68.4 p -85.46 -37.6 19.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.674 -179.6 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.758 HD12 ' HD2' ' A' ' 8' ' ' ARG . 0.1 OUTLIER -85.19 -43.51 13.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.152 0.501 . . . . 0.0 110.41 -179.899 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.681 ' HH ' ' HA ' ' A' ' 7' ' ' THR . 0.2 OUTLIER -110.1 161.57 23.88 Favored Pre-proline 0 C--N 1.333 -0.143 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.561 -177.915 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -74.81 -67.35 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 122.104 1.869 . . . . 0.0 113.235 -179.754 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.556 ' O ' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -178.73 -135.96 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.935 0.398 . . . . 0.0 111.47 -178.548 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 47' ' ' CYS . . . 69.6 76.79 0.47 Allowed Glycine 0 C--N 1.336 0.579 0 N-CA-C 111.612 -0.595 . . . . 0.0 111.612 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 58.4 24.7 12.02 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -178.597 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.566 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 7.6 t -98.98 125.45 44.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.591 -179.411 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.469 HG23 ' N ' ' A' ' 35' ' ' CYS . 9.9 t 177.35 -131.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.17 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.478 ' HA ' ' OE2' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -98.05 129.25 44.9 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.955 -0.465 . . . . 0.0 110.77 179.959 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.501 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.1 OUTLIER -144.71 120.0 10.22 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.024 -179.717 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.514 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 24.9 t0 -135.05 155.51 50.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.629 179.919 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.6 t -99.92 -68.78 0.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.798 179.763 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.6 46.87 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.671 179.838 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.4 mtp -149.96 161.8 41.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.923 -179.825 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -59.52 -30.73 68.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.48 139.45 35.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.312 0.577 . . . . 0.0 111.399 179.863 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.647 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 7.1 p-80 -151.04 -173.04 4.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.466 -179.732 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.534 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 91.6 p -154.09 -148.79 0.26 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 177.524 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.581 ' H ' HG22 ' A' ' 7' ' ' THR . 2.4 m -108.46 174.44 5.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.745 0.307 . . . . 0.0 111.411 -179.873 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -142.59 39.3 1.53 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.287 -179.8 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.67 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -57.9 -22.05 46.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.6 0.714 . . . . 0.0 110.508 179.223 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.726 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -146.44 142.53 28.23 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.661 -179.288 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.45 87.23 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.848 -179.91 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 27.5 p . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.806 -179.756 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.499 ' HD3' ' HD3' ' A' ' 29' ' ' PRO . 6.1 ptm180 . . . . . 0 C--O 1.233 0.214 0 CA-C-O 120.544 0.211 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.692 ' HA ' ' SG ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -44.0 135.31 4.26 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.71 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.559 HG23 ' SG ' ' A' ' 6' ' ' CYS . 12.0 p 56.31 130.04 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 178.944 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.754 ' HD3' HD12 ' A' ' 27' ' ' LEU . 11.1 ttt-85 -101.15 31.26 3.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.293 -0.867 . . . . 0.0 108.67 178.258 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.2 5.99 4.98 Favored Glycine 0 N--CA 1.444 -0.778 0 CA-C-N 114.439 -1.255 . . . . 0.0 110.428 -178.29 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.499 ' CZ ' HG21 ' A' ' 7' ' ' THR . 2.7 m-85 61.52 76.19 0.38 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.298 -0.451 . . . . 0.0 110.86 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.585 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -156.39 76.71 0.91 Allowed 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 -179.636 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.809 ' HG3' ' HE2' ' A' ' 23' ' ' LYS . 9.1 mptt -124.79 146.99 48.95 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 177.648 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.433 ' H ' ' CD ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -145.3 156.08 43.59 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -177.744 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.468 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 105.9 37.21 2.59 Favored Glycine 0 C--N 1.337 0.625 0 CA-C-N 115.295 -0.866 . . . . 0.0 113.137 179.468 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.517 ' N ' ' CE1' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 35.84 85.6 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.85 0.357 . . . . 0.0 111.243 -179.421 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.415 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 50.53 51.97 15.78 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.438 0.637 . . . . 0.0 109.927 -178.61 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.577 ' HB ' ' HG2' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -77.12 154.98 32.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.098 -0.956 . . . . 0.0 111.014 -179.543 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.593 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 2.9 m -53.23 -56.61 15.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.824 179.538 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -49.73 -26.09 3.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.048 -179.83 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.636 ' HB3' ' HB3' ' A' ' 12' ' ' LYS . 5.0 mm-40 -81.86 -49.26 10.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.455 179.815 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.593 ' HG2' ' HA ' ' A' ' 18' ' ' THR . 5.4 pt-20 -60.42 -24.98 65.6 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.08 -1.082 . . . . 0.0 108.08 178.128 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.16 -53.88 9.88 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 114.613 -1.176 . . . . 0.0 109.048 178.291 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.809 ' HE2' ' HG3' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -42.61 -37.89 1.83 Allowed 'General case' 0 C--O 1.224 -0.27 0 CA-C-O 121.204 0.526 . . . . 0.0 110.177 178.573 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.594 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 2.8 m -72.34 -43.88 63.44 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -179.455 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.437 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -80.4 -50.85 9.55 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -178.485 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 p -69.25 -39.04 78.7 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.944 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.754 HD12 ' HD3' ' A' ' 8' ' ' ARG . 0.1 OUTLIER -85.59 -42.65 14.17 Favored 'General case' 0 C--O 1.231 0.1 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.746 -179.268 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.594 ' CD2' ' HA ' ' A' ' 24' ' ' CYS . 0.2 OUTLIER -110.53 158.55 35.14 Favored Pre-proline 0 N--CA 1.461 0.113 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.418 -178.002 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.499 ' HD3' ' HD3' ' A' ' 5' ' ' ARG . 44.2 Cg_endo -71.15 -70.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.099 1.866 . . . . 0.0 112.791 179.809 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.483 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -179.29 -136.86 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.866 0.365 . . . . 0.0 111.377 -178.965 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 47' ' ' CYS . . . 72.24 79.34 0.45 Allowed Glycine 0 C--N 1.337 0.594 0 N-CA-C 111.516 -0.634 . . . . 0.0 111.516 -179.914 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 57.53 24.18 10.04 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 -178.572 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.503 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 8.7 t -98.71 126.29 44.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.825 -179.286 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.41 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 14.6 t -179.27 -150.5 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.113 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.403 ' N ' HG23 ' A' ' 34' ' ' THR . 0.7 OUTLIER -97.81 123.01 41.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.137 0.494 . . . . 0.0 110.907 -179.656 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.564 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 22.8 t -142.95 130.68 21.44 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.372 -179.237 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -127.14 144.29 51.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.318 179.64 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.03 3.92 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.253 -179.664 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.52 -82.3 0.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.346 -179.704 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.0 -148.67 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.438 -179.619 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -51.73 -19.96 1.88 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.163 179.839 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.8 140.2 34.35 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.4 0.619 . . . . 0.0 111.5 179.895 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.692 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 6.7 p-80 -151.12 -173.59 4.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.801 -179.642 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.613 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 88.0 p -154.88 -153.96 0.48 Allowed 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.07 -0.252 . . . . 0.0 110.622 177.852 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.456 ' SG ' ' HE2' ' A' ' 12' ' ' LYS . 3.0 m -116.13 146.21 42.44 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.52 179.438 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -115.63 48.11 1.25 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.844 0.354 . . . . 0.0 111.487 -179.393 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.692 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -63.07 -22.82 67.12 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-O 121.743 0.782 . . . . 0.0 110.274 179.148 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.402 ' H ' ' CB ' ' A' ' 6' ' ' CYS . 3.0 tmtt? -150.6 151.91 33.28 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.03 -179.093 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 t -68.06 76.77 0.23 Allowed 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.661 179.59 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.138 -0.934 . . . . 0.0 110.964 -179.803 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 . . . . . 0 N--CA 1.463 0.2 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.79 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 7.5 p -62.8 134.93 57.0 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.966 179.325 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.5 p 57.33 139.88 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 178.368 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.778 ' HD2' ' HB3' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -104.88 25.12 10.85 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.844 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 141.58 -1.17 1.79 Allowed Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 114.203 -1.362 . . . . 0.0 110.694 -178.495 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.413 ' HA ' ' HZ2' ' A' ' 12' ' ' LYS . 2.0 t80 57.52 84.43 0.1 Allowed 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.475 -0.362 . . . . 0.0 111.054 179.947 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.848 ' HD3' ' HE2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -166.55 57.5 0.09 Allowed 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 179.875 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.691 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 3.8 mptt -99.77 155.52 17.59 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 177.672 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.405 ' H ' ' CD ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -150.31 156.63 41.89 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -177.839 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.475 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 110.89 37.09 1.75 Allowed Glycine 0 C--N 1.337 0.636 0 CA-C-N 115.51 -0.768 . . . . 0.0 113.176 179.25 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.476 ' N ' ' HE1' ' A' ' 43' ' ' HIS . 0.0 OUTLIER 32.35 82.04 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.803 0.335 . . . . 0.0 111.155 -179.564 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.405 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 1.9 t 56.31 53.43 8.82 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.26 0.552 . . . . 0.0 110.13 -178.712 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.581 ' HB ' ' HG2' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -83.22 151.49 25.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.672 -179.761 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.628 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 2.7 m -51.69 -57.67 8.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.758 179.648 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.32 -26.33 1.23 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.406 -179.789 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.581 ' HG2' ' HB ' ' A' ' 17' ' ' THR . 4.1 mm-40 -81.32 -51.99 7.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.658 179.82 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.628 ' HG2' ' O ' ' A' ' 18' ' ' THR . 9.8 pt-20 -57.86 -27.07 62.91 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 178.03 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.61 -54.3 10.87 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 114.426 -1.261 . . . . 0.0 109.295 178.5 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.848 ' HE2' ' HD3' ' A' ' 11' ' ' ARG . 26.7 tttp -42.68 -34.5 0.91 Allowed 'General case' 0 CA--C 1.522 -0.101 0 CA-C-O 121.607 0.717 . . . . 0.0 109.595 178.444 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.635 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 3.9 m -67.95 -54.29 19.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.961 179.77 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.464 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -75.83 -56.11 4.98 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.907 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.8 p -56.76 -48.6 77.49 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -179.064 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.778 ' HB3' ' HD2' ' A' ' 8' ' ' ARG . 0.7 OUTLIER -85.9 -40.89 15.45 Favored 'General case' 0 C--O 1.231 0.104 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -178.677 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.635 ' CD2' ' HA ' ' A' ' 24' ' ' CYS . 0.3 OUTLIER -109.83 156.24 40.18 Favored Pre-proline 0 C--N 1.333 -0.134 0 CA-C-O 120.925 0.393 . . . . 0.0 111.73 -176.855 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.78 -74.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.762 2.308 . . . . 0.0 112.755 179.877 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.555 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -178.17 -135.15 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 121.06 0.457 . . . . 0.0 112.221 -178.763 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.72 69.11 1.46 Allowed Glycine 0 C--N 1.334 0.455 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -179.348 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 62.82 29.19 16.65 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 -177.934 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.555 ' HB3' ' HA ' ' A' ' 30' ' ' ARG . 18.6 t -97.71 117.41 31.95 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.25 -179.433 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.489 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 13.5 t -177.43 -140.46 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.714 -179.667 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.462 ' N ' HG23 ' A' ' 34' ' ' THR . 0.0 OUTLIER -96.25 122.92 39.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 121.695 -0.628 . . . . 0.0 111.257 -179.584 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.4 t -137.67 119.16 14.84 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.139 179.822 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.444 ' CG ' ' HB3' ' A' ' 43' ' ' HIS . 7.5 t0 -129.85 138.77 51.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.973 -179.587 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.43 0.79 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.804 179.878 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -108.87 -85.05 0.54 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.221 -179.77 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.0 ttm -143.84 -145.77 0.18 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.697 -179.757 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -58.11 -15.13 8.41 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.428 -179.827 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.52 141.57 32.14 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.311 0.577 . . . . 0.0 111.266 179.73 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.691 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.3 p-80 -150.8 -176.53 5.56 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.378 -179.712 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.454 ' HB2' ' NZ ' ' A' ' 12' ' ' LYS . 59.5 p -153.79 -154.14 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 177.894 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 2.8 m -123.75 132.94 53.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.665 0.269 . . . . 0.0 110.765 179.885 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -99.98 56.14 0.95 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.073 0.463 . . . . 0.0 111.2 -179.67 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.772 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 0.8 OUTLIER -62.06 -17.75 58.5 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.172 179.788 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.79 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 1.8 mttt -147.64 159.24 43.99 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.681 -179.238 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.8 74.83 0.61 Allowed 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.661 179.843 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.9 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.6 m120 . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.694 0.283 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.67 166.49 0.12 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.447 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.758 ' HA ' ' HD2' ' A' ' 48' ' ' LYS . 2.1 mmt 57.16 88.6 0.05 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.224 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.71 ' HD2' ' HB2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -101.33 -88.5 0.37 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.747 179.707 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.7 mtm105 -175.69 32.17 0.0 OUTLIER 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.195 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.807 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 25.1 p -45.93 115.71 1.04 Allowed 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 120.642 0.258 . . . . 0.0 111.173 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.828 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.6 OUTLIER 58.19 161.13 0.03 OUTLIER 'General case' 0 C--O 1.231 0.104 0 CA-C-O 121.334 0.588 . . . . 0.0 111.976 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.57 ' H ' ' NZ ' ' A' ' 12' ' ' LYS . 7.8 mtp85 -107.62 30.65 6.09 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 178.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.33 18.77 5.29 Favored Glycine 0 N--CA 1.445 -0.731 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.165 -178.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 62.29 90.61 0.07 Allowed 'General case' 0 C--O 1.231 0.107 0 CA-C-N 115.679 -0.261 . . . . 0.0 110.529 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.497 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -159.85 53.78 0.36 Allowed 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -179.674 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.839 ' HE3' ' HG2' ' A' ' 23' ' ' LYS . 8.7 mptt -114.4 158.43 21.54 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.413 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -150.24 156.1 40.94 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -178.465 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.497 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 100.53 49.68 1.38 Allowed Glycine 0 C--N 1.338 0.674 0 CA-C-N 115.22 -0.9 . . . . 0.0 113.583 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.496 ' N ' ' HE1' ' A' ' 43' ' ' HIS . 0.9 OUTLIER 29.19 82.94 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 122.497 0.319 . . . . 0.0 111.475 -179.889 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.416 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 49.55 51.15 16.97 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-O 121.428 0.632 . . . . 0.0 109.921 -178.738 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.546 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -67.63 154.67 40.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.185 -179.474 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.555 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.1 m -54.6 -51.83 64.1 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.14 179.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.468 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -54.7 -25.47 27.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.39 179.759 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.697 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -78.3 -45.89 21.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.225 179.454 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.593 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 2.4 pt-20 -67.84 -25.84 65.75 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 178.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.96 -36.16 49.47 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.603 178.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.839 ' HG2' ' HE3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -56.77 -48.0 78.85 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 178.678 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.702 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 3.9 m -69.23 -33.78 73.81 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.096 -0.956 . . . . 0.0 112.307 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.503 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -80.3 -69.15 0.61 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -178.864 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.57 ' OG1' HD12 ' A' ' 27' ' ' LEU . 23.4 p -50.68 -40.7 54.44 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -179.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.639 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.6 mp -85.56 -38.94 17.93 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 120.591 -0.443 . . . . 0.0 112.014 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.51 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -113.05 112.16 50.17 Favored Pre-proline 0 CA--C 1.53 0.199 0 C-N-CA 120.671 -0.412 . . . . 0.0 111.431 -178.591 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -82.5 67.43 7.97 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.554 2.169 . . . . 0.0 111.49 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.699 ' HD3' ' H ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -108.93 169.69 8.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.339 0.59 . . . . 0.0 112.09 -178.88 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.699 ' H ' ' HD3' ' A' ' 30' ' ' ARG . . . -108.17 -19.57 8.89 Favored Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.944 178.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -112.36 15.55 20.27 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.222 0.534 . . . . 0.0 110.167 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.702 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 12.0 t -99.75 150.79 21.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.402 179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.494 HG23 ' N ' ' A' ' 35' ' ' CYS . 6.9 t 177.76 -152.52 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.985 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.494 ' N ' HG23 ' A' ' 34' ' ' THR . 0.8 OUTLIER -98.01 129.39 44.88 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-O 120.987 0.422 . . . . 0.0 110.658 -179.904 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.592 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 3.1 p -136.57 125.49 24.21 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.299 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.449 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 26.0 t70 -135.04 159.3 41.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.454 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.89 -74.57 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.712 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -168.96 43.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.687 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 34.9 mtt -139.77 -168.83 2.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.86 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -88.04 -18.29 29.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.953 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -115.08 141.35 48.12 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.434 0.635 . . . . 0.0 111.672 179.881 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.621 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 5.0 p-80 -151.51 -171.28 3.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.274 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.526 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 93.2 p -154.32 -151.23 0.35 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.979 177.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.828 ' H ' HG22 ' A' ' 7' ' ' THR . 22.0 m -100.08 175.53 5.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.889 0.376 . . . . 0.0 111.757 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -150.69 36.58 0.64 Allowed 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.607 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.592 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -59.85 -24.04 63.89 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 121.302 0.572 . . . . 0.0 110.036 179.193 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.807 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.2 OUTLIER -139.46 129.48 25.03 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.522 -179.611 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.8 t -51.05 90.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.666 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.408 ' N ' ' O ' ' A' ' 48' ' ' LYS . 20.7 p . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.305 -0.855 . . . . 0.0 110.858 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.789 0.328 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.29 -36.87 5.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.971 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.3 148.94 24.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.973 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.47 ' HD2' ' HG3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -117.42 -166.66 1.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.615 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.2 ptp180 -144.35 81.96 1.68 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.828 0.347 . . . . 0.0 111.174 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.762 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 5.4 p -49.58 132.06 21.24 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.949 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.723 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.2 OUTLIER 58.7 157.25 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.287 0.565 . . . . 0.0 112.227 179.477 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.406 ' H ' ' NZ ' ' A' ' 12' ' ' LYS . 0.7 OUTLIER -100.25 32.55 2.96 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 178.524 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.32 20.62 6.95 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.021 -178.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.435 ' HD1' ' OG ' ' A' ' 44' ' ' SER . 70.1 t80 63.44 91.69 0.07 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-N 115.609 -0.295 . . . . 0.0 110.687 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -161.58 50.6 0.23 Allowed 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.731 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -113.0 157.35 21.63 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 178.088 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.425 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -150.02 155.72 40.41 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -178.188 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.51 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 103.1 46.22 1.49 Allowed Glycine 0 C--N 1.338 0.677 0 CA-C-N 115.231 -0.895 . . . . 0.0 113.442 179.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.51 ' N ' ' CE1' ' A' ' 43' ' ' HIS . 0.0 OUTLIER 31.23 83.14 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.511 0.324 . . . . 0.0 111.168 -179.662 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.401 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 49.42 50.91 17.34 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 121.514 0.673 . . . . 0.0 109.517 -178.479 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.603 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -69.07 156.8 38.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.837 -1.074 . . . . 0.0 111.378 -179.092 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.518 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.1 m -55.25 -53.32 57.59 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.128 179.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -53.21 -25.99 16.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.608 179.837 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.731 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -79.27 -46.38 17.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.516 179.698 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.614 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 4.7 pt-20 -66.07 -26.15 67.36 Favored 'General case' 0 C--O 1.232 0.172 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.62 -40.38 34.57 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.106 -0.952 . . . . 0.0 109.875 179.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.617 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -52.33 -45.81 65.8 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 121.359 0.6 . . . . 0.0 109.77 178.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.622 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 11.0 m -66.34 -51.25 59.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.541 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.12 -65.61 0.7 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.238 0.459 . . . . 0.0 112.238 -178.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.523 ' OG1' HD12 ' A' ' 27' ' ' LEU . 26.6 p -47.53 -43.74 25.17 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -178.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.617 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.1 mp -85.29 -38.73 18.5 Favored 'General case' 0 C--O 1.231 0.113 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.726 -179.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.496 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -112.72 113.29 50.34 Favored Pre-proline 0 C--N 1.331 -0.21 0 C-N-CA 121.025 -0.27 . . . . 0.0 110.994 -178.765 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -78.42 65.15 8.57 Favored 'Trans proline' 0 N--CA 1.461 -0.436 0 C-N-CA 122.615 2.21 . . . . 0.0 111.109 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.625 ' HG3' ' HB3' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -104.28 170.65 7.78 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.373 0.606 . . . . 0.0 112.167 -178.799 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.543 ' H ' ' HD3' ' A' ' 30' ' ' ARG . . . -117.13 -17.17 5.88 Favored Glycine 0 N--CA 1.446 -0.668 0 CA-C-N 115.089 -0.959 . . . . 0.0 111.013 178.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.475 ' HG2' HH11 ' A' ' 30' ' ' ARG . 0.3 OUTLIER -112.73 12.19 19.6 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.117 0.484 . . . . 0.0 110.29 179.411 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.622 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 9.3 t -99.83 158.34 15.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.249 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.522 ' HB ' ' O ' ' A' ' 33' ' ' CYS . 9.3 t 175.83 -152.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.718 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.454 ' N ' HG23 ' A' ' 34' ' ' THR . 1.4 p -97.73 124.84 42.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.186 0.517 . . . . 0.0 110.793 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.596 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 12.1 p -129.05 124.63 35.37 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.299 -179.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -134.98 156.96 48.12 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.279 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.63 -72.6 0.68 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.947 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.5 pttm -168.5 43.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.705 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 54.7 mtm -143.52 -179.4 6.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.926 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -78.17 -18.98 54.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.045 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.96 140.88 47.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.45 0.643 . . . . 0.0 111.739 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.607 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 4.7 p-80 -151.57 -171.52 3.96 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.076 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.537 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 82.0 p -153.99 -149.66 0.29 Allowed 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.957 177.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.723 ' H ' HG22 ' A' ' 7' ' ' THR . 58.6 m -99.77 175.92 5.63 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.024 0.44 . . . . 0.0 111.613 -179.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -151.05 39.39 0.68 Allowed 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.611 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.625 ' HB3' ' HG3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -59.45 -23.93 63.11 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.295 0.569 . . . . 0.0 110.0 179.249 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.762 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.4 OUTLIER -135.69 133.33 37.99 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.1 -0.955 . . . . 0.0 110.363 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.6 t -43.35 93.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.09 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.401 ' N ' ' O ' ' A' ' 48' ' ' LYS . 29.6 p . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.891 -179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.861 0.362 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -159.04 -80.08 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.95 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.7 mtt -139.02 -168.62 2.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.745 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.951 ' HG3' ' HB2' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -117.55 -30.31 5.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.091 0.472 . . . . 0.0 109.944 179.694 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.478 ' N ' ' HG2' ' A' ' 4' ' ' LYS . 11.3 ttt-85 64.9 73.45 0.42 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.881 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.788 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 2.0 p -47.47 129.8 13.42 Favored 'General case' 0 N--CA 1.461 0.1 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.16 178.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.749 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.6 OUTLIER 58.61 168.87 0.06 Allowed 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.238 0.542 . . . . 0.0 111.509 -179.775 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.481 ' NH1' ' HD2' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -109.22 34.32 3.81 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.733 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.07 21.15 7.54 Favored Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.265 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.406 ' HD1' ' OG ' ' A' ' 44' ' ' SER . 71.6 t80 64.03 91.51 0.07 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.671 -0.265 . . . . 0.0 110.542 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.452 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -161.82 51.43 0.22 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.809 ' HG3' ' HE2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -112.66 157.54 21.12 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 177.906 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.41 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.3 OUTLIER -149.94 156.41 41.69 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -177.837 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.496 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 102.02 50.06 1.19 Allowed Glycine 0 C--N 1.339 0.695 0 CA-C-N 115.238 -0.892 . . . . 0.0 113.445 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.474 ' C ' ' O ' ' A' ' 14' ' ' GLY . 12.1 mttt 23.27 82.9 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 122.774 0.43 . . . . 0.0 111.366 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 53.81 57.25 6.21 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.515 0.674 . . . . 0.0 109.651 -178.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.637 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -76.79 157.6 31.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.404 -179.059 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.58 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -55.8 -57.56 11.5 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.94 178.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.447 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -52.28 -22.76 4.78 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.608 179.769 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.637 ' H ' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -77.78 -51.06 11.13 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.448 179.717 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.58 ' HG2' ' O ' ' A' ' 18' ' ' THR . 5.7 pt-20 -64.92 -26.73 68.43 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 179.032 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.02 -36.13 41.6 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.062 179.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.809 ' HE2' ' HG3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -55.97 -47.37 77.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.4 0.619 . . . . 0.0 109.426 178.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.683 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 3.6 m -69.43 -37.95 77.63 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.091 -0.958 . . . . 0.0 112.422 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.49 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -76.92 -67.67 0.68 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -178.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.555 ' OG1' HD12 ' A' ' 27' ' ' LEU . 30.8 p -51.31 -41.34 60.44 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -178.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.627 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.9 mp -85.36 -39.11 17.99 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.828 -179.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.515 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.3 OUTLIER -111.82 111.3 54.09 Favored Pre-proline 0 CA--C 1.529 0.173 0 C-N-CA 120.879 -0.329 . . . . 0.0 111.302 -178.599 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -80.44 65.76 8.88 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.431 2.087 . . . . 0.0 111.554 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.429 ' CB ' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -109.42 166.07 11.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.25 0.547 . . . . 0.0 112.146 -178.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -106.85 -17.92 11.3 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.907 178.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -112.62 15.06 20.15 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.061 0.458 . . . . 0.0 110.255 179.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.683 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 15.3 t -99.71 154.02 18.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.27 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.53 ' HB ' ' O ' ' A' ' 33' ' ' CYS . 7.3 t 175.22 -151.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.771 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.499 ' N ' HG23 ' A' ' 34' ' ' THR . 0.6 OUTLIER -97.54 131.68 43.92 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.984 0.421 . . . . 0.0 111.026 -179.828 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.452 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 30.7 t -134.57 125.59 27.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.78 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.408 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 23.4 t0 -135.14 156.39 49.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.821 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.8 t -103.65 -71.21 0.74 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -169.61 40.87 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.757 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.0 mtt -143.65 159.6 42.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -57.04 -27.53 61.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.125 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.16 141.53 34.85 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.419 0.628 . . . . 0.0 111.641 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.628 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 4.3 p-80 -151.21 -173.0 4.36 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.001 -0.999 . . . . 0.0 109.032 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.532 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 96.5 p -153.63 -152.96 0.44 Allowed 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.778 177.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.749 ' H ' HG22 ' A' ' 7' ' ' THR . 28.8 m -99.8 174.63 6.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.068 0.461 . . . . 0.0 111.979 -179.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -151.08 49.63 0.84 Allowed 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.306 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.951 ' HB2' ' HG3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -73.29 -21.42 60.59 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 121.381 0.61 . . . . 0.0 109.765 179.14 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.788 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 2.0 tmtt? -131.5 132.97 44.63 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.155 -179.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 t -48.11 89.1 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.629 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 48' ' ' LYS . 28.3 p . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.222 -0.894 . . . . 0.0 111.05 -179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.6 t30 . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.85 0.357 . . . . 0.0 111.276 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.6 tp -129.55 -41.83 1.34 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.976 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 7.4 mtt -123.39 -82.9 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.741 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.614 ' HB2' ' HB2' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -135.21 -34.26 0.87 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.259 179.722 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 56.63 77.26 0.26 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.451 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.571 ' HA ' ' SG ' ' A' ' 47' ' ' CYS . 27.1 p -44.67 135.71 4.79 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.05 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.883 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.6 OUTLIER 57.43 173.57 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.27 0.557 . . . . 0.0 112.228 179.253 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.594 ' HD3' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -115.17 27.99 9.0 Favored 'General case' 0 CA--C 1.518 -0.274 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.079 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.0 16.23 3.65 Favored Glycine 0 N--CA 1.446 -0.656 0 CA-C-N 114.516 -1.22 . . . . 0.0 110.977 -178.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.1 t80 64.26 92.72 0.07 Allowed 'General case' 0 C--O 1.231 0.107 0 CA-C-N 115.639 -0.28 . . . . 0.0 110.742 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.498 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -162.02 51.96 0.22 Allowed 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -179.834 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.737 ' HE3' ' HG2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -111.67 155.26 23.7 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 177.81 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.403 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -150.26 155.97 40.69 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 -177.779 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.502 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 104.73 46.28 1.31 Allowed Glycine 0 C--N 1.338 0.65 0 CA-C-N 115.267 -0.879 . . . . 0.0 113.403 179.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.49 ' N ' ' HE1' ' A' ' 43' ' ' HIS . 2.7 mttt 30.31 84.16 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 122.56 0.344 . . . . 0.0 111.311 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER 50.65 51.42 16.96 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-O 121.535 0.684 . . . . 0.0 109.701 -178.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.58 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -71.25 155.75 40.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.131 -179.234 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.561 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.5 m -53.99 -56.6 16.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.966 179.19 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.457 ' HA ' HD22 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -50.22 -25.15 3.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.962 179.872 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.676 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -77.46 -51.58 10.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.587 179.798 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.597 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 9.3 pt-20 -64.59 -28.03 69.35 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.69 -35.33 57.96 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.222 -0.899 . . . . 0.0 109.851 179.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.737 ' HG2' ' HE3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -56.37 -51.16 69.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.419 0.628 . . . . 0.0 109.328 178.822 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.468 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 2.8 m -68.44 -31.08 70.14 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.088 -0.96 . . . . 0.0 112.191 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.523 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -81.15 -71.45 0.47 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.038 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.492 ' OG1' HD12 ' A' ' 27' ' ' LEU . 47.8 p -47.79 -39.78 19.11 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.367 0.506 . . . . 0.0 112.367 -179.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.6 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.5 mp -85.52 -37.95 19.09 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 120.683 -0.407 . . . . 0.0 112.069 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.512 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -114.28 115.39 45.03 Favored Pre-proline 0 CA--C 1.529 0.157 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.277 -178.72 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -83.82 65.38 7.29 Favored 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.448 2.099 . . . . 0.0 111.095 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.576 ' HD3' ' H ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -114.54 179.06 4.06 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.404 0.621 . . . . 0.0 112.417 -178.53 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.576 ' H ' ' HD3' ' A' ' 30' ' ' ARG . . . -119.05 -34.51 1.03 Allowed Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 114.994 -1.003 . . . . 0.0 111.272 178.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.52 11.24 27.05 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.296 0.57 . . . . 0.0 109.986 179.013 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.523 ' HB2' ' HB3' ' A' ' 47' ' ' CYS . 36.5 t -105.89 148.13 27.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.367 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.493 HG23 ' N ' ' A' ' 35' ' ' CYS . 13.2 t 178.21 -146.23 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.97 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.493 ' N ' HG23 ' A' ' 34' ' ' THR . 0.2 OUTLIER -97.39 139.79 32.82 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.092 0.472 . . . . 0.0 111.297 -179.484 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -141.0 109.11 5.76 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.589 179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.493 ' HA ' ' HB3' ' A' ' 43' ' ' HIS . 2.4 p-10 -115.83 165.27 13.27 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.932 -0.577 . . . . 0.0 111.201 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 p -110.05 -87.59 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.775 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.85 59.72 0.03 OUTLIER 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.931 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -148.01 -85.66 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -169.58 -33.42 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.414 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -99.54 140.38 33.82 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.276 0.56 . . . . 0.0 111.044 179.682 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.652 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 5.9 p-80 -150.79 -176.94 5.71 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.215 -0.902 . . . . 0.0 109.343 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.612 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 94.1 p -153.62 -155.13 0.57 Allowed 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.678 -0.409 . . . . 0.0 111.098 178.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.883 ' H ' HG22 ' A' ' 7' ' ' THR . 9.7 m -99.45 171.2 8.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.91 0.386 . . . . 0.0 111.63 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -150.62 47.9 0.88 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.241 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.614 ' HB2' ' HB2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -60.96 -26.68 67.72 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-O 121.415 0.626 . . . . 0.0 109.909 179.062 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.562 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -141.87 124.87 16.21 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.461 179.798 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.1 t -34.72 96.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.74 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.726 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.712 0.291 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 57.19 90.08 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.963 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.603 ' H ' ' HE2' ' A' ' 4' ' ' LYS . 2.6 ttt -152.79 30.72 0.51 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.07 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.603 ' HE2' ' H ' ' A' ' 3' ' ' MET . 0.0 OUTLIER -122.22 -157.46 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.525 179.705 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -161.81 85.16 0.61 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.744 0.307 . . . . 0.0 111.178 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.81 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 11.1 p -55.92 121.0 8.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.488 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.64 HG22 ' H ' ' A' ' 45' ' ' CYS . 1.1 p 63.68 128.81 0.01 OUTLIER 'General case' 0 C--O 1.23 0.069 0 CA-C-O 121.18 0.514 . . . . 0.0 111.259 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 1.005 ' HD2' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.01 36.39 1.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.303 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 127.22 5.92 5.46 Favored Glycine 0 N--CA 1.444 -0.803 0 CA-C-N 114.748 -1.115 . . . . 0.0 110.973 -178.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.41 ' HD1' ' HB3' ' A' ' 44' ' ' SER . 19.3 t80 56.53 88.88 0.05 OUTLIER 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 115.655 -0.272 . . . . 0.0 110.345 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.509 HH11 ' HB3' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -163.83 52.75 0.15 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -179.745 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.72 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -109.04 157.45 18.69 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 176.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.453 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.5 OUTLIER -150.51 159.14 44.7 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -177.572 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.477 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 102.96 44.81 1.7 Allowed Glycine 0 C--N 1.336 0.577 0 CA-C-N 115.223 -0.899 . . . . 0.0 113.596 178.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.458 ' N ' ' CE1' ' A' ' 43' ' ' HIS . 1.5 mttt 27.06 84.02 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 122.573 0.349 . . . . 0.0 111.413 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 t 55.19 51.36 13.36 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-O 121.385 0.612 . . . . 0.0 109.789 -178.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.52 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -76.57 153.91 34.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.278 -179.31 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.51 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -54.32 -52.79 60.4 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.076 179.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -50.21 -26.74 4.97 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.853 179.801 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.605 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -78.34 -50.86 11.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.489 179.766 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.567 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 4.5 pt-20 -63.85 -23.31 67.3 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 178.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.17 -36.69 24.52 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.073 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.496 ' HG2' ' NH2' ' A' ' 8' ' ' ARG . 0.1 OUTLIER -53.67 -43.19 68.66 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.345 0.593 . . . . 0.0 109.501 178.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 74.2 m -76.66 -42.35 42.25 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.139 -0.937 . . . . 0.0 112.171 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.537 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.2 OUTLIER -65.85 -28.11 68.73 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.933 0.345 . . . . 0.0 111.933 -178.562 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.2 p -85.65 -34.27 21.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.735 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.005 HD22 ' HD2' ' A' ' 8' ' ' ARG . 0.5 OUTLIER -85.15 -46.49 11.05 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -178.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.613 ' HE2' HH11 ' A' ' 8' ' ' ARG . 1.4 m-85 -133.16 112.84 13.32 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.458 -178.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 28' ' ' TYR . 2.3 Cg_endo -79.87 69.6 7.87 Favored 'Trans proline' 0 N--CA 1.46 -0.495 0 C-N-CA 122.799 2.332 . . . . 0.0 111.635 179.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.663 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 11.6 mmm180 -110.8 -172.09 1.96 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.492 -179.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -105.72 -29.11 5.12 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.394 179.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.438 ' C ' ' HA ' ' A' ' 47' ' ' CYS . 2.4 mt-30 -105.31 9.47 33.87 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.295 0.569 . . . . 0.0 110.332 179.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.663 ' HB2' ' HB2' ' A' ' 30' ' ' ARG . 4.6 t -99.72 74.76 1.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.842 179.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.477 HG23 ' N ' ' A' ' 35' ' ' CYS . 8.9 t -131.81 -132.63 0.19 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.116 -178.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.477 ' N ' HG23 ' A' ' 34' ' ' THR . 0.0 OUTLIER -98.17 131.71 44.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.03 0.443 . . . . 0.0 111.064 -179.764 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 6.2 t -137.68 111.84 8.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.775 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.479 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 38.8 t70 -129.75 158.54 39.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.881 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.5 t -105.82 -67.67 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.831 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.73 47.01 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.44 -177.79 5.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.805 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -79.12 -31.68 44.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.732 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -99.84 143.73 29.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.355 0.598 . . . . 0.0 111.443 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.627 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 2.8 p-80 -151.22 -178.47 6.66 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.996 -1.002 . . . . 0.0 109.374 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.532 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 80.4 p -152.43 -150.15 0.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.937 177.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.64 ' H ' HG22 ' A' ' 7' ' ' THR . 0.1 OUTLIER -101.95 176.15 5.3 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -178.511 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -150.94 30.28 0.64 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.249 179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.606 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -50.23 -27.49 6.07 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 121.477 0.656 . . . . 0.0 110.268 179.564 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.81 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -133.77 138.59 45.82 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.655 -179.746 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.25 94.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.971 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 28.1 p . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.307 -0.854 . . . . 0.0 110.879 -179.832 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 6.1 m120 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.763 0.316 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' ' 2' ' ' LEU . 3.8 mm? -99.29 160.85 13.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.983 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.618 ' HB3' ' HE2' ' A' ' 4' ' ' LYS . 6.3 ttt -149.88 -54.99 0.17 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.575 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.688 ' HB3' ' HE ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -131.75 -171.92 2.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.604 179.73 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -157.56 98.38 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.092 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.862 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 19.0 p -51.3 139.89 18.14 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.896 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.919 ' H ' ' HB2' ' A' ' 45' ' ' CYS . 0.4 OUTLIER 53.14 -172.16 0.04 OUTLIER 'General case' 0 N--CA 1.456 -0.165 0 CA-C-O 121.421 0.629 . . . . 0.0 111.675 179.6 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.746 ' HD2' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -145.35 32.54 1.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.243 -0.889 . . . . 0.0 108.797 179.257 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.81 8.62 5.13 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 114.543 -1.208 . . . . 0.0 110.652 -178.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.2 t80 56.38 85.83 0.07 Allowed 'General case' 0 C--N 1.333 -0.123 0 CA-C-N 115.486 -0.357 . . . . 0.0 110.421 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.485 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -154.51 51.51 0.64 Allowed 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -179.658 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.892 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 5.0 mptt -111.08 159.06 18.15 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 178.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.71 156.49 41.42 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -178.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.504 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 100.37 52.02 1.18 Allowed Glycine 0 C--N 1.338 0.674 0 CA-C-N 115.214 -0.903 . . . . 0.0 113.616 179.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.496 ' N ' ' HE1' ' A' ' 43' ' ' HIS . 0.2 OUTLIER 26.81 82.27 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.898 0.349 . . . . 0.0 111.604 -179.667 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.414 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 49.91 52.15 15.2 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.311 0.577 . . . . 0.0 110.114 -178.896 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.568 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -70.99 151.45 44.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.263 -0.881 . . . . 0.0 111.266 -179.558 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.521 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.0 OUTLIER -50.56 -51.2 50.27 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-O 120.891 0.377 . . . . 0.0 110.145 179.3 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.0 tt -48.71 -44.69 38.38 Favored 'General case' 0 CA--C 1.508 -0.652 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.415 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.892 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -65.56 -44.59 86.3 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.267 -179.543 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.621 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 5.5 pt-20 -67.48 -23.21 65.46 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 121.106 0.479 . . . . 0.0 109.808 179.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.53 -41.28 24.48 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.583 -0.735 . . . . 0.0 109.298 178.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.701 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -50.57 -49.37 56.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.579 178.863 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.438 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 4.7 m -66.94 -44.47 80.56 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.067 -0.969 . . . . 0.0 111.507 179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.562 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -61.08 -72.06 0.13 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.879 -179.057 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.6 p -48.5 -38.43 20.15 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.746 HD22 ' HD2' ' A' ' 8' ' ' ARG . 0.1 OUTLIER -77.76 -33.84 52.6 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -179.304 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.56 ' CE2' ' HB3' ' A' ' 27' ' ' LEU . 3.5 m-85 -140.86 110.24 6.61 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.206 -178.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -79.44 47.03 2.38 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.614 2.209 . . . . 0.0 111.983 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.688 ' HE ' ' HB3' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -81.94 -177.98 6.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.606 -179.5 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -105.56 -11.28 29.28 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.124 178.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.16 13.99 6.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.011 0.434 . . . . 0.0 110.67 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.541 ' HB2' ' HB3' ' A' ' 47' ' ' CYS . 34.8 t -99.87 65.1 1.29 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.959 179.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.521 HG23 ' N ' ' A' ' 35' ' ' CYS . 14.6 t -111.78 -141.57 0.38 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.895 -179.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.521 ' N ' HG23 ' A' ' 34' ' ' THR . 0.8 OUTLIER -98.53 129.46 45.09 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.09 0.471 . . . . 0.0 111.252 -179.53 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.542 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.4 OUTLIER -135.87 122.34 20.7 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.676 -179.808 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.474 ' HA ' ' HB3' ' A' ' 43' ' ' HIS . 19.2 t0 -121.34 150.98 40.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.289 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.536 ' O ' ' HB2' ' A' ' 39' ' ' LYS . 14.9 t -99.85 24.08 8.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.263 179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.536 ' HB2' ' O ' ' A' ' 38' ' ' SER . 0.1 OUTLIER 74.87 40.69 0.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.735 -179.43 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.9 mmt -138.33 172.57 12.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.444 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 40.9 t-20 -64.67 -32.56 74.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.572 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -108.53 141.96 39.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.474 0.654 . . . . 0.0 111.296 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.635 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 4.6 p-80 -151.36 -171.49 3.95 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.967 -1.015 . . . . 0.0 108.994 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.515 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 69.4 p -154.37 -145.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.709 177.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.919 ' HB2' ' H ' ' A' ' 7' ' ' THR . 26.7 m -103.37 178.59 4.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.033 0.444 . . . . 0.0 111.782 -179.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -150.23 37.01 0.68 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.828 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.541 ' HB3' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -57.8 -23.49 52.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.283 179.491 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.862 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -131.13 135.12 47.2 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.543 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.4 t -52.11 94.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.875 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 24.4 p . . . . . 0 C--O 1.249 1.073 0 CA-C-O 118.186 -0.911 . . . . 0.0 110.879 -179.802 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.796 0.331 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -154.41 159.82 41.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 -179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.7 mtt -110.56 152.93 25.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.702 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.519 ' HD2' ' HB2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -117.3 -170.52 1.86 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.907 0.384 . . . . 0.0 111.093 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.9 ptt180 -153.99 87.61 1.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.623 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.451 ' SG ' HG23 ' A' ' 7' ' ' THR . 1.1 p -46.34 134.62 8.76 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.276 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.811 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.2 OUTLIER 56.16 170.14 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.333 0.587 . . . . 0.0 112.316 179.469 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.415 ' HD2' ' OH ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -117.97 28.43 8.41 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.315 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.58 18.04 2.78 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 114.62 -1.173 . . . . 0.0 111.296 -178.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 50.7 t80 59.93 95.81 0.03 OUTLIER 'General case' 0 C--O 1.232 0.153 0 CA-C-O 120.521 0.2 . . . . 0.0 110.713 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.489 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -164.85 53.28 0.12 Allowed 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 179.893 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.882 ' HE3' ' HG2' ' A' ' 23' ' ' LYS . 8.8 mptt -113.2 157.14 22.09 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 177.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.406 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.1 OUTLIER -149.81 154.69 38.83 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.377 0.88 . . . . 0.0 113.377 -178.187 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.509 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 102.57 47.21 1.42 Allowed Glycine 0 C--N 1.339 0.718 0 CA-C-N 115.15 -0.932 . . . . 0.0 113.5 179.218 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.514 ' N ' ' CE1' ' A' ' 43' ' ' HIS . 0.2 OUTLIER 31.6 83.81 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 122.449 0.3 . . . . 0.0 111.381 -179.79 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.487 ' HA ' ' HG2' ' A' ' 20' ' ' GLU . 0.5 OUTLIER 47.92 49.67 16.67 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 121.619 0.723 . . . . 0.0 109.573 -178.446 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.574 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.6 OUTLIER -66.77 158.56 30.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.722 -1.126 . . . . 0.0 111.55 -179.184 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.519 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -55.63 -52.41 63.89 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.987 179.128 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -54.81 -22.69 15.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.393 179.713 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.617 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -80.54 -46.47 15.73 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.354 179.642 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.582 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 4.9 pt-20 -69.36 -24.5 63.9 Favored 'General case' 0 C--O 1.232 0.139 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 178.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.87 -34.14 45.17 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.087 -0.961 . . . . 0.0 109.481 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.882 ' HG2' ' HE3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -59.1 -49.66 77.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.557 178.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.615 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 3.7 m -69.81 -32.01 70.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.316 -0.856 . . . . 0.0 112.196 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.529 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -80.21 -67.14 0.79 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.862 0.363 . . . . 0.0 111.847 -179.097 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.472 ' OG1' HD12 ' A' ' 27' ' ' LEU . 32.7 p -51.65 -38.79 56.42 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.557 0.576 . . . . 0.0 112.557 -179.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.63 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.5 mp -85.34 -35.48 21.4 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.693 -179.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.497 ' HD2' ' SG ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -116.63 115.07 39.66 Favored Pre-proline 0 C--N 1.332 -0.191 0 C-N-CA 120.754 -0.378 . . . . 0.0 111.052 -179.148 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -82.45 52.35 4.07 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 122.268 1.978 . . . . 0.0 111.044 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.417 ' NE ' ' HG2' ' A' ' 4' ' ' LYS . 16.0 mmm180 -92.82 -177.13 4.44 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.657 0.741 . . . . 0.0 112.649 -178.58 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -126.7 -24.89 1.31 Allowed Glycine 0 N--CA 1.447 -0.584 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.761 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.78 13.33 33.21 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 121.171 0.51 . . . . 0.0 109.78 178.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.615 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 12.8 t -104.75 155.29 19.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.376 179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.516 ' HB ' ' O ' ' A' ' 33' ' ' CYS . 9.7 t 176.47 -150.99 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.024 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.478 ' N ' HG23 ' A' ' 34' ' ' THR . 0.8 OUTLIER -98.15 130.81 44.9 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.105 0.479 . . . . 0.0 110.829 -179.601 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.579 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 67.2 m -135.96 122.51 20.83 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.267 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -132.14 157.71 43.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.304 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.42 -75.85 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 110.965 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -163.78 39.41 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.69 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.16 166.32 24.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.842 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -68.12 -10.59 55.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.915 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.421 HG22 ' O ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -120.39 140.99 50.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.434 0.635 . . . . 0.0 111.702 179.765 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.634 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.5 p-80 -151.36 -171.56 3.97 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.038 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.573 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 80.6 p -154.68 -151.12 0.34 Allowed 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.45 -0.5 . . . . 0.0 111.215 177.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.811 ' H ' HG22 ' A' ' 7' ' ' THR . 39.2 m -99.68 169.44 9.27 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.856 0.36 . . . . 0.0 111.404 -179.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -150.34 41.84 0.81 Allowed 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.626 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.57 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -59.23 -26.25 64.72 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-O 121.465 0.65 . . . . 0.0 109.772 178.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.519 ' HB2' ' HD2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -132.61 136.58 46.62 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.767 -1.106 . . . . 0.0 110.372 -179.816 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.8 86.52 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.815 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 48' ' ' LYS . 85.1 m . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.276 -0.869 . . . . 0.0 110.873 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.865 0.364 . . . . 0.0 111.301 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.11 153.56 26.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.004 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.9 mtm -93.82 170.46 9.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.809 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.503 ' HD3' ' HG3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -113.71 -15.32 12.48 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.727 179.629 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.5 ' HG2' ' O ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 35.36 91.85 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.63 -0.714 . . . . 0.0 112.631 179.645 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.862 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 9.3 p -52.17 143.18 14.91 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.608 179.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.402 HG22 ' H ' ' A' ' 45' ' ' CYS . 1.4 p 61.76 131.56 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 121.184 0.516 . . . . 0.0 111.586 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 1.023 ' HD2' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.66 34.04 2.35 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.726 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 133.99 6.2 2.57 Favored Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 114.515 -1.22 . . . . 0.0 110.879 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.6 t80 53.44 70.5 0.59 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.429 -0.385 . . . . 0.0 110.37 -179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.742 ' HG3' ' HZ2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -145.94 63.98 1.23 Allowed 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -179.202 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.802 ' HE3' ' HE3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -113.83 157.9 21.71 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 177.802 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -150.46 158.07 43.74 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 -178.127 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.49 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 97.96 57.95 1.0 Allowed Glycine 0 C--N 1.337 0.629 0 CA-C-N 115.206 -0.906 . . . . 0.0 113.297 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.49 ' C ' ' O ' ' A' ' 14' ' ' GLY . 1.2 mttt 19.48 83.94 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 122.991 0.516 . . . . 0.0 111.895 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.419 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 1.3 t 50.67 59.58 4.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.517 -178.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.561 ' HB ' ' HG2' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -80.32 150.15 30.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.497 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.498 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -52.9 -51.66 60.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.544 179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.19 -27.96 6.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.013 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.561 ' HG2' ' HB ' ' A' ' 17' ' ' THR . 6.8 mm-40 -77.74 -49.17 14.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.527 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 3.9 pt-20 -64.53 -27.51 69.02 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 179.033 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.94 -36.01 42.36 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.516 178.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.802 ' HE3' ' HE3' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -50.88 -57.65 7.96 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.394 178.62 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.684 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 0.6 OUTLIER -67.75 -32.31 72.83 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.0 179.313 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.527 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -61.68 -73.21 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.327 -179.366 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 72.8 p -52.89 -31.86 41.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.948 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.023 HD22 ' HD2' ' A' ' 8' ' ' ARG . 0.2 OUTLIER -77.15 -34.44 56.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.761 0.315 . . . . 0.0 111.694 -179.475 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.544 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 2.1 m-85 -143.13 104.93 5.16 Favored Pre-proline 0 C--N 1.327 -0.412 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.669 -178.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.438 ' HD2' HH21 ' A' ' 30' ' ' ARG . 4.6 Cg_exo -74.59 76.41 3.23 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.719 2.28 . . . . 0.0 111.497 179.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.471 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 2.5 mmp_? -113.71 -170.02 1.62 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.496 0.665 . . . . 0.0 111.87 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.41 -18.52 8.03 Favored Glycine 0 N--CA 1.447 -0.596 0 CA-C-N 114.797 -1.092 . . . . 0.0 110.56 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.45 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 0.6 OUTLIER -118.1 12.85 13.72 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.029 0.442 . . . . 0.0 110.142 179.257 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.684 ' SG ' ' HB2' ' A' ' 24' ' ' CYS . 32.1 t -99.4 68.39 1.61 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.683 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.49 HG23 ' N ' ' A' ' 35' ' ' CYS . 9.0 t -115.26 -150.11 0.46 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.617 -179.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.49 ' N ' HG23 ' A' ' 34' ' ' THR . 1.6 t -98.19 144.51 27.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.021 0.438 . . . . 0.0 111.43 -179.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.475 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -146.65 126.25 13.33 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.998 -179.872 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -131.53 156.86 44.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.468 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.8 t -99.71 -77.47 0.52 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.056 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.33 42.66 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.619 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 62.4 mtp -144.13 -172.91 3.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -80.27 -27.91 38.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.859 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.85 140.91 37.43 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.408 0.623 . . . . 0.0 111.564 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.615 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 7.4 p-80 -151.1 -168.99 3.26 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.107 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.591 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 80.3 p -153.48 -145.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 177.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.542 ' HB2' HH22 ' A' ' 8' ' ' ARG . 84.4 m -130.14 150.97 51.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.926 0.393 . . . . 0.0 111.534 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -113.49 56.57 0.69 Allowed 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.087 -0.506 . . . . 0.0 112.046 -178.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.648 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 4.2 m -60.53 -26.15 66.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.296 0.57 . . . . 0.0 110.124 178.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.862 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 8.6 tmtt? -131.88 161.25 33.45 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.684 -179.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.27 66.28 1.72 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.667 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.896 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.802 0.335 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -161.57 172.71 15.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.817 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.2 ptm -96.71 176.47 5.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.69 ' HE3' ' HE ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -109.88 -156.74 0.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.737 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.73 70.04 0.94 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.307 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.833 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 25.9 p -50.98 124.1 10.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.841 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.516 HG22 ' H ' ' A' ' 45' ' ' CYS . 1.0 OUTLIER 60.77 147.31 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 121.312 0.577 . . . . 0.0 111.928 179.827 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.962 ' HD3' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.4 35.48 1.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 178.779 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.24 17.09 5.86 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.138 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 63.7 t80 59.29 88.07 0.07 Allowed 'General case' 0 C--O 1.233 0.189 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.03 57.57 0.25 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.741 ' HG3' ' HE2' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -113.68 153.41 28.99 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 177.444 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.464 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -146.5 158.81 43.95 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -177.808 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.51 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 95.02 60.41 1.07 Allowed Glycine 0 C--N 1.338 0.643 0 CA-C-N 115.149 -0.932 . . . . 0.0 113.164 179.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.51 ' C ' ' O ' ' A' ' 14' ' ' GLY . 20.4 mttt 16.45 84.58 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.12 0.568 . . . . 0.0 111.853 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 52.8 59.89 4.17 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.147 -178.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.464 ' HB ' ' O ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -82.22 160.23 23.05 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.26 -179.381 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.433 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.9 m -54.87 -58.87 5.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.608 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -47.77 -26.15 1.5 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.197 -179.822 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.709 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -78.18 -53.57 7.21 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.64 179.903 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.521 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 2.9 pt-20 -60.96 -26.12 67.32 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 178.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -73.51 -46.49 47.56 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 114.742 -1.117 . . . . 0.0 109.444 178.804 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.741 ' HE2' ' HG3' ' A' ' 12' ' ' LYS . 0.7 OUTLIER -51.43 -39.34 57.15 Favored 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 178.784 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.582 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 19.9 m -63.7 -48.86 75.41 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.697 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.89 -69.08 0.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -179.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.0 p -45.88 -40.12 9.57 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.962 HD12 ' HD3' ' A' ' 8' ' ' ARG . 1.2 mm? -79.92 -39.06 31.15 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 120.791 0.329 . . . . 0.0 111.189 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.709 ' OH ' ' HD2' ' A' ' 8' ' ' ARG . 1.4 m-85 -131.31 122.4 19.03 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.591 -177.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -82.95 43.81 1.55 Allowed 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.566 2.177 . . . . 0.0 111.491 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.7 ' HD3' ' H ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -77.62 160.78 28.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.163 -178.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.7 ' H ' ' HD3' ' A' ' 30' ' ' ARG . . . -104.56 -8.75 37.07 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 178.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.493 ' H ' ' HD3' ' A' ' 30' ' ' ARG . 7.8 mt-30 -125.27 18.64 8.28 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.943 0.402 . . . . 0.0 110.6 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.582 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 36.5 t -99.48 149.8 22.85 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.954 179.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.435 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 5.4 t -177.88 -159.7 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.304 -179.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.427 ' N ' HG23 ' A' ' 34' ' ' THR . 0.5 OUTLIER -96.38 127.41 42.36 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.157 0.504 . . . . 0.0 111.379 -179.045 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.0 t -127.64 129.62 47.53 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.744 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.436 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 32.0 t70 -139.15 156.21 47.29 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.594 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.4 p -99.96 -73.33 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.909 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 ptmm? -169.09 44.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.727 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 70.6 mmm -139.78 -167.77 2.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.834 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -88.47 -28.05 21.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.33 142.24 33.87 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.381 0.61 . . . . 0.0 111.469 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.637 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 2.2 p-80 -151.27 -174.64 4.88 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.092 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.544 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 88.3 p -153.34 -158.79 0.91 Allowed 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.836 177.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.516 ' H ' HG22 ' A' ' 7' ' ' THR . 81.2 m -99.42 176.21 5.59 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.721 0.296 . . . . 0.0 111.075 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -150.51 48.85 0.88 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.526 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.557 ' HB3' ' HG3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -63.6 -22.9 67.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.298 0.57 . . . . 0.0 110.035 179.103 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.833 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.4 OUTLIER -136.0 126.89 27.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.225 -0.898 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -43.93 94.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.7 p . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.837 -179.631 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.782 0.325 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.68 50.71 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.816 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.618 ' HB2' ' HZ1' ' A' ' 4' ' ' LYS . 10.3 mtt -62.33 -53.31 56.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.045 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.618 ' HZ1' ' HB2' ' A' ' 3' ' ' MET . 0.0 OUTLIER -121.89 -166.05 1.34 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.11 94.54 1.64 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.158 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.58 ' HB2' ' HA ' ' A' ' 46' ' ' ASP . 1.0 OUTLIER -58.19 135.36 57.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.584 179.736 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.421 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.9 OUTLIER 59.29 149.13 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 121.29 0.567 . . . . 0.0 112.138 179.87 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.938 ' HD3' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.26 36.74 1.67 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.748 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.33 17.62 7.58 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 114.6 -1.182 . . . . 0.0 110.475 -178.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.47 ' HD1' ' HB3' ' A' ' 44' ' ' SER . 10.0 t80 59.73 95.27 0.03 OUTLIER 'General case' 0 CA--C 1.52 -0.19 0 CA-C-N 115.517 -0.341 . . . . 0.0 110.253 -179.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.9 53.96 0.1 Allowed 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.654 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 1.1 mptt -110.55 156.02 21.5 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 177.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.432 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -148.81 155.62 41.18 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 113.472 0.916 . . . . 0.0 113.472 -177.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.511 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 99.26 56.42 0.99 Allowed Glycine 0 C--N 1.337 0.609 0 CA-C-N 115.15 -0.932 . . . . 0.0 113.141 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' A' ' 14' ' ' GLY . 3.8 mttt 19.52 84.56 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.042 0.537 . . . . 0.0 111.701 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 52.25 58.83 5.01 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.484 0.659 . . . . 0.0 109.758 -178.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.568 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -79.24 160.51 26.85 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.321 -179.072 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.577 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.3 m -56.76 -58.13 9.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.213 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.403 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -49.17 -25.51 2.26 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.963 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.57 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -76.99 -53.29 8.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.541 179.801 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.577 ' HG2' ' O ' ' A' ' 18' ' ' THR . 7.0 pt-20 -59.6 -29.18 67.8 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 178.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.98 -47.77 57.05 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.481 178.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.715 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 3.2 ttpt -51.24 -36.85 43.87 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 121.361 0.6 . . . . 0.0 109.467 178.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.498 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 37.1 m -65.3 -47.34 76.93 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.888 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.22 -65.82 0.9 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -179.135 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.8 p -47.77 -41.2 22.74 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.938 HD12 ' HD3' ' A' ' 8' ' ' ARG . 1.2 mm? -79.66 -40.34 29.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.825 0.345 . . . . 0.0 111.477 -179.318 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.692 ' OH ' ' HD2' ' A' ' 8' ' ' ARG . 1.6 m-85 -126.85 123.58 23.75 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.746 -176.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -86.67 48.62 1.91 Allowed 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 122.686 2.258 . . . . 0.0 111.472 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.684 HH11 ' HG2' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -87.9 159.71 18.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.106 -178.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.634 ' H ' ' HD3' ' A' ' 30' ' ' ARG . . . -99.64 -15.52 31.57 Favored Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 178.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.684 ' HG2' HH11 ' A' ' 30' ' ' ARG . 11.3 mm-40 -117.0 21.24 13.39 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.354 -0.423 . . . . 0.0 110.338 179.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.624 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 34.6 t -99.44 147.83 24.86 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.197 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.442 HG23 ' N ' ' A' ' 35' ' ' CYS . 4.4 t -178.61 -161.2 0.05 OUTLIER 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.037 -179.348 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.442 ' N ' HG23 ' A' ' 34' ' ' THR . 0.4 OUTLIER -96.22 131.59 42.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.314 0.578 . . . . 0.0 111.382 -179.195 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.425 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 34.2 t -134.12 134.07 41.81 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.611 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.439 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 31.1 t0 -142.58 159.69 41.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.666 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.63 -73.66 0.64 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.777 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -168.75 54.67 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.78 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.26 -170.29 3.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.869 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -87.0 -23.3 25.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.29 141.5 37.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.319 0.581 . . . . 0.0 111.635 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.654 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 2.6 p-80 -151.14 -174.26 4.75 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.069 -0.968 . . . . 0.0 109.264 -179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.528 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 69.6 p -153.9 -160.88 1.15 Allowed 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.696 177.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.421 ' H ' HG22 ' A' ' 7' ' ' THR . 61.8 m -99.41 175.27 5.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.755 0.312 . . . . 0.0 111.211 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.58 ' HA ' ' HB2' ' A' ' 6' ' ' CYS . 3.5 t70 -150.54 49.55 0.88 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.402 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.624 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -62.0 -24.15 66.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.262 0.553 . . . . 0.0 110.105 179.203 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.618 ' HB2' ' HD2' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -126.96 144.95 50.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.534 -179.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.08 84.97 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.749 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.434 ' N ' ' O ' ' A' ' 48' ' ' LYS . 60.9 m . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.221 -0.895 . . . . 0.0 110.811 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.749 0.309 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.21 1.9 15.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.838 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -119.48 145.42 46.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.949 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.603 ' HD3' ' HB2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -119.65 -35.22 3.58 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.697 179.868 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 57.32 74.74 0.4 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.338 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.472 ' HB2' ' HA ' ' A' ' 46' ' ' ASP . 1.1 p -53.12 136.98 34.8 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.742 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.435 HG23 ' SG ' ' A' ' 6' ' ' CYS . 1.0 OUTLIER 59.78 147.72 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.283 0.563 . . . . 0.0 112.168 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.999 ' HD3' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.53 34.5 2.2 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.697 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 117.01 17.54 5.82 Favored Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.067 -178.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 44.0 t80 58.43 85.71 0.09 Allowed 'General case' 0 C--O 1.232 0.162 0 N-CA-C 110.348 -0.241 . . . . 0.0 110.348 -179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -158.89 55.15 0.42 Allowed 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -179.59 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.749 ' HG3' ' HE2' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -111.93 152.71 27.72 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 177.499 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.421 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.3 OUTLIER -148.81 154.54 39.67 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 -177.757 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.502 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 104.69 46.14 1.33 Allowed Glycine 0 C--N 1.338 0.69 0 CA-C-N 115.167 -0.924 . . . . 0.0 113.345 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.475 ' N ' ' HE1' ' A' ' 43' ' ' HIS . 1.5 mtpt 29.35 82.41 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 122.622 0.369 . . . . 0.0 111.301 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER 53.31 50.89 16.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.438 0.637 . . . . 0.0 109.795 -178.44 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.468 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -72.55 155.1 40.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.938 -179.638 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.441 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.8 m -53.37 -54.08 41.85 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.236 179.408 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -50.5 -25.67 4.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.822 179.897 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.689 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -79.11 -50.58 10.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.485 179.713 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.613 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 4.2 pt-20 -62.76 -25.35 68.16 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 178.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.11 -44.88 44.67 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.813 -1.085 . . . . 0.0 109.451 178.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.749 ' HE2' ' HG3' ' A' ' 12' ' ' LYS . 0.6 OUTLIER -55.06 -36.17 65.3 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-O 121.389 0.614 . . . . 0.0 109.479 178.683 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.498 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 32.0 m -71.98 -38.05 69.77 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.056 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.502 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.5 OUTLIER -78.39 -64.0 1.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.879 0.325 . . . . 0.0 111.879 -179.557 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.3 p -55.51 -37.61 68.1 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -178.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.999 HD12 ' HD3' ' A' ' 8' ' ' ARG . 1.0 OUTLIER -79.86 -39.54 30.37 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 120.792 0.329 . . . . 0.0 111.348 -179.339 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.693 ' OH ' ' HD2' ' A' ' 8' ' ' ARG . 1.7 m-85 -127.67 118.77 21.32 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.683 -176.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -85.53 50.97 2.81 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.611 2.207 . . . . 0.0 111.706 179.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.653 ' HD3' ' H ' ' A' ' 32' ' ' GLN . 0.0 OUTLIER -93.96 162.59 13.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.271 0.558 . . . . 0.0 112.132 -178.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -97.75 -19.54 24.37 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 178.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.653 ' H ' ' HD3' ' A' ' 30' ' ' ARG . 4.0 mt-30 -110.87 17.17 20.81 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 121.005 0.431 . . . . 0.0 110.247 179.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.549 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 43.8 t -99.32 143.84 29.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.902 179.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.475 HG23 ' N ' ' A' ' 35' ' ' CYS . 5.5 t -177.05 -156.55 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.202 -179.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.475 ' N ' HG23 ' A' ' 34' ' ' THR . 0.6 OUTLIER -95.92 125.3 40.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.19 0.519 . . . . 0.0 111.532 -179.077 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 8.2 t -123.62 124.89 43.8 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.874 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -133.24 148.92 52.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.322 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.87 -71.54 0.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.882 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -168.25 46.69 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.739 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.4 mtt -150.18 164.12 36.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.045 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -60.93 -28.78 69.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.048 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -100.15 142.53 31.5 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.454 0.645 . . . . 0.0 111.563 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.642 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 2.6 p-80 -151.1 -172.85 4.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.015 -0.993 . . . . 0.0 108.972 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.539 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 79.7 p -153.84 -156.93 0.73 Allowed 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.971 177.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.429 ' HB2' ' H ' ' A' ' 7' ' ' THR . 75.7 m -99.47 171.85 7.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.862 0.363 . . . . 0.0 111.325 -179.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.472 ' HA ' ' HB2' ' A' ' 6' ' ' CYS . 12.1 t70 -150.21 50.21 0.9 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.445 -179.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.549 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -71.25 -21.18 62.14 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.388 0.613 . . . . 0.0 109.847 179.122 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.603 ' HB2' ' HD3' ' A' ' 4' ' ' LYS . 0.5 OUTLIER -126.43 137.12 53.38 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.033 -0.985 . . . . 0.0 110.351 -179.765 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.32 86.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.672 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 48' ' ' LYS . 62.3 m . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.831 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.771 0.319 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -139.46 129.6 25.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.461 ' HA ' ' CG ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -151.38 162.59 40.65 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.956 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.823 ' HE3' ' HB3' ' A' ' 28' ' ' TYR . 1.1 tmtm? -106.51 -44.37 4.51 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.599 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -179.11 10.98 0.0 OUTLIER 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.27 179.515 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.853 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 15.9 p -39.9 120.75 1.19 Allowed 'General case' 0 N--CA 1.463 0.204 0 O-C-N 123.037 0.21 . . . . 0.0 111.13 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.527 ' H ' ' HB2' ' A' ' 45' ' ' CYS . 1.5 p 62.35 134.33 0.01 OUTLIER 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.274 0.559 . . . . 0.0 111.867 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.792 ' H ' ' HZ1' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -99.18 37.18 1.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 178.895 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 114.69 11.04 11.84 Favored Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.752 -178.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.437 ' HA ' ' HB3' ' A' ' 44' ' ' SER . 0.6 OUTLIER 59.62 78.71 0.26 Allowed 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.45 -0.375 . . . . 0.0 110.462 -179.634 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.51 55.61 0.91 Allowed 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 -179.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.792 ' HZ1' ' H ' ' A' ' 8' ' ' ARG . 4.7 mptt -110.96 159.94 17.26 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 178.199 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.431 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.1 OUTLIER -150.31 153.05 35.43 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 113.361 0.875 . . . . 0.0 113.361 -178.367 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.491 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 101.82 48.23 1.4 Allowed Glycine 0 C--N 1.34 0.757 0 CA-C-N 115.324 -0.853 . . . . 0.0 113.735 178.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.5 ' N ' ' CE1' ' A' ' 43' ' ' HIS . 3.7 mttp 28.21 83.92 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 122.521 0.328 . . . . 0.0 111.539 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 50.75 50.55 18.75 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.498 0.666 . . . . 0.0 109.596 -178.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.485 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -69.87 159.21 34.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.019 -0.991 . . . . 0.0 111.369 -179.239 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.615 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -55.17 -54.94 36.86 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.012 179.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -51.74 -23.26 4.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.529 179.726 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.511 ' HG3' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -78.68 -51.58 9.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.351 179.668 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.615 ' HG2' ' O ' ' A' ' 18' ' ' THR . 6.1 pt-20 -64.16 -24.9 67.85 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.44 -37.29 37.38 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.004 179.214 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.737 ' HG2' ' HE3' ' A' ' 12' ' ' LYS . 1.4 tptt -54.49 -46.22 73.39 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.501 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 2.0 m -68.36 -41.97 79.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.221 -0.9 . . . . 0.0 112.155 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.483 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -73.39 -69.41 0.43 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -178.734 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.572 ' OG1' HD12 ' A' ' 27' ' ' LEU . 57.0 p -50.3 -42.79 53.13 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.881 0.696 . . . . 0.0 112.881 -178.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.651 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 6.2 mp -85.33 -40.54 16.42 Favored 'General case' 0 C--O 1.232 0.144 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -178.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.823 ' HB3' ' HE3' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -108.4 126.2 30.14 Favored Pre-proline 0 CA--C 1.532 0.259 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.862 -179.076 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -92.61 38.68 0.24 Allowed 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 122.823 2.349 . . . . 0.0 113.33 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.732 ' HG3' ' HD2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -80.77 138.21 36.27 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.866 0.365 . . . . 0.0 111.594 -179.914 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -74.86 -11.84 83.36 Favored Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 110.529 -1.029 . . . . 0.0 110.529 178.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.513 ' H ' ' HD2' ' A' ' 30' ' ' ARG . 0.3 OUTLIER -125.87 37.42 4.35 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.033 -0.583 . . . . 0.0 110.217 179.579 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.657 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 2.0 t -98.64 153.01 19.0 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.706 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.474 HG23 ' N ' ' A' ' 35' ' ' CYS . 1.3 t -178.3 -167.36 0.13 Allowed 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 120.577 -0.449 . . . . 0.0 112.025 -179.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.474 ' N ' HG23 ' A' ' 34' ' ' THR . 0.1 OUTLIER -97.49 147.0 24.69 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.993 0.425 . . . . 0.0 111.179 -179.42 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.486 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 10.7 t -144.59 129.35 18.26 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.043 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.448 ' OD2' ' HB3' ' A' ' 43' ' ' HIS . 14.0 t70 -137.58 161.16 37.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.655 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.9 -79.47 0.58 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.974 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.63 43.7 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.638 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 17.7 mtp -146.01 168.08 21.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.941 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -65.58 -26.13 67.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.001 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -103.77 142.39 34.44 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.326 0.584 . . . . 0.0 111.689 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.58 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 2.7 p-80 -151.29 -168.01 2.97 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.032 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.505 ' HB2' ' HZ3' ' A' ' 12' ' ' LYS . 83.4 p -152.99 -154.48 0.53 Allowed 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.709 177.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.527 ' HB2' ' H ' ' A' ' 7' ' ' THR . 97.6 m -99.6 177.96 5.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.32 0.581 . . . . 0.0 112.354 -178.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.417 ' HB2' ' HB2' ' A' ' 36' ' ' SER . 13.7 t0 -145.95 39.31 1.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.988 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.689 ' SG ' ' HB2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -48.25 -28.02 2.82 Favored 'General case' 0 CA--C 1.513 -0.475 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.815 179.433 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.853 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -150.11 145.96 26.63 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.889 -179.21 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.45 ' N ' ' HD3' ' A' ' 48' ' ' LYS . 0.2 OUTLIER -63.26 85.92 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.879 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.6 p . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.909 -179.794 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.6 p30 . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.687 0.28 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 64.69 117.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.972 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.93 144.26 55.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.073 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.526 ' HB3' ' HB2' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -117.94 -52.66 2.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.596 179.786 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.37 -7.86 0.64 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.795 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.769 ' HB2' ' HA ' ' A' ' 46' ' ' ASP . 0.5 OUTLIER 63.74 137.97 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.268 179.884 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.565 ' OG1' ' HB2' ' A' ' 44' ' ' SER . 13.7 t 40.31 -162.87 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.451 ' HG2' ' NZ ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -139.45 43.65 2.0 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.231 0.538 . . . . 0.0 109.55 -179.808 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.453 ' H ' HG23 ' A' ' 7' ' ' THR . . . 110.16 16.22 10.73 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.432 -178.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.522 ' HA ' ' CB ' ' A' ' 44' ' ' SER . 1.0 OUTLIER 57.65 76.19 0.34 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.771 -0.214 . . . . 0.0 110.44 -179.619 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.504 ' HG3' ' HE3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -144.25 52.89 1.27 Allowed 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 -179.449 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.768 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -115.12 155.41 27.15 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 178.085 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.01 159.45 44.38 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -177.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.497 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 104.01 44.09 1.68 Allowed Glycine 0 C--N 1.338 0.642 0 CA-C-N 115.087 -0.961 . . . . 0.0 113.447 179.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.48 ' N ' ' CE1' ' A' ' 43' ' ' HIS . 0.2 OUTLIER 28.71 83.78 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 122.525 0.33 . . . . 0.0 111.301 -179.764 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 52.57 51.47 16.03 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.39 0.614 . . . . 0.0 109.803 -178.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.678 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -72.63 153.98 40.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.023 -0.99 . . . . 0.0 111.222 -179.379 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.599 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -54.69 -55.08 33.61 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 179.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -50.53 -27.8 7.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.624 179.607 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.678 ' H ' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -74.32 -51.83 14.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.52 179.679 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.599 ' HG2' ' O ' ' A' ' 18' ' ' THR . 7.8 pt-20 -61.31 -33.81 74.2 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.37 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.25 -36.5 69.08 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.887 178.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.64 ' HE3' ' HE2' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -55.04 -47.05 75.29 Favored 'General case' 0 C--O 1.223 -0.334 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.795 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.584 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 3.2 m -65.53 -34.92 79.38 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.514 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.518 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -72.03 -69.84 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.604 -179.514 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 47.2 p -51.98 -33.63 38.83 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.56 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 0.5 OUTLIER -81.84 -43.56 18.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.76 0.314 . . . . 0.0 111.244 -179.717 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.633 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 2.3 m-85 -134.58 101.22 12.03 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.228 -177.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -72.83 73.64 2.97 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.837 2.358 . . . . 0.0 111.236 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.518 ' HE ' ' HG2' ' A' ' 4' ' ' LYS . 15.3 mmm180 -118.71 179.77 4.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.338 0.59 . . . . 0.0 111.774 -178.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -105.16 -16.36 16.79 Favored Glycine 0 N--CA 1.447 -0.628 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.066 178.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.97 10.23 15.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.186 0.517 . . . . 0.0 110.305 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.633 ' SG ' ' HB2' ' A' ' 28' ' ' TYR . 45.9 t -100.44 98.32 8.96 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.789 179.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.501 HG23 ' N ' ' A' ' 35' ' ' CYS . 11.6 t -144.37 -146.69 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.284 -179.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.501 ' N ' HG23 ' A' ' 34' ' ' THR . 0.0 OUTLIER -96.86 130.51 44.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.167 0.508 . . . . 0.0 111.457 -179.101 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 25.2 t -133.27 125.65 29.75 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.488 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.418 ' HB2' ' HB3' ' A' ' 43' ' ' HIS . 28.8 t70 -143.02 156.19 44.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.737 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.3 -63.05 1.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.746 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.03 41.75 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.598 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 13.5 mtp -138.48 165.26 27.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.986 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -64.18 -29.42 70.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.132 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.02 141.81 32.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.555 0.693 . . . . 0.0 111.559 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.665 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.5 p-80 -151.13 -176.33 5.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 114.767 -1.106 . . . . 0.0 108.57 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.599 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 91.3 p -153.9 -163.44 1.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.049 -0.66 . . . . 0.0 111.961 177.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.562 ' H ' ' HB ' ' A' ' 7' ' ' THR . 55.0 m -99.77 135.52 41.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.028 -179.521 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.769 ' HA ' ' HB2' ' A' ' 6' ' ' CYS . 15.9 t0 -117.33 51.71 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.821 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.539 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.4 OUTLIER -59.75 -24.57 64.15 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.351 179.404 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.455 ' HB2' ' HB2' ' A' ' 4' ' ' LYS . 2.7 tmtt? -140.58 135.65 32.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.676 -179.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -43.19 98.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.135 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 3.0 p . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.314 -0.851 . . . . 0.0 110.948 -179.715 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.821 0.343 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.8 tp -162.52 113.91 1.57 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 65.39 125.04 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.349 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.609 ' HG2' ' NE ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -110.37 -89.93 0.48 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.01 36.5 0.0 OUTLIER 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.7 -0.227 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.564 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 19.6 p -45.64 111.65 0.37 Allowed 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.19 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.882 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.7 OUTLIER 57.98 157.5 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.394 0.616 . . . . 0.0 112.409 179.488 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.1 mtp85 -101.37 31.22 3.81 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 116.24 17.66 6.13 Favored Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 114.8 -1.091 . . . . 0.0 111.194 -178.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 63.7 86.01 0.13 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.738 -0.231 . . . . 0.0 110.404 -179.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.609 ' HD2' ' HE3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -154.06 51.19 0.66 Allowed 'General case' 0 CA--C 1.529 0.171 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -179.549 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.64 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 0.1 OUTLIER -112.1 156.03 22.9 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 178.142 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.419 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -148.33 155.48 41.34 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -178.111 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.521 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 97.31 60.9 0.94 Allowed Glycine 0 C--N 1.338 0.681 0 CA-C-N 115.289 -0.869 . . . . 0.0 112.942 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.521 ' C ' ' O ' ' A' ' 14' ' ' GLY . 0.6 OUTLIER 13.35 87.9 0.01 OUTLIER 'General case' 0 C--N 1.346 0.45 0 C-N-CA 123.171 0.588 . . . . 0.0 112.056 -179.556 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.3 t 52.35 62.11 2.86 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.354 0.597 . . . . 0.0 109.459 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.637 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -82.01 156.12 24.81 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.055 -179.004 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.416 HG22 ' N ' ' A' ' 19' ' ' LEU . 2.7 m -53.61 -70.08 0.1 Allowed 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.422 ' HA ' HD22 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -43.42 -24.24 0.09 Allowed 'General case' 0 CA--C 1.522 -0.122 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.63 179.889 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.637 ' H ' HG22 ' A' ' 17' ' ' THR . 2.1 tm-20 -76.16 -63.73 1.26 Allowed 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 120.936 0.398 . . . . 0.0 110.147 179.271 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -53.65 -28.61 34.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.242 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.42 -39.8 45.68 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.127 179.098 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.62 ' HE2' ' HG3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -52.16 -45.2 64.98 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 178.802 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.53 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 3.2 m -70.09 -37.06 75.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.91 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.522 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.7 OUTLIER -75.01 -68.37 0.56 Allowed 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.023 0.379 . . . . 0.0 112.023 -179.201 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.8 p -50.65 -42.09 56.1 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -179.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.612 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.9 mp -85.41 -40.3 16.6 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -178.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.509 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -111.65 96.62 33.39 Favored Pre-proline 0 CA--C 1.53 0.192 0 C-N-CA 120.808 -0.357 . . . . 0.0 110.925 -178.829 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -74.83 72.87 4.4 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.289 1.993 . . . . 0.0 111.749 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.609 ' NE ' ' HG2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -115.91 -177.53 3.18 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.299 0.571 . . . . 0.0 112.182 -179.058 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.564 ' H ' ' HD2' ' A' ' 30' ' ' ARG . . . -112.38 -33.14 2.17 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.166 178.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.525 ' HG3' ' NH2' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -98.63 12.85 34.06 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.208 0.527 . . . . 0.0 110.056 179.084 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.561 ' O ' ' HB ' ' A' ' 34' ' ' THR . 20.0 t -101.17 147.06 26.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.308 179.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.561 ' HB ' ' O ' ' A' ' 33' ' ' CYS . 14.7 t 173.63 -140.43 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 O-C-N 123.287 0.367 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.545 ' N ' HG23 ' A' ' 34' ' ' THR . 0.0 OUTLIER -96.9 133.53 41.41 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.081 0.467 . . . . 0.0 111.294 -179.426 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.473 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.1 OUTLIER -141.81 118.94 11.33 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.802 179.876 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.44 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 26.7 t70 -129.18 156.39 44.01 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.808 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.8 m -99.85 -76.62 0.54 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.857 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -168.76 38.82 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.706 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 28.7 mtm -139.61 -172.86 3.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.797 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -80.38 -28.04 38.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -103.17 140.55 37.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.441 0.639 . . . . 0.0 111.515 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.64 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 5.4 p-80 -150.99 -172.14 4.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 114.968 -1.015 . . . . 0.0 108.979 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.56 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 78.8 p -154.27 -143.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 121.101 -0.24 . . . . 0.0 110.402 177.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.882 ' H ' HG22 ' A' ' 7' ' ' THR . 3.3 m -111.2 178.65 4.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.836 0.351 . . . . 0.0 111.395 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -150.53 40.02 0.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.053 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.517 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -56.52 -26.35 54.39 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-O 121.365 0.602 . . . . 0.0 110.042 179.303 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.595 ' HB3' ' SG ' ' A' ' 50' ' ' CYS . 8.6 tttm -130.5 150.87 51.52 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.749 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.31 77.33 0.16 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.556 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.595 ' SG ' ' HB3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.792 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.808 0.337 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.2 mt 57.24 33.71 23.71 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.155 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.7 mtp -61.91 166.46 4.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.67 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.572 ' HD2' ' HB2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -103.98 -172.14 2.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.922 0.392 . . . . 0.0 111.043 -179.844 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 5' ' ' ARG . 7.3 ptt180 -151.41 82.8 1.3 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.957 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.603 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 2.7 p -46.5 137.81 6.33 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.314 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.823 ' H ' ' HB2' ' A' ' 45' ' ' CYS . 0.4 OUTLIER 59.7 149.87 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.101 0 CA-C-O 121.415 0.626 . . . . 0.0 112.551 179.153 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.728 ' HD3' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.71 35.19 2.05 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 178.518 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.55 15.32 8.89 Favored Glycine 0 N--CA 1.445 -0.703 0 CA-C-N 114.825 -1.079 . . . . 0.0 110.667 -178.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.439 ' HA ' ' CB ' ' A' ' 44' ' ' SER . 0.8 OUTLIER 60.09 82.06 0.16 Allowed 'General case' 0 C--O 1.231 0.121 0 CA-C-N 115.309 -0.446 . . . . 0.0 110.566 -179.622 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.67 49.87 0.87 Allowed 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -179.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.671 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 0.5 OUTLIER -109.02 155.12 21.28 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 177.907 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.15 155.77 42.42 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 -177.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.503 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 97.92 58.94 0.96 Allowed Glycine 0 C--N 1.339 0.703 0 CA-C-N 115.228 -0.896 . . . . 0.0 113.108 179.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.503 ' C ' ' O ' ' A' ' 14' ' ' GLY . 90.4 mttt 16.98 83.7 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 122.995 0.518 . . . . 0.0 111.999 -179.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.416 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.4 OUTLIER 53.32 59.96 4.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.592 -178.637 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.554 ' HB ' ' HG2' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -82.97 154.47 24.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.733 -179.794 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.557 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.3 m -52.55 -55.53 21.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.76 179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.39 -23.77 2.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.434 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.554 ' HG2' ' HB ' ' A' ' 17' ' ' THR . 5.1 mm-40 -82.22 -49.16 10.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.595 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 18' ' ' THR . 12.3 pt-20 -63.48 -25.74 68.4 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 178.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -76.34 -43.65 40.05 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.693 178.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.553 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -50.9 -43.54 59.83 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 121.217 0.532 . . . . 0.0 109.692 178.894 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.584 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 17.8 m -64.71 -50.12 68.19 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.912 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.438 ' HE3' ' O ' ' A' ' 33' ' ' CYS . 0.8 OUTLIER -69.69 -68.41 0.41 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -179.258 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.44 ' OG1' HD23 ' A' ' 27' ' ' LEU . 62.6 p -45.87 -35.12 4.28 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -179.127 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.728 HD12 ' HD3' ' A' ' 8' ' ' ARG . 0.1 OUTLIER -85.1 -44.93 12.55 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.89 0.376 . . . . 0.0 110.41 -179.918 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.538 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -116.58 122.57 31.6 Favored Pre-proline 0 N--CA 1.462 0.15 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.402 -177.875 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -80.78 37.11 0.66 Allowed 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.326 2.017 . . . . 0.0 111.202 178.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.559 ' NE ' ' HB3' ' A' ' 4' ' ' LYS . 4.5 mpt_? -68.48 170.09 9.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.588 -0.733 . . . . 0.0 112.363 -178.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -117.23 -14.07 7.28 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.045 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -122.0 17.57 10.89 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 120.938 0.399 . . . . 0.0 110.437 179.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.584 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 17.0 t -99.69 153.77 18.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.269 179.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.488 HG23 ' N ' ' A' ' 35' ' ' CYS . 6.9 t 179.69 -152.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.077 -179.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.488 ' N ' HG23 ' A' ' 34' ' ' THR . 0.9 OUTLIER -97.75 135.48 39.46 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.105 0.478 . . . . 0.0 111.362 -179.415 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.481 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 64.0 p -137.54 122.97 19.56 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.592 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -129.52 151.84 49.7 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.703 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.12 -81.66 0.46 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.848 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -159.91 48.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.742 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 5.5 mtp -147.55 -179.56 6.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.839 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -82.51 -4.4 57.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.583 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.81 141.78 51.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.399 0.618 . . . . 0.0 111.467 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.671 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.0 p-80 -150.83 -172.95 4.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.983 -1.008 . . . . 0.0 108.897 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.509 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 65.8 p -154.28 -143.3 0.13 Allowed 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.726 177.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.823 ' HB2' ' H ' ' A' ' 7' ' ' THR . 58.6 m -105.12 173.44 6.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.906 0.384 . . . . 0.0 111.68 -179.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -150.92 46.76 0.85 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.216 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.579 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -65.96 -21.95 66.45 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.305 0.574 . . . . 0.0 110.08 179.424 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.603 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 1.8 tmtt? -135.76 125.0 24.6 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.134 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.8 t -38.75 93.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.407 -179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.422 ' N ' ' O ' ' A' ' 48' ' ' LYS . 26.2 p . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.923 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 13.4 m120 . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.784 0.326 . . . . 0.0 111.351 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.47 -25.26 66.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.872 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.2 mtt -162.84 -178.25 6.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.415 ' HG2' ' HG3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -138.93 162.34 35.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.605 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -132.97 104.91 6.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.18 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.716 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 1.7 p -50.57 123.72 9.38 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.232 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.493 ' HA ' ' NH1' ' A' ' 8' ' ' ARG . 0.6 OUTLIER 62.31 143.29 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.102 0 CA-C-O 121.35 0.595 . . . . 0.0 111.977 179.637 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.99 ' HD2' HD22 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.96 32.3 2.97 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 178.579 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.98 6.17 2.89 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 114.572 -1.195 . . . . 0.0 110.925 -178.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.3 t80 56.09 88.28 0.05 OUTLIER 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.482 -0.359 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.48 ' H ' ' HZ2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -163.12 57.98 0.19 Allowed 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -179.893 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.736 ' HD2' ' N ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -111.73 158.24 19.56 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.018 -1.104 . . . . 0.0 108.018 178.293 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.459 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -150.44 158.85 44.61 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -177.74 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.479 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 98.84 52.34 1.29 Allowed Glycine 0 C--N 1.34 0.778 0 CA-C-N 115.214 -0.903 . . . . 0.0 113.589 178.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 14' ' ' GLY . 1.6 mtmm 22.05 84.67 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 122.741 0.416 . . . . 0.0 111.678 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.9 t 53.63 55.78 8.11 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-O 121.257 0.551 . . . . 0.0 109.812 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.51 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -75.99 155.33 35.09 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.195 -179.283 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 m -55.26 -55.71 28.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.006 179.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -51.91 -23.48 5.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.863 179.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.527 ' HG3' ' N ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -74.89 -52.37 11.45 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.305 179.657 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.613 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 3.0 pt-20 -63.3 -34.83 78.53 Favored 'General case' 0 C--N 1.332 -0.152 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 178.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.52 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -71.21 -32.84 69.31 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.915 179.036 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.67 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -55.07 -64.93 0.68 Allowed 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.802 179.378 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.515 ' SG ' ' HB3' ' A' ' 33' ' ' CYS . 0.8 OUTLIER -68.56 -16.89 64.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.417 179.694 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.613 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -70.69 -72.73 0.19 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.814 0.34 . . . . 0.0 110.958 -179.536 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.5 p -57.49 -27.81 62.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.237 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.99 HD22 ' HD2' ' A' ' 8' ' ' ARG . 0.1 OUTLIER -81.0 -33.95 33.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.403 -179.78 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.6 ' CE2' ' HB3' ' A' ' 27' ' ' LEU . 4.7 m-85 -141.11 109.84 6.42 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.561 -178.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -83.48 51.43 3.54 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 122.809 2.339 . . . . 0.0 112.341 179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.751 ' HD3' ' H ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -85.4 -157.66 0.33 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.402 -179.7 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.751 ' H ' ' HD3' ' A' ' 30' ' ' ARG . . . -125.08 -8.54 5.52 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 110.515 -1.034 . . . . 0.0 110.515 178.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.1 mt-30 -134.87 15.08 3.6 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.324 -0.438 . . . . 0.0 110.626 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.64 ' SG ' ' HB2' ' A' ' 30' ' ' ARG . 85.6 m -99.59 63.97 1.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.71 179.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.492 HG23 ' N ' ' A' ' 35' ' ' CYS . 8.9 t -115.15 -130.46 0.31 Allowed 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.662 -178.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.492 ' N ' HG23 ' A' ' 34' ' ' THR . 0.0 OUTLIER -98.83 146.23 26.15 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.967 0.413 . . . . 0.0 111.471 -179.298 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.513 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 10.6 t -149.85 106.82 3.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.344 179.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.518 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 29.9 t0 -115.19 162.71 16.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.554 -179.294 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.6 t -130.09 16.35 5.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.557 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 85.1 mttt 68.12 66.07 0.35 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.216 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.491 ' O ' ' HB3' ' A' ' 41' ' ' ASN . 8.4 mtp -150.5 17.22 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.78 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.491 ' HB3' ' O ' ' A' ' 40' ' ' MET . 40.3 t30 77.2 -41.15 0.37 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.572 -179.147 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -105.72 140.21 39.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.146 0.498 . . . . 0.0 110.449 178.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.601 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 6.7 p-80 -150.75 -171.14 3.85 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.603 -179.47 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.553 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 74.5 p -153.26 -149.15 0.28 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.238 177.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.591 ' HB3' HH22 ' A' ' 8' ' ' ARG . 0.0 OUTLIER -119.56 147.54 44.35 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.129 0.49 . . . . 0.0 112.032 -179.218 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -101.57 49.95 0.86 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.139 179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.545 ' CB ' ' HA ' ' A' ' 6' ' ' CYS . 0.5 OUTLIER -49.45 -29.73 6.99 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.355 179.529 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.716 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 7.3 tttm -144.35 141.45 29.73 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.377 -1.283 . . . . 0.0 110.525 -179.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.7 t -56.21 93.54 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.736 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 27.0 p . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.908 -179.737 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.875 0.369 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.03 7.85 8.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.935 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER 58.64 -94.41 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.032 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.635 ' HB3' ' NE ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -130.81 -177.76 4.51 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.739 179.895 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -145.02 86.32 1.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.143 -179.866 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.651 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 1.6 p -48.25 122.79 5.62 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 179.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.559 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.6 OUTLIER 59.54 147.21 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 121.124 0.488 . . . . 0.0 112.005 179.696 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.796 ' HD2' HD12 ' A' ' 27' ' ' LEU . 2.6 mtp-105 -99.46 29.71 3.89 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 178.241 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 130.74 14.83 1.83 Allowed Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 114.411 -1.268 . . . . 0.0 111.144 -178.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.3 t80 57.83 86.46 0.08 Allowed 'General case' 0 C--O 1.231 0.124 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -153.22 55.87 0.77 Allowed 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 -179.219 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.739 ' HG3' ' HE2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -111.96 150.97 29.79 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 107.721 -1.214 . . . . 0.0 107.721 177.674 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.4 ' H ' ' CD ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -146.7 154.76 41.8 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -177.603 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.498 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 104.89 45.65 1.36 Allowed Glycine 0 C--N 1.337 0.598 0 CA-C-N 115.171 -0.922 . . . . 0.0 113.28 179.162 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.475 ' N ' ' HE1' ' A' ' 43' ' ' HIS . 0.9 OUTLIER 31.51 82.17 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 120.72 0.295 . . . . 0.0 111.236 -179.882 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.458 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 49.71 53.82 12.1 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.353 0.597 . . . . 0.0 109.994 -178.591 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.573 ' HB ' ' HG2' ' A' ' 20' ' ' GLU . 0.8 OUTLIER -74.18 155.7 38.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.101 -179.523 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.445 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -50.65 -59.94 3.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.544 179.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.426 ' N ' HG22 ' A' ' 18' ' ' THR . 0.2 OUTLIER -46.07 -37.97 7.4 Favored 'General case' 0 CA--C 1.511 -0.539 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.227 -179.858 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.573 ' HG2' ' HB ' ' A' ' 17' ' ' THR . 5.8 mm-40 -65.79 -53.06 45.35 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.98 -179.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 18' ' ' THR . 8.8 pt-20 -59.76 -34.17 72.63 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 178.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.432 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -65.73 -41.8 91.79 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.34 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.739 ' HE2' ' HG3' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -53.49 -50.18 65.9 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 108.651 -0.87 . . . . 0.0 108.651 178.493 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.462 ' HA ' ' HD2' ' A' ' 28' ' ' TYR . 2.9 m -52.53 -38.77 60.4 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.034 179.116 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -77.86 -77.01 0.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.128 -179.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.7 p -45.92 -35.89 5.0 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.796 HD12 ' HD2' ' A' ' 8' ' ' ARG . 2.8 mm? -80.69 -42.01 22.72 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-O 120.782 0.325 . . . . 0.0 111.387 -179.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.462 ' HD2' ' HA ' ' A' ' 24' ' ' CYS . 1.4 m-85 -129.22 110.82 18.09 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 -177.52 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_endo -80.4 63.56 8.77 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.502 2.135 . . . . 0.0 111.962 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.635 ' NE ' ' HB3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -107.71 169.35 8.65 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.307 0.575 . . . . 0.0 112.09 -179.051 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -102.79 -16.03 22.89 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.88 178.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.5 mp0 -115.27 14.52 16.88 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.007 0.432 . . . . 0.0 110.256 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.706 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 49.3 t -99.59 137.9 37.44 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.685 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.471 HG23 ' N ' ' A' ' 35' ' ' CYS . 6.0 t -171.75 -155.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.84 -0.344 . . . . 0.0 111.232 -179.151 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.471 ' N ' HG23 ' A' ' 34' ' ' THR . 1.3 t -96.51 117.35 30.73 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.241 0.543 . . . . 0.0 111.543 -178.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.0 p -115.45 131.52 56.9 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.449 179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -147.03 158.14 43.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.75 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.6 m -106.79 -66.95 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.674 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -174.26 47.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.79 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.5 mmm -141.34 163.26 33.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.92 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 56.3 t30 -63.56 -20.62 65.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.84 143.04 40.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.475 0.655 . . . . 0.0 111.467 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.654 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.1 p-80 -150.92 -172.94 4.34 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.824 -1.08 . . . . 0.0 108.673 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.599 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 73.9 p -154.13 -154.65 0.53 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.862 177.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.559 ' H ' HG22 ' A' ' 7' ' ' THR . 45.0 m -121.68 118.66 29.69 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.876 0.369 . . . . 0.0 111.263 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -99.55 71.2 1.72 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.971 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.706 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 1.6 m -69.93 -23.28 63.18 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.58 0.705 . . . . 0.0 109.367 178.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.651 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -128.13 135.22 49.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.708 -1.133 . . . . 0.0 110.22 179.735 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.6 t -55.24 87.96 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.761 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.402 ' N ' ' O ' ' A' ' 48' ' ' LYS . 7.7 p . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.943 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.42 0 CA-C-O 120.861 0.363 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -99.21 138.52 36.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.82 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.701 ' HB3' ' HE2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -136.61 -82.86 0.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.755 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.703 ' HG2' ' HD2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -143.84 169.15 18.32 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.671 179.818 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.92 104.27 4.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.957 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.66 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 1.6 p -49.11 128.01 15.56 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.639 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.487 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.6 OUTLIER 60.45 135.84 0.01 OUTLIER 'General case' 0 C--O 1.231 0.128 0 CA-C-O 120.98 0.419 . . . . 0.0 111.386 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.552 ' NE ' ' HE2' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -99.26 31.51 3.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.696 0.76 . . . . 0.0 109.136 178.667 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 136.72 5.7 1.9 Allowed Glycine 0 N--CA 1.445 -0.749 0 CA-C-N 114.484 -1.235 . . . . 0.0 111.093 -179.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.4 t80 57.1 85.58 0.08 Allowed 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.656 -0.272 . . . . 0.0 110.585 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.05 55.0 0.65 Allowed 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.639 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 0.4 OUTLIER -112.08 159.23 18.7 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 107.849 -1.167 . . . . 0.0 107.849 177.891 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.462 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -150.8 161.5 42.54 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -178.227 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.516 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 94.78 58.45 1.18 Allowed Glycine 0 C--N 1.339 0.713 0 CA-C-N 115.309 -0.859 . . . . 0.0 113.349 179.077 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.516 ' C ' ' O ' ' A' ' 14' ' ' GLY . 30.7 mttt 14.39 88.52 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.109 0.563 . . . . 0.0 112.053 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.1 t 52.56 58.72 5.09 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.336 0.588 . . . . 0.0 109.716 -178.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.692 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -79.22 155.94 28.38 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.539 -178.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.616 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.5 m -57.31 -57.21 13.61 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.476 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -51.58 -21.8 2.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.648 179.586 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.692 ' H ' HG22 ' A' ' 17' ' ' THR . 0.0 OUTLIER -77.66 -52.87 8.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.439 179.639 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.616 ' HG2' ' O ' ' A' ' 18' ' ' THR . 7.4 pt-20 -64.13 -30.31 71.39 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.311 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.35 -34.52 55.14 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.05 179.188 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.535 ' HG3' HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -52.53 -63.79 1.03 Allowed 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 178.661 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.58 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 1.1 m -51.91 -53.41 41.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.167 -0.924 . . . . 0.0 111.264 179.182 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.538 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -52.04 -40.98 61.91 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -178.748 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -67.51 -39.98 85.15 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -178.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.539 HD22 ' HD3' ' A' ' 8' ' ' ARG . 0.0 OUTLIER -83.69 -48.31 10.29 Favored 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.903 -179.206 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.552 ' HE2' ' NE ' ' A' ' 8' ' ' ARG . 1.7 m-85 -122.99 111.79 30.63 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.027 -179.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -81.25 44.37 1.73 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.619 2.213 . . . . 0.0 111.982 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.703 ' HD2' ' HG2' ' A' ' 4' ' ' LYS . 8.8 mmt180 -76.59 -175.49 3.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.869 -179.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -107.05 -13.94 20.17 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.257 178.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -121.96 12.03 10.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.235 0.54 . . . . 0.0 110.376 179.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.58 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 18.1 t -99.99 69.99 1.56 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.785 179.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.524 HG23 ' N ' ' A' ' 35' ' ' CYS . 12.3 t -122.57 -132.93 0.28 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.428 -178.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.524 ' N ' HG23 ' A' ' 34' ' ' THR . 0.0 OUTLIER -97.49 137.7 36.04 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.132 0.491 . . . . 0.0 111.302 -179.271 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.514 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.6 OUTLIER -145.85 112.14 5.78 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.496 179.816 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -123.87 156.06 36.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.95 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 37.4 m -100.21 -74.33 0.61 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.755 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.38 38.36 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -138.96 -173.59 3.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.814 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -82.48 -17.71 44.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.847 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.47 140.12 47.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.373 0.606 . . . . 0.0 111.579 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.639 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 7.7 p-80 -151.22 -172.51 4.23 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.93 -1.032 . . . . 0.0 108.937 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.596 ' HB2' ' HE2' ' A' ' 12' ' ' LYS . 77.8 p -153.91 -146.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.701 177.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.487 ' H ' HG22 ' A' ' 7' ' ' THR . 5.1 m -109.11 177.39 4.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.036 0.446 . . . . 0.0 111.55 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -149.5 47.2 0.96 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.853 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.516 ' HB3' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -58.82 -24.91 62.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.306 179.414 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.66 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -127.34 141.46 51.7 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.653 -179.679 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.16 91.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.962 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 25.7 p . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.215 -0.898 . . . . 0.0 110.945 -179.879 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 11.4 m120 . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.727 0.299 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 mp 55.63 44.38 26.64 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.743 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 14.6 ptp -155.6 129.53 8.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.19 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.619 ' HE3' ' HG2' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -149.05 122.11 8.85 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.988 179.841 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.619 ' HG2' ' HE3' ' A' ' 4' ' ' LYS . 7.2 ptt180 -59.56 102.24 0.14 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.462 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.539 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 0.8 OUTLIER -49.66 139.85 12.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.227 179.685 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.827 ' H ' ' HB2' ' A' ' 45' ' ' CYS . 0.6 OUTLIER 59.84 153.06 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.366 0.603 . . . . 0.0 112.352 179.237 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.543 ' H ' ' HZ3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -99.73 34.74 2.17 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.401 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 115.3 14.61 8.19 Favored Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.762 -178.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 60.78 84.15 0.13 Allowed 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.527 -0.336 . . . . 0.0 110.489 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.71 53.1 0.59 Allowed 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.672 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -110.99 154.01 24.75 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 178.239 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -148.96 155.81 41.36 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -177.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.494 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 102.85 47.95 1.31 Allowed Glycine 0 C--N 1.338 0.663 0 CA-C-N 115.27 -0.877 . . . . 0.0 113.199 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.46 ' N ' ' HE1' ' A' ' 43' ' ' HIS . 1.8 mmtp 27.28 83.12 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.815 0.34 . . . . 0.0 111.525 -179.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.415 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 52.36 52.59 13.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.196 0.522 . . . . 0.0 110.504 -179.109 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.563 ' HB ' ' HG2' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -75.62 154.22 36.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.635 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.589 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -51.72 -55.43 19.67 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.659 179.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -50.24 -25.66 3.91 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.403 -179.698 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.563 ' HG2' ' HB ' ' A' ' 17' ' ' THR . 3.6 mm-40 -80.03 -49.45 11.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.486 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.589 ' HG2' ' HA ' ' A' ' 18' ' ' THR . 7.3 pt-20 -65.94 -23.01 66.53 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 178.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.24 -38.49 35.46 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.047 -0.979 . . . . 0.0 109.619 178.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.624 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -53.73 -51.0 64.72 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.53 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.569 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 3.3 m -67.99 -33.68 75.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.044 -0.98 . . . . 0.0 112.198 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.541 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -77.72 -72.25 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.08 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.424 ' OG1' HD12 ' A' ' 27' ' ' LEU . 81.9 p -48.14 -39.65 21.29 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -179.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.624 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.7 mp -85.49 -38.44 18.58 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.771 -179.193 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.542 ' OH ' ' HD2' ' A' ' 8' ' ' ARG . 0.2 OUTLIER -116.14 105.36 51.03 Favored Pre-proline 0 CA--C 1.529 0.164 0 C-N-CA 120.803 -0.359 . . . . 0.0 111.399 -178.558 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -79.91 69.85 7.76 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.181 1.921 . . . . 0.0 111.153 178.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.437 ' HA ' ' HE ' ' A' ' 30' ' ' ARG . 1.6 mmp_? -109.45 -176.42 3.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.424 0.63 . . . . 0.0 112.293 -178.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -118.54 -24.88 3.03 Favored Glycine 0 N--CA 1.447 -0.582 0 CA-C-N 114.986 -1.007 . . . . 0.0 111.27 179.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.72 12.73 24.01 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.085 0.469 . . . . 0.0 110.285 179.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.569 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 32.1 t -101.13 145.39 28.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.364 179.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.49 HG23 ' N ' ' A' ' 35' ' ' CYS . 12.2 t -179.28 -147.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.011 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.49 ' N ' HG23 ' A' ' 34' ' ' THR . 0.5 OUTLIER -97.95 139.79 33.26 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-O 120.977 0.418 . . . . 0.0 111.215 -179.567 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.458 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.6 OUTLIER -139.04 111.73 7.72 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.606 179.822 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.407 ' HA ' ' HB3' ' A' ' 43' ' ' HIS . 23.8 t70 -126.19 158.67 35.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.026 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 73.4 m -117.55 -80.97 0.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.703 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.86 60.88 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.735 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.465 ' O ' ' HB3' ' A' ' 41' ' ' ASN . 5.7 mtm -150.07 14.42 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.31 -179.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.465 ' HB3' ' O ' ' A' ' 40' ' ' MET . 50.4 t30 74.93 -32.35 0.22 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.18 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.413 ' H ' ' C ' ' A' ' 40' ' ' MET . 0.1 OUTLIER -100.24 143.89 29.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.227 0.537 . . . . 0.0 110.886 179.397 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.672 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 2.8 p-80 -150.47 -174.77 4.86 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.367 -179.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.488 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 77.7 p -154.12 -146.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.976 -0.289 . . . . 0.0 110.455 177.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.827 ' HB2' ' H ' ' A' ' 7' ' ' THR . 34.5 m -104.34 171.54 7.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.02 0.438 . . . . 0.0 111.413 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -150.63 43.24 0.82 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.412 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.543 ' HB3' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -62.66 -23.77 67.28 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.323 0.582 . . . . 0.0 109.883 179.174 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.539 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -132.43 136.14 46.55 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.532 -179.879 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -48.5 94.38 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.118 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 20.7 p . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.941 -179.956 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 23.4 m120 . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.756 0.312 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 56.6 26.33 10.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.988 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.83 148.67 49.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.017 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.737 ' HG2' ' HD2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -123.98 -154.83 0.63 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.734 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -161.55 67.95 0.29 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.083 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.756 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 12.4 p -49.51 127.4 15.36 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.009 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.87 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.6 OUTLIER 59.76 153.93 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.303 0.573 . . . . 0.0 112.325 179.414 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.416 ' NH1' ' HD2' ' A' ' 23' ' ' LYS . 11.7 mtp-105 -103.43 29.73 5.45 Favored 'General case' 0 CA--C 1.518 -0.26 0 N-CA-C 108.79 -0.819 . . . . 0.0 108.79 178.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.38 17.72 4.31 Favored Glycine 0 N--CA 1.446 -0.654 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.007 -178.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.4 t80 61.49 93.26 0.05 OUTLIER 'General case' 0 C--O 1.231 0.118 0 CA-C-N 115.716 -0.242 . . . . 0.0 110.84 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.01 52.35 0.27 Allowed 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.815 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -112.75 157.56 21.17 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 177.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.475 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.1 OUTLIER -148.83 155.39 40.85 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -178.243 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.536 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 95.75 59.68 1.06 Allowed Glycine 0 C--N 1.341 0.858 0 CA-C-N 115.174 -0.921 . . . . 0.0 113.421 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.508 ' N ' ' CE1' ' A' ' 43' ' ' HIS . 3.5 mttp 19.94 84.09 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 122.978 0.511 . . . . 0.0 111.932 -179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.413 ' H ' ' CD2' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 49.3 55.76 8.85 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.551 0.691 . . . . 0.0 109.834 -178.516 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.55 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.6 OUTLIER -74.12 159.25 32.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 114.783 -1.099 . . . . 0.0 111.509 -179.103 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.585 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.1 m -57.12 -49.95 74.31 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.322 179.287 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.523 ' O ' ' HG3' ' A' ' 22' ' ' GLU . 0.2 OUTLIER -54.86 -24.83 24.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.554 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.815 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -85.91 -41.23 15.11 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.623 179.267 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.585 ' HG2' ' HA ' ' A' ' 18' ' ' THR . 5.2 pt-20 -65.24 -34.19 77.78 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.089 179.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.625 ' HG3' ' H ' ' A' ' 23' ' ' LYS . 1.6 pp20? -72.07 -52.05 18.7 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 178.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.625 ' H ' ' HG3' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -38.77 -44.78 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.887 178.548 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 45.0 m -70.37 -45.54 65.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.244 -0.889 . . . . 0.0 112.718 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.483 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -72.31 -65.38 0.79 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.793 0.33 . . . . 0.0 111.83 -178.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.467 ' OG1' HD12 ' A' ' 27' ' ' LEU . 46.3 p -49.42 -44.45 45.36 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -179.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.613 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 6.2 mp -85.76 -40.4 16.12 Favored 'General case' 0 CA--C 1.528 0.121 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 -178.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.515 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.2 OUTLIER -111.4 114.13 53.21 Favored Pre-proline 0 CA--C 1.531 0.25 0 C-N-CA 120.899 -0.32 . . . . 0.0 111.499 -178.337 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -89.03 89.76 0.4 Allowed 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 122.771 2.314 . . . . 0.0 111.541 178.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.737 ' HD2' ' HG2' ' A' ' 4' ' ' LYS . 0.7 OUTLIER -139.28 -178.89 5.57 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.348 0.594 . . . . 0.0 112.263 -178.773 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -111.23 -32.13 2.66 Favored Glycine 0 N--CA 1.448 -0.553 0 CA-C-N 115.114 -0.948 . . . . 0.0 111.144 178.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.41 15.09 28.97 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.352 0.596 . . . . 0.0 109.813 179.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.521 ' HB2' ' HB3' ' A' ' 47' ' ' CYS . 35.0 t -103.11 137.23 41.56 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.256 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.447 HG23 ' N ' ' A' ' 35' ' ' CYS . 6.7 t -177.24 -155.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.146 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.447 ' N ' HG23 ' A' ' 34' ' ' THR . 2.7 p -96.48 128.33 43.31 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-O 121.259 0.552 . . . . 0.0 111.086 -179.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.436 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 4.5 t -137.68 126.54 24.03 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.341 -179.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.474 ' HA ' ' HB3' ' A' ' 43' ' ' HIS . 1.8 p30 -119.57 164.95 15.07 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.597 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.5 m -101.3 -72.75 0.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.694 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.36 37.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.448 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 14.3 mtt -140.57 -158.01 0.82 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.603 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -92.22 -27.04 17.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.043 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.22 141.62 35.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.518 0.675 . . . . 0.0 111.638 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.639 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 2.9 p-80 -151.35 -174.12 4.72 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.768 -1.106 . . . . 0.0 108.748 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.596 ' HB2' ' HE2' ' A' ' 12' ' ' LYS . 90.9 p -154.51 -143.75 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.354 -0.538 . . . . 0.0 111.132 177.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.87 ' H ' HG22 ' A' ' 7' ' ' THR . 0.1 OUTLIER -101.09 170.62 8.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.065 0.46 . . . . 0.0 111.99 -179.342 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -150.79 33.69 0.61 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.393 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.521 ' HB3' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -57.44 -25.17 59.23 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.383 0.611 . . . . 0.0 109.935 179.096 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.756 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -133.22 136.18 45.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.398 -179.799 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -45.06 94.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.066 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 48' ' ' LYS . 29.7 p . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.93 -179.632 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.831 0.348 . . . . 0.0 111.28 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.3 -59.25 0.24 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.86 -81.5 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.673 ' HG2' ' HE ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -132.83 -36.16 1.06 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.859 -179.992 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.416 ' HE ' ' HB2' ' A' ' 5' ' ' ARG . 7.1 ttm180 57.19 83.0 0.11 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.453 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 1.6 p -57.57 136.33 56.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.243 179.86 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.833 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.6 OUTLIER 58.5 165.67 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.3 0.571 . . . . 0.0 112.364 179.084 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.712 HH11 ' HD2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -107.58 23.56 14.26 Favored 'General case' 0 CA--C 1.514 -0.415 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 177.976 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.21 20.25 2.5 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 114.142 -1.39 . . . . 0.0 110.926 -178.367 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.439 ' HD1' ' OG ' ' A' ' 44' ' ' SER . 51.7 t80 63.29 88.66 0.1 Allowed 'General case' 0 C--O 1.231 0.107 0 CA-C-N 115.601 -0.3 . . . . 0.0 110.449 -179.589 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.536 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -158.56 52.0 0.41 Allowed 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -179.611 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.794 ' HE2' ' HG2' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -111.98 150.5 30.48 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 177.398 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -142.86 153.27 43.0 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 -177.415 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.492 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 108.78 36.73 2.16 Favored Glycine 0 C--N 1.338 0.693 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.919 179.354 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.511 ' N ' ' CE1' ' A' ' 43' ' ' HIS . 5.5 mttt 33.96 86.24 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.008 0.432 . . . . 0.0 111.133 -179.028 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.421 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 49.28 55.62 9.06 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.249 -178.194 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.582 ' HB ' ' HG2' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -81.24 153.7 27.01 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.011 -0.995 . . . . 0.0 110.631 -179.831 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.563 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.9 m -52.0 -59.28 4.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.876 179.693 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.16 -22.92 1.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.523 -179.513 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.696 ' HB3' ' HB3' ' A' ' 12' ' ' LYS . 9.7 mm-40 -84.05 -48.14 10.21 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.979 -0.288 . . . . 0.0 110.861 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.563 ' HG2' ' HA ' ' A' ' 18' ' ' THR . 1.4 pt-20 -62.87 -29.64 70.9 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.878 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.459 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -78.07 -40.24 39.16 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.476 179.156 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.794 ' HG2' ' HE2' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -49.85 -56.9 8.67 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-O 121.746 0.784 . . . . 0.0 109.15 178.766 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.558 ' SG ' ' SG ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -66.54 -29.8 69.96 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.756 -1.111 . . . . 0.0 111.236 179.588 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.548 ' HB2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -72.13 -77.43 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.205 -0.452 . . . . 0.0 112.094 -179.522 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.9 p -48.98 -31.74 7.97 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.754 0.649 . . . . 0.0 112.754 -178.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.581 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 4.6 mp -85.41 -34.51 21.69 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.294 -179.503 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.64 ' HB2' ' SG ' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -120.32 106.08 40.99 Favored Pre-proline 0 CA--C 1.531 0.237 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.805 -179.236 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -82.82 90.05 1.08 Allowed 'Trans proline' 0 N--CA 1.463 -0.299 0 C-N-CA 122.373 2.049 . . . . 0.0 112.058 179.451 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.673 ' HE ' ' HG2' ' A' ' 4' ' ' LYS . 4.5 mmt180 -141.51 -173.17 3.69 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 121.261 0.553 . . . . 0.0 111.996 -179.067 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -107.28 -49.95 0.84 Allowed Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.143 178.79 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.491 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 27.7 mm-40 -82.61 12.54 4.54 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.535 0.683 . . . . 0.0 109.505 178.687 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.64 ' SG ' ' HB2' ' A' ' 28' ' ' TYR . 12.4 t -105.02 116.96 32.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.803 -1.089 . . . . 0.0 110.499 -179.571 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.49 HG23 ' N ' ' A' ' 35' ' ' CYS . 14.0 t -167.37 -138.26 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.419 -179.571 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.49 ' N ' HG23 ' A' ' 34' ' ' THR . 13.6 t -98.17 137.35 37.07 Favored 'General case' 0 C--N 1.331 -0.214 0 O-C-N 121.826 -0.547 . . . . 0.0 111.314 -179.546 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.523 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -136.64 105.21 5.8 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.583 179.848 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.415 ' HB2' ' CG ' ' A' ' 43' ' ' HIS . 1.4 t70 -130.96 114.94 15.85 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.783 -179.914 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.2 t -150.74 14.27 0.74 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.924 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -110.28 -75.5 0.62 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.196 -179.641 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.3 ttm -150.42 -150.92 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.392 -179.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -59.78 -19.67 51.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.712 179.488 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.22 140.63 37.56 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 121.39 0.614 . . . . 0.0 111.575 179.822 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.691 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 7.2 p-80 -151.2 -176.04 5.4 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.47 -179.76 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.608 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 90.2 p -154.88 -145.57 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 121.082 -0.247 . . . . 0.0 110.393 177.352 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.833 ' H ' HG22 ' A' ' 7' ' ' THR . 44.8 t -113.79 171.03 7.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.547 0.213 . . . . 0.0 110.791 179.53 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -150.38 48.17 0.89 Allowed 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -179.635 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.597 ' HB2' ' HB2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -59.88 -30.25 68.87 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.159 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.453 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -121.29 137.68 54.58 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.234 -1.348 . . . . 0.0 110.118 179.619 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.6 92.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.049 -179.829 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.415 ' N ' ' O ' ' A' ' 48' ' ' LYS . 31.8 p . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.885 -179.563 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 . . . . . 0 N--CA 1.485 1.281 0 CA-C-O 120.806 0.336 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.9 mt -103.83 94.39 5.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.921 -179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.415 ' H ' ' HG2' ' A' ' 3' ' ' MET . 0.0 OUTLIER -120.22 -167.96 1.54 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.847 179.959 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.878 ' HD2' ' HB2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -106.37 -106.93 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.883 -179.858 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.96 34.02 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.483 0.183 . . . . 0.0 111.168 -179.897 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.822 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 25.4 p -46.51 114.18 0.77 Allowed 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.377 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.74 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.4 OUTLIER 59.7 147.83 0.01 OUTLIER 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.416 0.627 . . . . 0.0 112.634 179.367 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.411 HH11 ' HB2' ' A' ' 8' ' ' ARG . 0.1 OUTLIER -99.57 33.3 2.53 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 177.716 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.17 38.44 4.31 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 110.074 -1.21 . . . . 0.0 110.074 -177.694 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.544 ' HE1' ' HA ' ' A' ' 43' ' ' HIS . 0.2 OUTLIER 65.03 81.44 0.21 Allowed 'General case' 0 CA--C 1.521 -0.14 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 -178.154 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.525 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -130.99 41.87 3.3 Favored 'General case' 0 N--CA 1.457 -0.104 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 -177.699 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.839 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 3.3 mptt -132.47 154.86 49.48 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.292 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.456 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -151.82 157.0 41.33 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -178.534 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 95.2 56.22 1.3 Allowed Glycine 0 C--N 1.338 0.676 0 CA-C-N 115.619 -0.718 . . . . 0.0 113.481 179.088 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 14' ' ' GLY . 1.2 mttp 21.93 86.66 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 122.93 0.492 . . . . 0.0 111.835 179.896 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 51.29 64.35 1.88 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.401 0.619 . . . . 0.0 110.109 -178.655 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.456 ' HB ' ' O ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -83.08 153.09 25.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.008 -179.425 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.8 m -54.26 -56.93 13.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.874 0.368 . . . . 0.0 110.254 179.356 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -52.19 -20.61 2.7 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.904 -179.937 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.839 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -80.52 -50.41 10.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.388 179.68 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.712 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 3.4 pt-20 -61.0 -38.94 87.82 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.226 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.58 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -68.87 -41.15 78.79 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.293 179.174 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.506 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -49.8 -40.25 41.09 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.784 0.802 . . . . 0.0 108.953 178.718 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 61.0 m -72.3 -34.86 68.44 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 114.43 -1.259 . . . . 0.0 112.015 -179.832 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.712 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 9.6 mmpt? -73.96 -63.07 1.29 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.81 0.338 . . . . 0.0 111.761 -179.219 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.6 p -55.03 -43.68 73.96 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.487 -178.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.506 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 6.2 mp -86.02 -40.14 16.1 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -178.55 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.502 ' N ' ' CD1' ' A' ' 28' ' ' TYR . 0.3 OUTLIER -112.36 112.29 51.97 Favored Pre-proline 0 CA--C 1.534 0.344 0 C-N-CA 120.671 -0.412 . . . . 0.0 112.077 -178.202 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -89.01 90.24 0.4 Allowed 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 122.695 2.263 . . . . 0.0 111.632 178.854 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.77 ' HD2' ' HG2' ' A' ' 4' ' ' LYS . 4.1 mmt180 -142.17 -174.28 4.06 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.404 0.621 . . . . 0.0 112.265 -178.916 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -113.27 -35.73 1.58 Allowed Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 114.915 -1.039 . . . . 0.0 111.046 178.692 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.434 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 0.6 OUTLIER -96.04 14.72 22.82 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.382 0.611 . . . . 0.0 109.65 178.788 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.693 ' HB2' ' HB2' ' A' ' 30' ' ' ARG . 15.4 t -99.66 133.05 44.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.025 -0.989 . . . . 0.0 110.097 179.896 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.52 HG23 ' N ' ' A' ' 35' ' ' CYS . 11.5 t -176.11 -144.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.123 -179.337 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.52 ' N ' HG23 ' A' ' 34' ' ' THR . 0.7 OUTLIER -97.58 135.68 39.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.134 0.493 . . . . 0.0 111.423 -179.323 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.516 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 3.2 t -141.71 123.45 15.18 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.089 -179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.441 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 19.5 t70 -125.05 155.89 39.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.749 179.901 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.12 -73.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.932 179.877 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.03 40.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.669 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.9 mtm -145.83 -179.13 6.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.888 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -72.63 -30.79 64.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 -179.86 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.78 140.22 34.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.332 0.587 . . . . 0.0 111.742 -179.769 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.631 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 8.8 p-80 -150.58 -177.48 6.0 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.153 179.839 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.692 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 25.3 p -153.65 -142.97 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.4 178.108 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.74 ' H ' HG22 ' A' ' 7' ' ' THR . 0.1 OUTLIER -99.77 176.68 5.37 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -178.21 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.481 ' HB2' ' CB ' ' A' ' 36' ' ' SER . 4.5 t70 -151.83 25.45 0.65 Allowed 'General case' 0 C--O 1.231 0.109 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.145 179.569 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.471 ' HB3' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -54.26 -24.64 19.59 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.371 0.605 . . . . 0.0 109.976 179.415 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.878 ' HB2' ' HD2' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -133.86 128.97 35.74 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.377 -179.76 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.31 85.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.503 179.807 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.44 ' N ' ' O ' ' A' ' 48' ' ' LYS . 6.8 p . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.959 -179.534 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.778 0.323 . . . . 0.0 111.341 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 mt -153.11 4.25 0.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.054 179.882 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.6 ttm -144.89 109.49 4.95 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.979 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.476 ' HG2' ' HB3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -122.99 -151.71 0.49 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.867 179.996 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -150.25 77.25 1.3 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.807 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.748 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 20.1 p -40.36 111.0 0.17 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.231 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.806 HG22 ' H ' ' A' ' 45' ' ' CYS . 0.8 OUTLIER 62.02 150.16 0.02 OUTLIER 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.239 0.542 . . . . 0.0 111.691 -179.989 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.641 ' H ' ' HZ3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -99.39 35.2 2.0 Allowed 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.752 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.76 18.48 6.93 Favored Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 114.906 -1.043 . . . . 0.0 110.969 -178.74 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.417 ' HA ' ' CB ' ' A' ' 44' ' ' SER . 1.1 t80 58.93 78.03 0.28 Allowed 'General case' 0 N--CA 1.457 -0.084 0 CA-C-N 115.668 -0.266 . . . . 0.0 110.336 -179.569 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.48 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -149.09 54.98 0.98 Allowed 'General case' 0 CA--C 1.529 0.163 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -179.266 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.699 ' HE3' ' HG2' ' A' ' 23' ' ' LYS . 0.2 OUTLIER -112.46 157.47 21.05 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.35 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.411 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -145.7 158.82 43.81 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -178.398 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.533 ' O ' ' C ' ' A' ' 15' ' ' LYS . . . 92.27 64.07 1.13 Allowed Glycine 0 C--N 1.337 0.622 0 CA-C-N 115.344 -0.844 . . . . 0.0 112.827 179.739 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.533 ' C ' ' O ' ' A' ' 14' ' ' GLY . 14.1 mtmt 5.51 91.51 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.309 0.644 . . . . 0.0 112.087 -179.561 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.0 t 54.71 68.43 0.86 Allowed 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.532 -178.329 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.663 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.6 OUTLIER -93.34 158.15 15.88 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.213 -178.775 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.578 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 4.6 m -55.84 -71.89 0.08 Allowed 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 179.123 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.486 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -42.29 -23.72 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.722 -179.924 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.669 ' OE1' ' HB2' ' A' ' 35' ' ' CYS . 2.0 tm-20 -77.38 -64.5 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.266 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.578 ' HG2' ' O ' ' A' ' 18' ' ' THR . 8.7 pt-20 -52.16 -30.82 28.59 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.677 0.751 . . . . 0.0 109.007 178.41 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.37 -42.51 53.88 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.295 179.366 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.699 ' HG2' ' HE3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -45.6 -47.55 14.66 Favored 'General case' 0 CA--C 1.519 -0.235 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 178.57 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.599 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 2.9 m -59.86 -54.57 44.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.641 -1.163 . . . . 0.0 111.027 178.631 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.594 ' HE3' ' HB2' ' A' ' 24' ' ' CYS . 0.0 OUTLIER -65.38 -78.78 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -179.19 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.451 ' OG1' HD12 ' A' ' 27' ' ' LEU . 73.7 p -34.71 -43.41 0.18 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -178.848 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.572 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 5.4 mp -86.01 -33.91 20.93 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.734 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.562 ' OH ' ' HD2' ' A' ' 8' ' ' ARG . 0.3 OUTLIER -121.84 132.39 24.25 Favored Pre-proline 0 CA--C 1.529 0.148 0 C-N-CA 120.418 -0.513 . . . . 0.0 112.001 -177.986 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -86.59 62.85 4.66 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.691 2.261 . . . . 0.0 110.174 177.589 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.856 ' HD2' ' HB3' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -84.23 -170.69 3.22 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -177.537 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -147.35 -27.68 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.488 0 CA-C-N 114.061 -1.427 . . . . 0.0 111.031 179.204 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -112.68 19.51 17.38 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.084 0.469 . . . . 0.0 110.24 179.28 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.856 ' HB3' ' HD2' ' A' ' 30' ' ' ARG . 7.2 t -105.03 172.05 6.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.958 -179.745 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.624 ' HB ' ' O ' ' A' ' 33' ' ' CYS . 15.1 t 163.67 -142.95 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.346 0 O-C-N 123.892 0.745 . . . . 0.0 110.291 179.323 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.669 ' HB2' ' OE1' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -96.8 125.47 41.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.995 0.426 . . . . 0.0 110.641 -179.899 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.42 111.64 10.92 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.193 -179.701 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.483 ' HA ' ' HB3' ' A' ' 43' ' ' HIS . 0.9 OUTLIER -109.28 164.8 12.14 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.638 179.803 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.4 m -111.57 -75.45 0.61 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.4 30.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.634 179.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 9.9 mtp -141.84 178.87 7.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.766 179.976 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -71.78 -18.21 62.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.64 142.06 38.18 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.367 0.603 . . . . 0.0 111.411 179.749 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.622 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.9 p-80 -151.25 -170.1 3.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.056 -0.974 . . . . 0.0 109.187 -179.806 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.551 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 87.7 p -153.7 -148.03 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.964 177.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.806 ' H ' HG22 ' A' ' 7' ' ' THR . 57.8 m -105.0 178.72 4.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.001 0.429 . . . . 0.0 111.568 -179.49 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -150.44 44.56 0.87 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.848 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.407 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 1.8 m -65.3 -21.8 66.76 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 121.46 0.648 . . . . 0.0 110.524 179.628 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.748 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.1 OUTLIER -135.2 152.68 51.8 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.891 -1.05 . . . . 0.0 110.625 -179.263 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.9 p -75.99 39.44 0.18 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.069 -0.969 . . . . 0.0 110.953 179.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.431 ' H ' ' C ' ' A' ' 48' ' ' LYS . 5.4 p . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.882 179.859 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 37.6 m-20 . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 120.738 0.304 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 62.08 -87.65 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.05 -179.904 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.411 ' HG3' ' H ' ' A' ' 3' ' ' MET . 0.0 OUTLIER -87.97 -179.2 6.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.998 -179.969 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.808 ' HD2' ' HB3' ' A' ' 28' ' ' TYR . 0.6 OUTLIER -142.84 148.69 37.49 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.409 179.883 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.651 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -102.94 86.73 2.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.996 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.727 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 16.5 p -50.87 141.93 12.53 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.84 179.776 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.777 ' H ' ' HB2' ' A' ' 45' ' ' CYS . 0.9 OUTLIER 61.0 149.9 0.02 OUTLIER 'General case' 0 C--O 1.231 0.087 0 CA-C-O 121.41 0.624 . . . . 0.0 112.192 179.665 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.784 ' HD2' HD12 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -99.88 32.51 2.88 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 178.466 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.6 18.69 8.8 Favored Glycine 0 N--CA 1.444 -0.806 0 CA-C-N 114.73 -1.123 . . . . 0.0 110.554 -178.093 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.441 ' HA ' ' CB ' ' A' ' 44' ' ' SER . 0.4 OUTLIER 63.85 86.8 0.12 Allowed 'General case' 0 C--O 1.231 0.114 0 CA-C-N 115.383 -0.408 . . . . 0.0 110.458 -179.403 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.43 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -152.9 47.89 0.71 Allowed 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -179.527 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.67 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 1.8 mptt -110.31 154.49 23.41 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 177.758 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.401 ' H ' ' CD ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -149.97 154.99 39.16 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 -177.945 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.505 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 104.78 45.32 1.41 Allowed Glycine 0 C--N 1.336 0.556 0 CA-C-N 115.12 -0.945 . . . . 0.0 113.27 179.28 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.469 ' N ' ' HE1' ' A' ' 43' ' ' HIS . 0.0 OUTLIER 30.17 81.01 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 120.922 0.392 . . . . 0.0 111.173 -179.738 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.453 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 52.99 56.13 7.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.272 -178.623 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.568 ' HB ' ' HG2' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -78.83 153.77 30.37 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.756 -179.69 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.466 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -52.15 -54.79 26.31 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.758 179.631 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -51.1 -24.99 4.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.285 -179.718 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.568 ' HG2' ' HB ' ' A' ' 17' ' ' THR . 5.9 mm-40 -80.29 -47.9 13.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.691 179.996 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.53 ' HG3' ' N ' ' A' ' 22' ' ' GLU . 2.8 pt-20 -63.42 -35.08 79.23 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.793 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.53 ' N ' ' HG3' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -66.33 -41.46 89.57 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.131 178.503 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.646 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -51.75 -65.64 0.52 Allowed 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.393 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.55 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 13.4 m -49.55 -28.76 5.94 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.608 -0.723 . . . . 0.0 112.272 179.688 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.46 -73.52 0.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -179.619 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.5 p -59.06 -21.45 59.16 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -179.131 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.784 HD12 ' HD2' ' A' ' 8' ' ' ARG . 4.5 mm? -85.34 -43.32 13.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.777 0.322 . . . . 0.0 111.19 -179.839 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.808 ' HB3' ' HD2' ' A' ' 4' ' ' LYS . 1.5 m-85 -131.53 111.86 15.15 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.307 -178.246 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -80.92 59.93 7.67 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.52 2.147 . . . . 0.0 111.636 179.384 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.488 ' HB2' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -101.8 166.19 10.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.99 -178.945 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -95.85 -13.29 50.64 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 178.261 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -119.75 16.86 12.74 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.031 0.443 . . . . 0.0 110.277 179.404 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 33.7 t -99.69 131.76 45.48 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.335 179.724 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.515 HG23 ' N ' ' A' ' 35' ' ' CYS . 6.6 t -172.84 -150.89 0.05 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.977 -179.177 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.515 ' N ' HG23 ' A' ' 34' ' ' THR . 0.6 OUTLIER -97.19 125.59 41.81 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.074 0.464 . . . . 0.0 111.158 -179.449 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.431 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 14.3 t -126.81 130.76 50.88 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.744 179.83 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -147.27 165.1 31.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.685 -179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.7 t -109.19 -70.46 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.646 179.83 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -169.63 49.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.544 179.848 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 20.3 mtt -141.0 -176.44 4.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -82.18 -25.18 34.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.042 -179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.34 143.18 34.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.504 0.669 . . . . 0.0 111.97 -179.769 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.67 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 2.8 p-80 -150.97 -174.22 4.73 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.849 -1.069 . . . . 0.0 108.673 -179.944 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.565 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 78.8 p -154.16 -137.39 0.07 Allowed 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.216 177.516 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.777 ' HB2' ' H ' ' A' ' 7' ' ' THR . 59.6 m -110.42 173.5 6.3 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.139 0.495 . . . . 0.0 112.031 -178.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -150.59 37.24 0.66 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.584 179.927 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -57.33 -23.35 48.25 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.724 179.829 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.727 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -142.34 164.38 30.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.249 -179.451 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.9 p -78.65 48.14 0.78 Allowed 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 114.53 -1.214 . . . . 0.0 110.996 -179.783 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.846 179.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.1 m120 . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.83 0.348 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.4 tp -152.95 118.48 5.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.935 -179.905 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -106.84 -63.56 1.27 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.903 -179.982 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.758 ' HG2' ' HD2' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -120.32 -163.94 1.05 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.876 -179.965 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.465 ' HB3' ' HE ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -153.61 93.73 1.71 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.116 179.986 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.534 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 1.3 p -51.77 124.61 12.88 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.936 179.767 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.92 ' HB ' ' H ' ' A' ' 45' ' ' CYS . 10.4 t 45.96 164.97 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 179.795 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 22.3 mtp85 -99.6 47.34 0.95 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.382 179.356 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.32 38.55 7.16 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 -178.438 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.555 ' HA ' ' CB ' ' A' ' 44' ' ' SER . 11.5 t80 65.35 94.72 0.06 Allowed 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.3 -0.45 . . . . 0.0 109.914 -179.145 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.516 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -148.24 51.75 1.02 Allowed 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -178.23 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.819 ' HD3' ' HA ' ' A' ' 44' ' ' SER . 0.0 OUTLIER -134.75 151.79 51.25 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 178.875 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.487 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.3 OUTLIER -151.01 154.6 37.37 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -178.449 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.499 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 100.27 53.29 1.09 Allowed Glycine 0 C--N 1.34 0.79 0 CA-C-N 115.85 -0.613 . . . . 0.0 113.626 179.168 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.502 ' N ' ' HE1' ' A' ' 43' ' ' HIS . 0.0 OUTLIER 25.66 81.94 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.024 0.44 . . . . 0.0 111.775 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.42 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.6 OUTLIER 52.98 52.74 13.26 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.436 0.636 . . . . 0.0 109.943 -178.771 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.487 ' HB ' ' O ' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -73.46 158.6 34.65 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.065 -0.97 . . . . 0.0 111.05 -179.549 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.537 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.3 m -53.71 -53.6 49.78 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.217 179.266 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.451 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -50.64 -23.24 2.47 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.099 179.925 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.686 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -79.35 -52.43 8.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.198 179.461 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 18' ' ' THR . 13.4 pt-20 -63.18 -24.06 67.71 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.64 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.13 -44.54 21.81 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.776 179.001 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.644 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -46.15 -43.6 15.17 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-O 121.551 0.691 . . . . 0.0 109.262 178.328 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.558 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 66.4 m -71.53 -45.04 63.47 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 114.669 -1.15 . . . . 0.0 112.878 -179.464 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.507 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 1.0 OUTLIER -70.1 -60.24 2.41 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -178.323 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 16.8 p -61.59 -46.05 91.52 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -178.702 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.644 ' HB2' ' O ' ' A' ' 23' ' ' LYS . 6.2 mp -86.07 -37.27 19.03 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 113.065 0.765 . . . . 0.0 113.065 -178.238 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.558 ' CD2' ' HA ' ' A' ' 24' ' ' CYS . 0.2 OUTLIER -115.74 78.78 7.2 Favored Pre-proline 0 CA--C 1.531 0.233 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.897 -177.733 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -58.29 90.58 0.06 OUTLIER 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.101 1.867 . . . . 0.0 111.727 179.273 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.758 ' HD2' ' HG2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -137.93 -174.54 3.81 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 121.492 0.663 . . . . 0.0 112.336 -178.912 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -115.79 -34.49 1.39 Allowed Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 114.881 -1.054 . . . . 0.0 111.189 178.818 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -100.02 14.81 29.34 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 121.365 0.602 . . . . 0.0 109.871 178.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.603 ' HA ' ' HA ' ' A' ' 47' ' ' CYS . 32.2 t -99.65 128.45 45.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.105 -0.952 . . . . 0.0 109.718 179.765 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.451 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 6.4 t -166.12 -154.73 0.2 Allowed 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.673 -0.411 . . . . 0.0 111.805 -178.942 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.547 ' HB2' ' HG3' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -96.21 135.35 38.14 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.344 0.592 . . . . 0.0 112.11 -178.287 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.2 t -146.42 123.81 11.65 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.539 179.78 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -106.24 154.5 20.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.163 -179.515 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 8.4 t -150.08 -37.41 0.15 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.606 179.845 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.508 ' HB3' ' H ' ' A' ' 40' ' ' MET . 5.3 mmtp -82.81 -133.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.722 179.984 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.508 ' H ' ' HB3' ' A' ' 39' ' ' LYS . 0.2 OUTLIER -99.73 -104.79 0.22 Allowed 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 120.651 0.263 . . . . 0.0 110.653 -179.971 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -82.4 -15.6 52.11 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.906 0.384 . . . . 0.0 110.421 179.557 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.49 ' HB ' ' CZ ' ' A' ' 10' ' ' PHE . 0.8 OUTLIER -99.86 141.53 32.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.292 0.568 . . . . 0.0 111.092 179.626 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.579 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.7 p-80 -149.57 -176.33 5.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.192 -179.631 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.819 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 30.0 p -153.3 -158.98 0.93 Allowed 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.182 -0.607 . . . . 0.0 111.286 178.458 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.92 ' H ' ' HB ' ' A' ' 7' ' ' THR . 0.9 OUTLIER -99.66 167.31 10.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.146 0.498 . . . . 0.0 112.083 -178.638 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -150.43 41.47 0.8 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.961 179.697 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.603 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -54.56 -25.63 27.22 Favored 'General case' 0 CA--C 1.518 -0.279 0 CA-C-O 121.395 0.617 . . . . 0.0 109.965 179.353 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.534 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.9 OUTLIER -128.55 133.32 48.36 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.363 179.894 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -49.43 91.84 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.071 -179.964 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 20.0 p . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.853 -179.734 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.68 0.276 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 mt 58.85 95.73 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.129 179.905 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.2 mmm -129.01 -34.11 1.94 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.809 179.881 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.948 ' HG3' ' HB3' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -115.84 -30.27 6.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.863 179.727 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.49 ' N ' ' HG2' ' A' ' 4' ' ' LYS . 38.0 ttm105 64.26 74.0 0.42 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.826 179.565 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.681 ' HA ' ' HB2' ' A' ' 47' ' ' CYS . 2.2 p -46.84 146.16 1.72 Allowed 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.581 179.139 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.782 HG22 ' H ' ' A' ' 45' ' ' CYS . 1.0 OUTLIER 61.43 141.34 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 121.213 0.53 . . . . 0.0 111.816 179.935 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 1.033 ' HD3' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.37 45.78 0.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 179.042 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.11 11.75 15.36 Favored Glycine 0 N--CA 1.445 -0.715 0 CA-C-N 115.147 -0.933 . . . . 0.0 111.187 -178.824 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.3 t80 57.76 79.91 0.19 Allowed 'General case' 0 C--O 1.232 0.151 0 N-CA-C 110.503 -0.184 . . . . 0.0 110.503 -179.885 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.82 55.4 0.84 Allowed 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -179.339 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.809 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 5.2 mptt -105.4 155.43 19.13 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.179 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.405 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.2 OUTLIER -145.38 148.64 33.58 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.32 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.494 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 102.8 44.8 1.73 Allowed Glycine 0 C--N 1.338 0.64 0 CA-C-N 115.515 -0.766 . . . . 0.0 113.481 179.123 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.529 ' N ' ' CE1' ' A' ' 43' ' ' HIS . 0.6 OUTLIER 30.64 87.14 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 122.777 0.431 . . . . 0.0 111.589 -179.629 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.403 ' H ' ' CD2' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 49.56 48.74 21.02 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-O 121.582 0.706 . . . . 0.0 109.573 -178.564 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.537 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.6 OUTLIER -70.1 160.01 32.82 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.661 -1.154 . . . . 0.0 111.519 -179.092 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.577 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -55.73 -53.53 55.47 Favored 'General case' 0 N--CA 1.453 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.358 179.23 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -52.36 -25.88 10.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 -179.918 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.809 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -79.71 -46.97 16.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.526 179.68 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.678 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 7.5 pt-20 -64.58 -30.71 71.74 Favored 'General case' 0 N--CA 1.453 -0.309 0 N-CA-C 108.288 -1.005 . . . . 0.0 108.288 178.606 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.6 -45.08 69.41 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 114.894 -1.048 . . . . 0.0 109.421 178.58 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.709 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -50.32 -36.68 32.95 Favored 'General case' 0 C--O 1.219 -0.508 0 N-CA-C 108.386 -0.968 . . . . 0.0 108.386 178.14 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.543 ' SG ' ' O ' ' A' ' 34' ' ' THR . 90.0 m -68.97 -37.86 79.04 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.123 -0.944 . . . . 0.0 112.305 -179.967 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.678 ' HG2' ' O ' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -81.63 -64.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.76 0.281 . . . . 0.0 111.76 -179.107 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.1 p -51.86 -36.55 48.81 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -179.331 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.033 HD12 ' HD3' ' A' ' 8' ' ' ARG . 0.7 OUTLIER -82.83 -40.7 20.0 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.657 0.265 . . . . 0.0 111.526 -179.284 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.7 ' OH ' ' HD2' ' A' ' 8' ' ' ARG . 1.3 m-85 -129.51 134.24 26.01 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.785 -177.039 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -91.09 24.26 0.58 Allowed 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 122.921 2.414 . . . . 0.0 111.76 179.036 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.618 ' CB ' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -66.16 157.93 30.02 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -178.766 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -99.28 -19.42 21.07 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 109.396 -1.482 . . . . 0.0 109.396 177.05 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -102.85 19.08 20.01 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 114.634 -0.783 . . . . 0.0 109.507 178.77 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.618 ' HB2' ' CB ' ' A' ' 30' ' ' ARG . 0.5 OUTLIER -98.65 143.54 28.92 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.714 179.888 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.543 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 1.3 t -177.83 -169.13 0.2 Allowed 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.923 -0.311 . . . . 0.0 111.191 -179.115 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.444 ' N ' HG23 ' A' ' 34' ' ' THR . 1.4 p -96.04 133.17 40.59 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.119 0.485 . . . . 0.0 111.715 -178.682 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.558 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -139.46 127.38 22.18 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.333 -179.517 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.484 ' OD2' ' HE2' ' A' ' 15' ' ' LYS . 22.3 t70 -128.88 139.73 52.01 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.435 179.537 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.9 t -150.15 15.27 0.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.233 -179.762 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.419 ' HB3' ' H ' ' A' ' 40' ' ' MET . 0.0 OUTLIER -115.18 -100.87 0.43 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.372 -179.674 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.419 ' H ' ' HB3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -132.28 -86.22 0.47 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.917 0.389 . . . . 0.0 110.14 -179.871 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -110.42 -20.94 12.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.771 178.938 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -99.84 138.62 36.67 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.431 0.634 . . . . 0.0 111.072 179.634 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.603 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 5.3 p-80 -150.98 -166.62 2.59 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.95 -1.023 . . . . 0.0 108.981 -179.218 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.566 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 88.6 p -154.18 -151.49 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.422 -0.511 . . . . 0.0 111.01 177.213 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.782 ' H ' HG22 ' A' ' 7' ' ' THR . 3.8 t -99.19 174.57 6.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.366 0.603 . . . . 0.0 112.176 -179.046 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.447 ' HB2' ' HB2' ' A' ' 36' ' ' SER . 12.4 t70 -142.54 37.95 1.51 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.692 179.316 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.948 ' HB3' ' HG3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -49.59 -27.33 4.38 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.163 179.385 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.642 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -126.1 -177.0 3.8 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.706 -179.6 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.629 ' H ' ' HE3' ' A' ' 48' ' ' LYS . 0.5 OUTLIER -80.42 49.29 1.13 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.834 -179.962 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.852 -179.955 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 6.5 m120 . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.891 0.376 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.52 10.22 41.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.735 179.915 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.85 -171.64 3.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.005 -179.877 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.655 ' HD3' ' N ' ' A' ' 5' ' ' ARG . 0.4 OUTLIER -153.7 147.79 25.67 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.445 179.99 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.655 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -105.37 104.87 14.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.038 0.446 . . . . 0.0 111.221 -179.64 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.623 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 7.2 p -50.48 145.43 6.5 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.919 -179.928 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.467 HG23 ' SG ' ' A' ' 6' ' ' CYS . 1.1 p 59.36 143.02 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 178.829 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.98 ' HD3' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.75 31.12 3.35 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 177.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 123.63 12.34 4.62 Favored Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 114.464 -1.244 . . . . 0.0 110.912 -178.529 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.2 t80 59.71 84.6 0.11 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.554 -0.323 . . . . 0.0 110.672 -179.737 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.02 60.34 0.47 Allowed 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 -179.567 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.7 ' HE2' ' H ' ' A' ' 45' ' ' CYS . 0.4 OUTLIER -113.21 154.83 26.09 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 178.206 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.46 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -150.45 153.61 36.23 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -178.312 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.446 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 104.02 44.46 1.62 Allowed Glycine 0 C--N 1.338 0.65 0 CA-C-N 115.419 -0.81 . . . . 0.0 113.624 178.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.489 ' N ' ' HE1' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 30.59 84.49 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 122.502 0.321 . . . . 0.0 111.443 179.923 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.6 t 53.51 49.07 20.34 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-O 121.374 0.607 . . . . 0.0 109.727 -178.698 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.494 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.7 OUTLIER -71.79 155.69 40.15 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.366 -179.217 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.584 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -53.39 -52.93 57.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.403 179.458 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -51.4 -29.2 14.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.737 -179.898 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.65 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -73.18 -49.78 26.19 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.432 179.772 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.616 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 4.9 pt-20 -65.7 -29.06 69.54 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 178.815 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.01 -36.88 72.61 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.066 178.518 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.657 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -55.21 -64.51 0.82 Allowed 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 178.454 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.683 ' SG ' ' HB3' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -49.83 -33.84 18.0 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.602 -0.439 . . . . 0.0 111.421 179.788 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.492 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -75.07 -83.63 0.06 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -178.878 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.5 p -47.29 -28.92 2.16 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -178.782 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.98 HD12 ' HD3' ' A' ' 8' ' ' ARG . 2.0 mm? -81.01 -38.1 28.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 0.0 111.058 -179.837 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.67 ' OH ' ' HD2' ' A' ' 8' ' ' ARG . 1.3 m-85 -135.2 117.1 12.37 Favored Pre-proline 0 N--CA 1.454 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.221 -177.791 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.523 ' O ' ' HD2' ' A' ' 30' ' ' ARG . 4.3 Cg_exo -78.18 85.48 1.81 Allowed 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 122.679 2.253 . . . . 0.0 111.842 179.533 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.552 ' HG3' ' SG ' ' A' ' 33' ' ' CYS . 18.4 mmm180 -132.3 -165.86 1.65 Allowed 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.415 0.626 . . . . 0.0 112.001 -179.387 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -128.47 -26.92 0.93 Allowed Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 114.935 -1.03 . . . . 0.0 111.374 179.021 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -99.98 9.91 42.15 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.353 0.597 . . . . 0.0 110.241 179.231 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.683 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 84.4 m -101.9 136.85 41.03 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.099 179.678 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.511 HG23 ' N ' ' A' ' 35' ' ' CYS . 12.8 t -175.34 -132.68 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 120.585 -0.446 . . . . 0.0 111.749 -179.54 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.511 ' N ' HG23 ' A' ' 34' ' ' THR . 0.0 OUTLIER -98.99 140.56 32.96 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-O 121.056 0.455 . . . . 0.0 111.719 -179.147 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.468 ' CB ' ' HB2' ' A' ' 46' ' ' ASP . 6.3 t -141.6 105.36 4.72 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.428 179.401 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -110.6 154.2 24.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.85 -179.73 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.23 -75.97 0.58 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.927 179.933 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.0 tptm -169.31 30.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.597 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -141.75 176.53 8.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.955 -179.815 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -65.53 -31.32 72.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.169 -179.906 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.76 142.33 31.38 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.492 0.663 . . . . 0.0 111.388 179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.599 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 5.1 p-80 -150.68 -168.07 3.0 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.985 -1.007 . . . . 0.0 108.906 -179.835 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.61 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 45.4 p -152.68 -174.28 4.86 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.818 177.731 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.7 ' H ' ' HE2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -99.84 127.73 45.99 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.437 -179.174 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.612 ' HA ' ' HB2' ' A' ' 6' ' ' CYS . 6.6 t70 -99.49 61.33 1.18 Allowed 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.262 0.554 . . . . 0.0 110.379 179.5 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.459 ' HA ' ' CB ' ' A' ' 33' ' ' CYS . 2.0 t -49.93 -31.41 12.31 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.235 179.236 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.623 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -145.48 134.55 22.69 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 114.323 -1.308 . . . . 0.0 110.445 -179.735 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -43.29 94.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.345 -179.889 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.919 -179.805 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.643 0.258 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.4 mt 61.11 -84.06 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.104 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.524 ' HA ' ' HE3' ' A' ' 4' ' ' LYS . 1.7 ptt? -62.22 155.61 24.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.897 179.966 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.606 ' HD3' ' HA3' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -94.87 -89.68 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.836 179.905 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.436 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 1.8 ptm180 179.99 47.48 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 111.38 0.141 . . . . 0.0 111.38 -179.94 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.726 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 30.4 p -41.01 112.73 0.32 Allowed 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -179.951 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.681 ' HA ' ' HH ' ' A' ' 28' ' ' TYR . 1.6 p 57.14 135.13 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.286 0.565 . . . . 0.0 112.324 179.472 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.758 ' HD2' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.89 29.81 4.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.615 0.722 . . . . 0.0 109.157 178.889 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 135.45 7.51 1.9 Allowed Glycine 0 N--CA 1.446 -0.684 0 CA-C-N 114.613 -1.176 . . . . 0.0 111.136 -179.136 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.4 t80 57.47 86.04 0.08 Allowed 'General case' 0 C--O 1.231 0.112 0 CA-C-N 115.785 -0.208 . . . . 0.0 110.584 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.482 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -157.56 57.76 0.5 Allowed 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -179.632 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.667 ' HB3' ' HB2' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -110.16 159.01 17.74 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 177.55 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.409 ' O ' ' HB ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -150.6 158.47 44.19 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 113.548 0.944 . . . . 0.0 113.548 -178.303 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.486 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 101.82 49.91 1.22 Allowed Glycine 0 C--N 1.34 0.769 0 CA-C-N 115.189 -0.914 . . . . 0.0 113.622 179.043 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 14' ' ' GLY . 10.9 mttt 23.29 83.8 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 122.828 0.451 . . . . 0.0 111.539 -179.914 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 23.1 t 54.85 55.19 8.09 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-O 121.306 0.574 . . . . 0.0 109.89 -178.408 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.536 HG22 ' H ' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -77.13 151.54 35.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.028 -179.351 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.575 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 1.2 m -55.19 -52.91 61.84 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.088 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.475 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -53.02 -22.39 5.71 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.832 179.795 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.667 ' HB2' ' HB3' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -79.85 -49.45 11.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.254 179.51 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.658 ' N ' ' HG3' ' A' ' 20' ' ' GLU . 5.4 pt-20 -63.7 -27.99 69.59 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 178.526 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.06 -34.17 43.96 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 114.684 -1.144 . . . . 0.0 110.356 179.313 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.739 ' HD2' ' HE ' ' A' ' 8' ' ' ARG . 2.4 ttpt -60.46 -35.39 75.76 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 179.238 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.566 ' HB3' ' SG ' ' A' ' 33' ' ' CYS . 2.6 m -78.24 -37.68 44.68 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.103 -179.587 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.545 ' HE3' ' O ' ' A' ' 33' ' ' CYS . 0.6 OUTLIER -77.03 -31.87 56.62 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.104 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.464 ' OG1' HD23 ' A' ' 27' ' ' LEU . 68.4 p -85.46 -37.6 19.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.674 -179.6 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.758 HD12 ' HD2' ' A' ' 8' ' ' ARG . 0.1 OUTLIER -85.19 -43.51 13.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.152 0.501 . . . . 0.0 110.41 -179.899 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.681 ' HH ' ' HA ' ' A' ' 7' ' ' THR . 0.2 OUTLIER -110.1 161.57 23.88 Favored Pre-proline 0 C--N 1.333 -0.143 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.561 -177.915 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.434 ' HD2' ' HB3' ' A' ' 4' ' ' LYS . 52.7 Cg_endo -74.81 -67.35 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 122.104 1.869 . . . . 0.0 113.235 -179.754 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.556 ' O ' ' HB2' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -178.73 -135.96 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.935 0.398 . . . . 0.0 111.47 -178.548 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.606 ' HA3' ' HD3' ' A' ' 4' ' ' LYS . . . 69.6 76.79 0.47 Allowed Glycine 0 C--N 1.336 0.579 0 N-CA-C 111.612 -0.595 . . . . 0.0 111.612 179.973 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 58.4 24.7 12.02 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -178.597 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.566 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 7.6 t -98.98 125.45 44.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.155 -0.929 . . . . 0.0 110.591 -179.411 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.469 HG23 ' N ' ' A' ' 35' ' ' CYS . 9.9 t 177.35 -131.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.17 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.478 ' HA ' ' OE2' ' A' ' 20' ' ' GLU . 0.0 OUTLIER -98.05 129.25 44.9 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.955 -0.465 . . . . 0.0 110.77 179.959 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.501 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 0.1 OUTLIER -144.71 120.0 10.22 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.024 -179.717 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.514 ' OD1' ' HB3' ' A' ' 43' ' ' HIS . 24.9 t0 -135.05 155.51 50.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.629 179.919 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.6 t -99.92 -68.78 0.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.798 179.763 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.6 46.87 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.671 179.838 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 1.4 mtp -149.96 161.8 41.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.923 -179.825 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -59.52 -30.73 68.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.48 139.45 35.12 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.312 0.577 . . . . 0.0 111.399 179.863 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.647 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 7.1 p-80 -151.04 -173.04 4.37 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.466 -179.732 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.534 ' HA ' ' HB2' ' A' ' 12' ' ' LYS . 91.6 p -154.09 -148.79 0.26 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.292 -0.262 . . . . 0.0 110.292 177.524 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.581 ' H ' HG22 ' A' ' 7' ' ' THR . 2.4 m -108.46 174.44 5.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.745 0.307 . . . . 0.0 111.411 -179.873 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -142.59 39.3 1.53 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.287 -179.8 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.67 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -57.9 -22.05 46.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.6 0.714 . . . . 0.0 110.508 179.223 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.726 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -146.44 142.53 28.23 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.661 -179.288 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.45 87.23 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.296 -0.866 . . . . 0.0 110.848 -179.91 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 27.5 p . . . . . 0 C--O 1.25 1.079 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.806 -179.756 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.76 0.314 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 mp -131.36 115.56 16.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.945 -179.901 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.634 ' HB3' ' HE3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -131.01 131.33 44.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.767 179.932 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.68 ' HD3' ' HA3' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -111.56 -87.71 0.53 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.915 179.922 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.499 ' HD3' ' HD3' ' A' ' 29' ' ' PRO . 6.1 ptm180 -179.74 44.82 0.0 OUTLIER 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.544 0.211 . . . . 0.0 111.191 -179.801 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.692 ' HA ' ' SG ' ' A' ' 47' ' ' CYS . 0.0 OUTLIER -44.0 135.31 4.26 Favored 'General case' 0 N--CA 1.463 0.185 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.71 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.559 HG23 ' SG ' ' A' ' 6' ' ' CYS . 12.0 p 56.31 130.04 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 113.166 0.802 . . . . 0.0 113.166 178.944 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.754 ' HD3' HD12 ' A' ' 27' ' ' LEU . 11.1 ttt-85 -101.15 31.26 3.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.293 -0.867 . . . . 0.0 108.67 178.258 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.2 5.99 4.98 Favored Glycine 0 N--CA 1.444 -0.778 0 CA-C-N 114.439 -1.255 . . . . 0.0 110.428 -178.29 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.499 ' CZ ' HG21 ' A' ' 7' ' ' THR . 2.7 m-85 61.52 76.19 0.38 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.298 -0.451 . . . . 0.0 110.86 -179.992 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.585 ' C ' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -156.39 76.71 0.91 Allowed 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 -179.636 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.809 ' HG3' ' HE2' ' A' ' 23' ' ' LYS . 9.1 mptt -124.79 146.99 48.95 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 177.648 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.433 ' H ' ' CD ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -145.3 156.08 43.59 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -177.744 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.468 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 105.9 37.21 2.59 Favored Glycine 0 C--N 1.337 0.625 0 CA-C-N 115.295 -0.866 . . . . 0.0 113.137 179.468 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.517 ' N ' ' CE1' ' A' ' 43' ' ' HIS . 0.1 OUTLIER 35.84 85.6 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.85 0.357 . . . . 0.0 111.243 -179.421 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.415 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 0.5 OUTLIER 50.53 51.97 15.78 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.438 0.637 . . . . 0.0 109.927 -178.61 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.577 ' HB ' ' HG2' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -77.12 154.98 32.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.098 -0.956 . . . . 0.0 111.014 -179.543 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.593 ' HA ' ' HG2' ' A' ' 21' ' ' GLU . 2.9 m -53.23 -56.61 15.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.824 179.538 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -49.73 -26.09 3.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.048 -179.83 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.636 ' HB3' ' HB3' ' A' ' 12' ' ' LYS . 5.0 mm-40 -81.86 -49.26 10.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.455 179.815 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.593 ' HG2' ' HA ' ' A' ' 18' ' ' THR . 5.4 pt-20 -60.42 -24.98 65.6 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.08 -1.082 . . . . 0.0 108.08 178.128 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.16 -53.88 9.88 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 114.613 -1.176 . . . . 0.0 109.048 178.291 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.809 ' HE2' ' HG3' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -42.61 -37.89 1.83 Allowed 'General case' 0 C--O 1.224 -0.27 0 CA-C-O 121.204 0.526 . . . . 0.0 110.177 178.573 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.594 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 2.8 m -72.34 -43.88 63.44 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -179.455 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.437 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.8 OUTLIER -80.4 -50.85 9.55 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -178.485 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 p -69.25 -39.04 78.7 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.399 0.518 . . . . 0.0 112.399 -178.944 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.754 HD12 ' HD3' ' A' ' 8' ' ' ARG . 0.1 OUTLIER -85.59 -42.65 14.17 Favored 'General case' 0 C--O 1.231 0.1 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.746 -179.268 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.594 ' CD2' ' HA ' ' A' ' 24' ' ' CYS . 0.2 OUTLIER -110.53 158.55 35.14 Favored Pre-proline 0 N--CA 1.461 0.113 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.418 -178.002 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.63 ' HG2' ' HB3' ' A' ' 4' ' ' LYS . 44.2 Cg_endo -71.15 -70.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.099 1.866 . . . . 0.0 112.791 179.809 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.483 ' HA ' ' HB3' ' A' ' 33' ' ' CYS . 0.5 OUTLIER -179.29 -136.86 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.866 0.365 . . . . 0.0 111.377 -178.965 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.68 ' HA3' ' HD3' ' A' ' 4' ' ' LYS . . . 72.24 79.34 0.45 Allowed Glycine 0 C--N 1.337 0.594 0 N-CA-C 111.516 -0.634 . . . . 0.0 111.516 -179.914 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 57.53 24.18 10.04 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 -178.572 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.503 ' SG ' ' HB3' ' A' ' 24' ' ' CYS . 8.7 t -98.71 126.29 44.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.825 -179.286 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.41 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 14.6 t -179.27 -150.5 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.113 -179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.403 ' N ' HG23 ' A' ' 34' ' ' THR . 0.7 OUTLIER -97.81 123.01 41.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.137 0.494 . . . . 0.0 110.907 -179.656 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.564 ' O ' ' HB2' ' A' ' 43' ' ' HIS . 22.8 t -142.95 130.68 21.44 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.372 -179.237 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -127.14 144.29 51.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.318 179.64 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.03 3.92 0.54 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.493 -0.322 . . . . 0.0 111.253 -179.664 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.52 -82.3 0.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.346 -179.704 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.0 -148.67 0.26 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.438 -179.619 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 20.8 t30 -51.73 -19.96 1.88 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.163 179.839 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.8 140.2 34.35 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.4 0.619 . . . . 0.0 111.5 179.895 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.692 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 6.7 p-80 -151.12 -173.59 4.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.801 -179.642 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.613 ' HA ' ' HD3' ' A' ' 12' ' ' LYS . 88.0 p -154.88 -153.96 0.48 Allowed 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 121.07 -0.252 . . . . 0.0 110.622 177.852 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.456 ' SG ' ' HE2' ' A' ' 12' ' ' LYS . 3.0 m -116.13 146.21 42.44 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.52 179.438 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -115.63 48.11 1.25 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.844 0.354 . . . . 0.0 111.487 -179.393 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.692 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -63.07 -22.82 67.12 Favored 'General case' 0 CA--C 1.513 -0.459 0 CA-C-O 121.743 0.782 . . . . 0.0 110.274 179.148 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.634 ' HE3' ' HB3' ' A' ' 3' ' ' MET . 3.0 tmtt? -150.6 151.91 33.28 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.03 -179.093 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.5 t -68.06 76.77 0.23 Allowed 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.661 179.59 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.138 -0.934 . . . . 0.0 110.964 -179.803 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 2.5 t30 . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.754 0.312 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.418 HD23 ' H ' ' A' ' 3' ' ' MET . 0.0 OUTLIER -132.29 -155.55 0.69 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.958 -179.877 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.566 ' O ' ' HG2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER 58.91 86.85 0.08 Allowed 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.995 -179.994 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.744 ' HA ' ' HG2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -116.58 82.7 1.83 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.346 179.842 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -65.06 107.67 1.6 Allowed 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 -178.739 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.79 ' HB3' ' H ' ' A' ' 48' ' ' LYS . 7.5 p -62.8 134.93 57.0 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.966 179.325 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.5 p 57.33 139.88 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 113.378 0.881 . . . . 0.0 113.378 178.368 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.778 ' HD2' ' HB3' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -104.88 25.12 10.85 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 177.844 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 141.58 -1.17 1.79 Allowed Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 114.203 -1.362 . . . . 0.0 110.694 -178.495 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.413 ' HA ' ' HZ2' ' A' ' 12' ' ' LYS . 2.0 t80 57.52 84.43 0.1 Allowed 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.475 -0.362 . . . . 0.0 111.054 179.947 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.848 ' HD3' ' HE2' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -166.55 57.5 0.09 Allowed 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 179.875 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.691 ' HB2' ' O ' ' A' ' 43' ' ' HIS . 3.8 mptt -99.77 155.52 17.59 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 177.672 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.405 ' H ' ' CD ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -150.31 156.63 41.89 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -177.839 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.475 ' N ' ' HE1' ' A' ' 43' ' ' HIS . . . 110.89 37.09 1.75 Allowed Glycine 0 C--N 1.337 0.636 0 CA-C-N 115.51 -0.768 . . . . 0.0 113.176 179.25 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.476 ' N ' ' HE1' ' A' ' 43' ' ' HIS . 0.0 OUTLIER 32.35 82.04 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.803 0.335 . . . . 0.0 111.155 -179.564 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.405 ' H ' ' CE1' ' A' ' 43' ' ' HIS . 1.9 t 56.31 53.43 8.82 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.26 0.552 . . . . 0.0 110.13 -178.712 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.581 ' HB ' ' HG2' ' A' ' 20' ' ' GLU . 0.9 OUTLIER -83.22 151.49 25.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.672 -179.761 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.628 ' O ' ' HG2' ' A' ' 21' ' ' GLU . 2.7 m -51.69 -57.67 8.55 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.758 179.648 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -47.32 -26.33 1.23 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.406 -179.789 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.581 ' HG2' ' HB ' ' A' ' 17' ' ' THR . 4.1 mm-40 -81.32 -51.99 7.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.658 179.82 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.628 ' HG2' ' O ' ' A' ' 18' ' ' THR . 9.8 pt-20 -57.86 -27.07 62.91 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 178.03 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.61 -54.3 10.87 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 114.426 -1.261 . . . . 0.0 109.295 178.5 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.848 ' HE2' ' HD3' ' A' ' 11' ' ' ARG . 26.7 tttp -42.68 -34.5 0.91 Allowed 'General case' 0 CA--C 1.522 -0.101 0 CA-C-O 121.607 0.717 . . . . 0.0 109.595 178.444 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.635 ' HA ' ' CD2' ' A' ' 28' ' ' TYR . 3.9 m -67.95 -54.29 19.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.03 -0.986 . . . . 0.0 111.961 179.77 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.464 ' HE2' ' HA ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -75.83 -56.11 4.98 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.907 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 21.8 p -56.76 -48.6 77.49 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -179.064 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.778 ' HB3' ' HD2' ' A' ' 8' ' ' ARG . 0.7 OUTLIER -85.9 -40.89 15.45 Favored 'General case' 0 C--O 1.231 0.104 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -178.677 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.635 ' CD2' ' HA ' ' A' ' 24' ' ' CYS . 0.3 OUTLIER -109.83 156.24 40.18 Favored Pre-proline 0 C--N 1.333 -0.134 0 CA-C-O 120.925 0.393 . . . . 0.0 111.73 -176.855 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.744 ' HG2' ' HA ' ' A' ' 4' ' ' LYS . 17.3 Cg_exo -67.78 -74.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.762 2.308 . . . . 0.0 112.755 179.877 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.6 ' H ' ' HB3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -178.17 -135.15 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 121.06 0.457 . . . . 0.0 112.221 -178.763 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.72 69.11 1.46 Allowed Glycine 0 C--N 1.334 0.455 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 -179.348 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 62.82 29.19 16.65 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 -177.934 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.555 ' HB3' ' HA ' ' A' ' 30' ' ' ARG . 18.6 t -97.71 117.41 31.95 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.25 -179.433 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.489 ' O ' ' SG ' ' A' ' 24' ' ' CYS . 13.5 t -177.43 -140.46 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.714 -179.667 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.462 ' N ' HG23 ' A' ' 34' ' ' THR . 0.0 OUTLIER -96.25 122.92 39.63 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 121.695 -0.628 . . . . 0.0 111.257 -179.584 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.4 t -137.67 119.16 14.84 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.139 179.822 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.444 ' CG ' ' HB3' ' A' ' 43' ' ' HIS . 7.5 t0 -129.85 138.77 51.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.973 -179.587 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -150.43 0.79 0.44 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.804 179.878 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.8 mmtm -108.87 -85.05 0.54 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.221 -179.77 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 8.0 ttm -143.84 -145.77 0.18 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.697 -179.757 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -58.11 -15.13 8.41 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.428 -179.827 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.52 141.57 32.14 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.311 0.577 . . . . 0.0 111.266 179.73 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.691 ' O ' ' HB2' ' A' ' 12' ' ' LYS . 3.3 p-80 -150.8 -176.53 5.56 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.378 -179.712 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.454 ' HB2' ' NZ ' ' A' ' 12' ' ' LYS . 59.5 p -153.79 -154.14 0.5 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 177.894 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 2.8 m -123.75 132.94 53.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.665 0.269 . . . . 0.0 110.765 179.885 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -99.98 56.14 0.95 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.073 0.463 . . . . 0.0 111.2 -179.67 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.772 ' SG ' ' HA ' ' A' ' 6' ' ' CYS . 0.8 OUTLIER -62.06 -17.75 58.5 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.172 179.788 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.79 ' H ' ' HB3' ' A' ' 6' ' ' CYS . 1.8 mttt -147.64 159.24 43.99 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.681 -179.238 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.8 74.83 0.61 Allowed 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.661 179.843 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.189 -0.91 . . . . 0.0 110.9 -179.826 . . . . . . . . 1 1 . 1 stop_ save_