data_1lup_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 1lup _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 2' ' ' CYS . . . . . . . . . . . . . 4.6 t . . . . . 0 N--CA 1.462 0.152 0 CA-C-O 120.889 0.376 . . . . 0.0 111.363 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -105.14 -75.8 0.62 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.873 178.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.544 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 170.36 54.55 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.122 0.487 . . . . 0.0 111.204 179.028 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 49.4 t90 56.75 158.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.459 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.415 ' HG3' ' CD1' ' A' ' 24' ' ' TRP . 3.2 ttp 40.78 32.15 0.15 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.692 -0.686 . . . . 0.0 112.044 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.442 ' CD1' ' HG3' ' A' ' 13' ' ' ARG . 1.0 OUTLIER -84.79 145.16 28.02 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 120.794 0.33 . . . . 0.0 110.236 179.618 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.434 ' OG1' ' CZ3' ' A' ' 7' ' ' TRP . 0.2 OUTLIER -44.08 127.74 5.56 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.411 0.522 . . . . 0.0 112.411 -179.407 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.45 ' HA ' ' CD ' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -91.81 141.56 28.53 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.869 179.517 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -159.93 -171.99 3.46 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.759 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -49.84 -50.09 46.73 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 121.129 0.49 . . . . 0.0 110.081 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -131.45 99.05 4.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.067 178.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.45 ' CD ' ' HA ' ' A' ' 9' ' ' CYS . 0.4 OUTLIER -114.17 150.48 34.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.67 -178.867 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -62.22 -114.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.747 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 60.62 135.89 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.943 0.402 . . . . 0.0 111.338 179.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 35.4 m -66.79 156.69 34.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.812 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.04 -20.69 26.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.773 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.87 46.47 3.11 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.6 -0.809 . . . . 0.0 112.947 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 50.8 mt -154.86 138.42 16.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.793 0.33 . . . . 0.0 111.069 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.3 p -82.49 160.55 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.32 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.7 t -113.54 114.44 26.51 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.198 0.523 . . . . 0.0 112.055 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.08 99.13 0.29 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.207 179.072 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.7 mt 69.88 -62.39 0.42 Allowed 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -178.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.415 ' CD1' ' HG3' ' A' ' 6' ' ' MET . 2.8 p90 -152.46 138.52 18.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.62 179.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.401 ' HB2' ' N ' ' A' ' 6' ' ' MET . 1.2 m -44.7 120.5 2.31 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.942 0.401 . . . . 0.0 111.676 -179.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -117.17 142.11 47.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.817 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.935 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.601 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 61.1 m . . . . . 0 N--CA 1.467 0.386 0 CA-C-O 121.249 0.547 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -85.19 149.95 25.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.342 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.59 127.89 19.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.613 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.476 ' O ' ' CB ' ' A' ' 6' ' ' MET . 0.1 OUTLIER -45.86 168.23 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.096 -179.641 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.476 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 3.8 ttp 88.09 -48.31 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.412 -179.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.409 ' HB3' ' CZ ' ' A' ' 13' ' ' ARG . 3.8 t90 -43.44 165.15 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -44.83 143.15 1.52 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.41 -0.813 . . . . 0.0 112.628 -179.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.477 ' HA ' ' CG ' ' A' ' 13' ' ' ARG . 4.4 t -126.68 137.22 53.25 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.164 179.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -144.35 -165.78 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.012 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.66 -30.81 14.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.999 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.23 99.69 3.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.477 ' CG ' ' HA ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -88.35 167.61 13.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.924 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.601 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 2.5 mptp? -92.42 -39.94 11.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.579 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.3 p -40.55 133.17 2.0 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.293 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 m -48.0 155.09 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.266 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -57.44 -20.65 31.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.494 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -53.04 -23.34 15.79 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.821 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.85 128.2 54.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.836 0.35 . . . . 0.0 111.079 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.4 m -58.58 -177.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.758 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.401 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 1.6 t -140.9 118.91 11.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.168 0.509 . . . . 0.0 111.955 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 0.1 OUTLIER -168.84 99.32 0.39 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.272 -0.877 . . . . 0.0 109.298 179.204 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.417 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 0.2 OUTLIER 72.93 -56.74 0.65 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -178.347 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.417 ' CZ3' HD11 ' A' ' 23' ' ' LEU . 1.4 p90 -144.66 120.04 10.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.558 178.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.424 ' HB2' ' NH2' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -41.91 99.76 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.978 0.418 . . . . 0.0 111.649 -179.106 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -88.63 137.8 31.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.998 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.458 ' HA ' ' CA ' ' A' ' 15' ' ' CYS . 3.8 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.799 0.333 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.435 ' HB2' ' CD1' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -58.84 -81.07 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.647 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.563 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 172.89 59.18 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.177 0.513 . . . . 0.0 110.624 179.464 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 56.26 161.79 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.394 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.525 ' N ' ' HB2' ' A' ' 25' ' ' CYS . 17.9 mtp 37.05 30.17 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.698 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.515 ' CZ3' ' CG2' ' A' ' 8' ' ' THR . 0.0 OUTLIER -88.17 123.96 33.34 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.856 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.515 ' CG2' ' CZ3' ' A' ' 7' ' ' TRP . 12.2 t -47.13 139.5 5.9 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.473 ' N ' ' NH1' ' A' ' 13' ' ' ARG . 11.9 t -78.11 157.29 29.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.233 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.6 p-10 -157.05 -162.25 1.2 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.619 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -49.9 -27.87 5.83 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.975 0.416 . . . . 0.0 110.392 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -155.62 99.68 2.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.368 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.591 ' CD ' ' HB2' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -68.38 99.66 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.183 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -53.98 -30.28 46.43 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.363 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.591 ' HB2' ' CD ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -34.27 150.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.87 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 m -68.72 157.44 36.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.547 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 pm0 -55.34 -21.16 13.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.775 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.45 -21.67 28.23 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.822 -0.704 . . . . 0.0 113.214 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.476 ' CB ' ' HB3' ' A' ' 25' ' ' CYS . 0.7 OUTLIER -119.94 165.99 13.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.895 0.379 . . . . 0.0 111.499 -179.498 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.8 m -109.99 179.87 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.88 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.2 t -106.39 107.62 18.73 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-O 121.316 0.579 . . . . 0.0 111.878 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.6 mtm-85 -170.39 98.34 0.26 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.328 -0.851 . . . . 0.0 108.889 178.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 67.12 -61.2 0.35 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.46 -178.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 3.3 p90 -155.02 147.48 24.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.959 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.525 ' HB2' ' N ' ' A' ' 6' ' ' MET . 29.1 m -42.65 116.53 0.88 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.851 0.358 . . . . 0.0 111.571 -179.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -123.92 108.85 12.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.49 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 44.7 t . . . . . 0 CA--C 1.523 -0.07 0 CA-C-O 121.222 0.534 . . . . 0.0 111.495 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.413 ' OE1' ' CD1' ' A' ' 7' ' ' TRP . 0.9 OUTLIER -91.32 -173.49 3.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.105 179.119 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.43 ' HA ' ' HE2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -97.23 74.59 2.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.035 0.445 . . . . 0.0 111.741 -179.386 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.485 ' CD1' HD21 ' A' ' 19' ' ' LEU . 1.2 m-90 53.67 172.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.175 178.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.527 ' N ' ' HB2' ' A' ' 25' ' ' CYS . 23.0 mtp 31.48 38.57 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 114.917 -1.038 . . . . 0.0 112.941 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.453 ' CZ3' ' OG1' ' A' ' 8' ' ' THR . 0.8 OUTLIER -90.51 142.34 27.84 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.792 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.453 ' OG1' ' CZ3' ' A' ' 7' ' ' TRP . 0.2 OUTLIER -40.19 120.4 1.19 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.895 0.379 . . . . 0.0 111.998 -179.456 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.418 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -100.85 153.82 19.16 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.686 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -168.8 -159.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.404 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -50.06 -27.21 5.25 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.859 0.362 . . . . 0.0 110.81 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -164.06 111.62 1.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.656 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.469 ' HD3' ' HB2' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -113.27 144.2 43.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.055 0.455 . . . . 0.0 111.012 179.9 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.49 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 3.6 mptt -61.69 -27.43 68.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.308 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.469 ' HB2' ' HD3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -33.69 150.7 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.17 -179.624 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.9 m -65.12 168.61 6.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.807 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -77.98 -2.29 36.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.857 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -95.73 28.51 12.19 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.481 -0.866 . . . . 0.0 112.676 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.485 HD21 ' CD1' ' A' ' 5' ' ' TRP . 16.3 mt -142.8 136.29 28.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.902 0.382 . . . . 0.0 111.396 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.6 t -77.24 137.68 21.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.498 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.443 ' HA ' ' NH2' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -86.21 106.88 17.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.99 0.424 . . . . 0.0 111.915 -179.239 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -170.12 99.15 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.801 179.078 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 68.92 -60.75 0.44 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.651 -179.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.418 ' CD1' ' HE1' ' A' ' 6' ' ' MET . 3.5 p90 -151.34 146.54 26.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.224 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.527 ' HB2' ' N ' ' A' ' 6' ' ' MET . 12.5 m -58.27 117.41 4.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.0 0.428 . . . . 0.0 111.14 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.412 ' HG2' ' CD1' ' A' ' 24' ' ' TRP . 49.1 mtmt -113.52 145.6 40.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.416 ' HG3' ' CD1' ' A' ' 5' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.4 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.344 0.592 . . . . 0.0 111.782 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.446 ' O ' ' HB2' ' A' ' 4' ' ' LYS . 0.6 OUTLIER -106.72 -80.45 0.56 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.23 178.739 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.595 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 178.2 36.61 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.591 178.291 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.45 ' C ' ' H ' ' A' ' 7' ' ' TRP . 30.8 t90 59.09 150.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.999 0.428 . . . . 0.0 111.214 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.467 ' O ' ' HB2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 66.45 -35.43 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 179.523 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.45 ' H ' ' C ' ' A' ' 5' ' ' TRP . 2.3 t90 -39.68 157.94 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.326 0.584 . . . . 0.0 112.456 -179.021 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.432 ' N ' ' CE3' ' A' ' 7' ' ' TRP . 0.2 OUTLIER -40.95 142.28 0.5 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.318 -0.856 . . . . 0.0 112.985 -178.797 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -123.15 124.9 44.1 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.497 179.346 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -136.52 -165.86 1.8 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.814 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.84 -27.3 7.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.958 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.89 99.81 1.24 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.788 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.463 ' CD ' ' HB2' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -113.46 -179.38 3.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.801 179.789 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.401 ' CD ' ' N ' ' A' ' 14' ' ' LYS . 1.3 mptp? -80.51 -107.9 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.929 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.463 ' HB2' ' CD ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 59.5 125.64 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.917 0.389 . . . . 0.0 111.325 179.808 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.2 m -51.33 156.75 1.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.018 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -53.74 -23.12 10.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.795 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.83 47.27 2.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.84 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.5 mt -155.97 136.34 13.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.796 0.332 . . . . 0.0 111.312 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.8 m -82.47 169.96 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.247 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.2 t -131.02 122.83 27.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.404 0.621 . . . . 0.0 112.372 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -170.35 99.24 0.27 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.234 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.9 mt 68.51 -61.39 0.41 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.018 0.437 . . . . 0.0 109.929 -178.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.467 ' HB2' ' O ' ' A' ' 6' ' ' MET . 0.3 OUTLIER -146.97 126.42 13.19 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.828 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -40.23 144.96 0.18 Allowed 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.97 0.414 . . . . 0.0 111.754 -178.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -132.2 144.26 50.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.823 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 28.0 m . . . . . 0 N--CA 1.461 0.08 0 CA-C-O 120.723 0.297 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -86.47 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.709 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.464 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -179.66 58.05 0.01 OUTLIER 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.803 0.335 . . . . 0.0 111.689 179.576 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.444 ' CE2' ' CG ' ' A' ' 6' ' ' MET . 33.1 t90 58.26 158.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.159 0.504 . . . . 0.0 111.788 178.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.529 ' N ' ' HB2' ' A' ' 25' ' ' CYS . 3.1 mmt 38.64 39.65 0.34 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.153 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.464 ' CZ3' ' OG1' ' A' ' 8' ' ' THR . 1.1 t-105 -93.1 153.23 18.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.8 0.333 . . . . 0.0 110.229 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.464 ' OG1' ' CZ3' ' A' ' 7' ' ' TRP . 0.2 OUTLIER -48.56 112.7 0.63 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.145 179.708 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -109.93 125.46 52.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.973 -179.83 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 2.0 m-20 155.32 -86.35 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.948 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -65.94 -50.11 65.56 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.943 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -135.32 99.42 4.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.094 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.421 ' NE ' ' HB2' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -92.67 123.21 35.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.348 179.552 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.46 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 0.4 OUTLIER -114.05 -50.83 2.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.746 -179.045 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 20.3 p -36.65 141.48 0.12 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.294 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.5 m -47.1 142.55 3.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.42 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -52.56 -23.52 6.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.848 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.73 -20.14 23.85 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.845 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.5 mt -97.78 141.63 30.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.893 0.378 . . . . 0.0 111.212 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.2 t -66.07 161.8 3.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.183 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.6 t -114.86 103.13 10.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.946 0.403 . . . . 0.0 111.584 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -170.26 99.37 0.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.855 179.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.5 mt 69.31 -61.12 0.44 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.925 0.393 . . . . 0.0 110.266 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -145.01 134.6 23.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.873 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.529 ' HB2' ' N ' ' A' ' 6' ' ' MET . 35.4 m -45.97 111.29 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.011 0.434 . . . . 0.0 111.568 -179.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.3 mtmm -124.74 143.34 50.83 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.041 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.422 ' HD2' ' CD1' ' A' ' 5' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 3' ' ' GLN . 11.4 t . . . . . 0 CA--C 1.52 -0.2 0 CA-C-O 120.985 0.421 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 2' ' ' CYS . 6.0 mm100 -26.91 -71.33 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.832 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.5 146.84 0.08 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.796 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.42 ' CZ2' ' HG3' ' A' ' 6' ' ' MET . 7.4 t90 -45.66 145.84 1.25 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.44 ' HA ' ' HB2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 68.13 46.78 1.11 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.294 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.475 ' H ' ' HB2' ' A' ' 25' ' ' CYS . 1.5 t-105 -104.87 154.18 20.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.904 0.383 . . . . 0.0 110.721 179.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.466 ' N ' ' CD2' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -55.9 108.71 0.48 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.946 179.7 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.4 t -85.94 136.73 33.16 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 179.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -171.35 -161.0 0.19 Allowed 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.553 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -49.53 -31.49 10.39 Favored 'General case' 0 CA--C 1.522 -0.112 0 CA-C-O 120.987 0.423 . . . . 0.0 110.197 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -129.64 98.45 4.83 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.232 178.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.471 ' NH2' ' HA ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -89.32 156.73 18.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.986 -179.852 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.425 ' HE2' ' CZ2' ' A' ' 7' ' ' TRP . 8.9 mptt -116.56 -61.19 1.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.445 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.0 p -39.15 152.06 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.21 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.6 m -53.72 135.23 41.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.164 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -54.06 -24.46 17.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.649 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.87 -20.34 40.37 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.599 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.6 mt -92.76 132.46 36.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.706 0.288 . . . . 0.0 111.177 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.9 p -56.3 161.83 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.189 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.471 ' HA ' ' NH2' ' A' ' 13' ' ' ARG . 11.5 t -116.62 116.53 27.74 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.292 0.568 . . . . 0.0 112.225 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -170.2 98.19 0.27 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.006 -0.997 . . . . 0.0 108.777 178.123 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.416 HD12 ' CE3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER 66.24 -60.86 0.3 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.907 0.384 . . . . 0.0 110.229 -178.758 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.479 ' N ' ' O ' ' A' ' 22' ' ' ARG . 2.8 p90 -141.35 134.57 29.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.014 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.475 ' HB2' ' H ' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -42.37 130.81 3.8 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.865 0.364 . . . . 0.0 111.428 -179.236 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -134.78 160.6 37.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.922 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.49 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 52.7 t . . . . . 0 CA--C 1.518 -0.255 0 CA-C-O 121.415 0.626 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.07 -162.73 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.352 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.473 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -110.51 65.61 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.025 0.441 . . . . 0.0 111.651 -179.524 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.471 ' CG ' ' N ' ' A' ' 6' ' ' MET . 43.1 t90 55.91 163.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.521 178.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.471 ' N ' ' CG ' ' A' ' 5' ' ' TRP . 6.4 ptt? 47.7 38.01 7.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.58 -0.737 . . . . 0.0 112.142 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.491 ' CD1' ' HD3' ' A' ' 13' ' ' ARG . 1.7 t-105 -96.22 152.06 18.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.837 0.351 . . . . 0.0 110.478 179.238 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.436 ' OG1' ' CZ3' ' A' ' 7' ' ' TRP . 0.2 OUTLIER -53.11 124.81 15.42 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.129 -179.683 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.439 ' HA ' ' CD ' ' A' ' 13' ' ' ARG . 1.7 t -96.53 138.1 34.61 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.226 179.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.1 p-10 -163.78 -166.33 1.17 Allowed 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.46 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -49.57 -38.14 30.16 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 121.012 0.434 . . . . 0.0 110.207 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -128.88 98.5 4.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.149 178.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.491 ' HD3' ' CD1' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -83.38 168.94 16.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.435 -179.575 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 9.2 mptt -117.78 -53.75 2.38 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.611 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.49 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 24.7 p -44.83 166.59 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.142 0.496 . . . . 0.0 111.263 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 68.6 m -69.1 141.39 54.71 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.156 -178.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -50.09 -25.02 3.06 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.977 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.63 -18.94 25.69 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.848 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.5 mt -98.61 126.04 44.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.803 0.335 . . . . 0.0 111.325 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.2 p -58.12 159.74 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.457 ' HA ' ' NH2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -106.97 107.59 18.69 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.03 0.443 . . . . 0.0 112.008 -179.518 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -170.02 98.95 0.29 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.548 178.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.9 mt 68.04 -60.39 0.41 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.771 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 31.8 p90 -144.25 148.0 34.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.359 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.424 ' SG ' ' NE ' ' A' ' 13' ' ' ARG . 17.4 m -55.44 121.53 9.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.877 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 ttmm -115.57 145.76 42.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.013 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.49 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 38.1 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.742 0.306 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.98 157.15 19.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.398 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.407 ' CE ' ' HA ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -76.15 62.89 1.77 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.516 -179.403 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.465 ' CG ' ' N ' ' A' ' 6' ' ' MET . 53.5 t90 57.03 164.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.231 0.539 . . . . 0.0 111.355 179.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.465 ' N ' ' CG ' ' A' ' 5' ' ' TRP . 13.5 ttt 54.32 33.44 18.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.827 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.516 ' CH2' ' CG2' ' A' ' 8' ' ' THR . 1.2 t-105 -98.11 143.87 28.19 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.516 ' CG2' ' CH2' ' A' ' 7' ' ' TRP . 0.7 OUTLIER -51.83 151.98 3.19 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.022 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -105.93 143.24 34.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.52 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -161.11 -167.47 1.81 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.82 0.343 . . . . 0.0 110.963 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.4 -33.17 42.45 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.295 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -142.44 99.53 3.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.323 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.472 ' HD2' ' CD1' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -88.21 122.59 31.92 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.646 -179.646 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.49 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 0.3 OUTLIER -54.53 -41.53 69.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.397 -179.687 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.421 ' CA ' ' HA ' ' A' ' 2' ' ' CYS . 0.0 OUTLIER -36.81 142.31 0.1 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.775 -179.591 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 m -64.63 154.43 36.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -57.97 -20.91 41.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.469 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.56 -20.2 37.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.931 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 mt -110.35 159.0 17.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.732 0.301 . . . . 0.0 111.154 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.4 t -93.47 155.07 3.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.148 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.449 ' HB2' ' NH1' ' A' ' 13' ' ' ARG . 50.8 t -103.32 119.25 38.52 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.119 0.485 . . . . 0.0 111.975 -179.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -169.94 99.05 0.3 Allowed 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.467 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.6 mt 69.1 -61.63 0.42 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.986 0.422 . . . . 0.0 110.141 -178.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.8 p90 -147.62 152.81 38.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.009 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.454 ' HB3' ' N ' ' A' ' 6' ' ' MET . 1.8 t -53.76 108.67 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.844 0.354 . . . . 0.0 110.762 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.42 170.03 8.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.432 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.083 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.461 ' HA ' ' CA ' ' A' ' 15' ' ' CYS . 48.1 t . . . . . 0 CA--C 1.522 -0.127 0 CA-C-O 121.132 0.491 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.35 -77.35 0.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.813 179.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.534 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 167.61 52.61 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.608 179.044 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.425 ' CD1' ' HD3' ' A' ' 27' ' ' ARG . 42.2 t90 60.9 151.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.244 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.416 ' HG3' ' CH2' ' A' ' 5' ' ' TRP . 0.3 OUTLIER 54.87 38.67 30.72 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.358 179.237 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.423 ' HD1' ' NH1' ' A' ' 13' ' ' ARG . 1.5 t-105 -101.91 149.18 24.47 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.921 0.391 . . . . 0.0 110.189 178.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.411 ' OG1' ' CZ3' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -53.22 125.92 19.21 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -179.011 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 m -76.12 155.04 35.04 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 -158.65 -174.54 4.83 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.474 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -49.67 -37.79 30.0 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 121.383 0.611 . . . . 0.0 109.536 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -130.19 98.53 4.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.127 178.07 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.599 ' NH1' ' HB2' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -76.06 149.66 37.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.469 -179.036 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.21 -94.05 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.815 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.599 ' HB2' ' NH1' ' A' ' 13' ' ' ARG . 0.8 OUTLIER 45.66 -172.19 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.062 0.458 . . . . 0.0 111.225 -179.658 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.4 m -104.01 166.89 10.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.431 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -55.6 -18.7 8.23 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -178.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -102.59 53.49 0.77 Allowed Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.187 -1.006 . . . . 0.0 113.872 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.6 mt -157.64 165.11 36.35 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 117.204 0.502 . . . . 0.0 111.485 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.3 p -118.32 163.53 15.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.062 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.468 ' CB ' ' HD2' ' A' ' 13' ' ' ARG . 42.4 t -107.21 114.89 29.22 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -179.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -170.26 98.47 0.27 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.044 178.33 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 66.15 -61.67 0.28 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.181 0.515 . . . . 0.0 109.859 -178.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.493 ' N ' ' O ' ' A' ' 22' ' ' ARG . 3.9 p90 -151.61 140.86 21.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.296 178.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -44.91 126.29 5.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.926 0.393 . . . . 0.0 111.614 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -138.21 133.56 33.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.425 ' HD3' ' CD1' ' A' ' 5' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.6 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 121.133 0.492 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -106.45 -75.97 0.62 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.474 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.427 ' O ' ' HB3' ' A' ' 7' ' ' TRP . 0.0 OUTLIER 173.48 150.83 0.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.486 179.775 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.441 ' CG ' ' N ' ' A' ' 6' ' ' MET . 52.8 t90 -38.8 159.48 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.246 0.546 . . . . 0.0 111.978 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.441 ' N ' ' CG ' ' A' ' 5' ' ' TRP . 1.9 ptt? 50.4 21.84 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.211 -0.904 . . . . 0.0 112.475 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.605 ' CE2' ' O ' ' A' ' 8' ' ' THR . 0.7 OUTLIER -74.51 134.9 42.2 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.577 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.605 ' O ' ' CE2' ' A' ' 7' ' ' TRP . 14.6 t -58.54 137.3 57.5 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.183 0.516 . . . . 0.0 112.379 -178.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.54 ' HB3' ' HD2' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -126.4 160.9 29.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.608 -179.742 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -172.99 -86.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.071 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -93.89 -47.71 6.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.92 0.39 . . . . 0.0 110.59 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -137.79 99.48 3.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.304 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.54 ' HD2' ' HB3' ' A' ' 9' ' ' CYS . 2.1 ttt-85 -102.16 115.4 30.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.381 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -55.17 -98.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.504 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 49.54 -177.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.0 m -107.58 173.67 6.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.082 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -69.83 -8.27 47.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.155 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -92.44 25.13 19.61 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.947 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.408 ' CD1' ' SG ' ' A' ' 25' ' ' CYS . 21.6 mt -147.67 176.98 9.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.603 0.239 . . . . 0.0 110.879 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -126.02 176.36 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-O 120.781 0.324 . . . . 0.0 111.631 -179.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.433 ' HB2' ' HD3' ' A' ' 13' ' ' ARG . 6.2 t -113.81 109.23 18.21 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.073 0.463 . . . . 0.0 111.49 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 24' ' ' TRP . 8.4 mtm-85 -170.25 98.6 0.27 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.172 178.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.415 HD11 ' CE3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER 67.51 -61.22 0.36 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.933 0.397 . . . . 0.0 110.027 -178.669 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.441 ' N ' ' O ' ' A' ' 22' ' ' ARG . 3.7 p90 -148.81 143.68 26.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.93 179.23 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.526 ' HB2' ' H ' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -44.13 108.64 0.12 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.936 0.398 . . . . 0.0 111.342 -179.58 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -87.94 148.81 24.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.042 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.9 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.047 0.451 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -116.28 -73.96 0.63 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.315 179.864 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.441 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 171.68 137.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.647 179.54 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.445 ' HA ' ' HB3' ' A' ' 25' ' ' CYS . 84.4 t90 -51.6 145.89 8.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.212 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.442 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 0.0 OUTLIER 85.33 -42.2 0.06 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.218 179.31 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.549 ' HB3' HH21 ' A' ' 13' ' ' ARG . 1.9 t90 -42.64 162.72 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -178.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.406 ' N ' ' CE3' ' A' ' 7' ' ' TRP . 0.2 OUTLIER -48.34 143.1 4.97 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 114.933 -1.031 . . . . 0.0 113.644 -178.792 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.568 ' HA ' ' HD2' ' A' ' 13' ' ' ARG . 8.6 t -127.12 136.41 52.09 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.485 178.062 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -148.85 -159.22 1.01 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.475 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -49.7 -49.53 47.34 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.08 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -131.98 98.69 4.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.049 0.452 . . . . 0.0 111.132 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.568 ' HD2' ' HA ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -96.94 169.15 10.03 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.986 179.763 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 3' ' ' GLN . 14.9 mmtp -122.77 62.06 0.99 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.393 179.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.492 ' HB3' ' HB2' ' A' ' 19' ' ' LEU . 21.7 m -82.15 165.94 20.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.283 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -70.83 175.19 5.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.859 0.361 . . . . 0.0 110.7 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -63.43 -14.68 53.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.092 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -125.79 59.56 0.65 Allowed Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.336 -0.935 . . . . 0.0 113.145 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.492 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 78.8 mt -156.3 145.18 20.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 0.0 111.114 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.8 t -100.57 164.54 2.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.56 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.6 t -117.57 118.54 32.43 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.321 0.582 . . . . 0.0 112.083 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -170.0 99.13 0.29 Allowed 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.148 -0.933 . . . . 0.0 108.962 178.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 mt 69.74 -56.81 0.56 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.003 0.43 . . . . 0.0 109.848 -178.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -139.63 143.01 37.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.697 178.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.445 ' HB3' ' HA ' ' A' ' 5' ' ' TRP . 7.9 t -46.56 103.62 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 110.916 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -61.97 167.86 3.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.112 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.426 ' HA ' ' CA ' ' A' ' 15' ' ' CYS . 3.7 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.713 0.292 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.458 ' HG3' ' CD2' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -49.96 -77.67 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.537 179.761 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.599 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 167.24 51.68 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.185 0.517 . . . . 0.0 111.257 178.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.413 ' CE2' ' HG3' ' A' ' 6' ' ' MET . 36.3 t90 56.92 155.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.194 178.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.421 ' HG2' ' CD1' ' A' ' 24' ' ' TRP . 11.7 mtt 39.85 28.64 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.034 -0.985 . . . . 0.0 113.349 179.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.532 ' CZ3' ' CG2' ' A' ' 8' ' ' THR . 2.8 p-90 -87.43 172.54 9.73 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.151 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.532 ' CG2' ' CZ3' ' A' ' 7' ' ' TRP . 7.5 t -71.71 130.28 40.76 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -177.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.463 ' HB2' ' NH2' ' A' ' 13' ' ' ARG . 36.8 t -78.89 147.66 33.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.665 -1.152 . . . . 0.0 110.701 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.8 p-10 -152.7 -171.13 3.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.041 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -49.91 -33.17 16.53 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.962 0.41 . . . . 0.0 110.536 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -142.15 99.37 3.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.308 179.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.566 ' CD ' ' HB2' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -77.48 111.74 13.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.107 -179.586 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 2.0 mptp? -57.66 -23.87 53.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.963 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.566 ' HB2' ' CD ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -33.93 152.4 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.928 179.888 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 m -68.54 -179.69 1.44 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.487 179.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -79.95 5.33 14.23 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -106.93 28.06 14.27 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.376 -0.916 . . . . 0.0 113.263 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.8 mt -147.03 167.18 24.68 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.982 0.391 . . . . 0.0 111.396 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.6 t -114.42 165.09 9.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.211 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.489 ' SG ' ' HG3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -107.53 108.72 20.15 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.071 0.462 . . . . 0.0 112.001 -179.586 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -170.24 98.75 0.27 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.299 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mm? 67.21 -61.07 0.35 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.369 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.456 ' HA ' ' O ' ' A' ' 7' ' ' TRP . 2.7 p90 -149.34 141.39 23.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.982 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.473 ' N ' ' NH2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -52.07 115.99 1.98 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.96 0.409 . . . . 0.0 111.443 -179.249 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.7 mtmm -117.39 145.32 44.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.426 ' N ' ' O ' ' A' ' 14' ' ' LYS . 50.4 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.874 0.369 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.428 ' CG ' ' N ' ' A' ' 4' ' ' LYS . 1.9 tt0 -91.42 -81.69 0.32 Allowed 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.026 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.553 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 178.53 60.66 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.014 0.435 . . . . 0.0 111.554 179.387 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.488 ' CE2' ' CD2' ' A' ' 19' ' ' LEU . 0.4 OUTLIER 58.41 152.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.099 178.763 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.472 ' HA ' ' N ' ' A' ' 25' ' ' CYS . 23.4 mtm 47.47 20.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.25 -0.887 . . . . 0.0 113.163 179.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.511 ' CH2' ' CG2' ' A' ' 8' ' ' THR . 0.4 OUTLIER -74.44 150.79 39.79 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.322 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.511 ' CG2' ' CH2' ' A' ' 7' ' ' TRP . 0.7 OUTLIER -54.29 143.93 21.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.277 0.56 . . . . 0.0 112.179 -178.754 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.5 t -99.25 147.83 24.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.242 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -156.17 -164.26 1.65 Allowed 'General case' 0 C--O 1.232 0.166 0 C-N-CA 120.949 -0.301 . . . . 0.0 111.267 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -49.74 -46.8 50.81 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 121.061 0.458 . . . . 0.0 110.3 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -126.23 98.75 5.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.99 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.553 ' HG2' HH11 ' A' ' 13' ' ' ARG . 0.0 OUTLIER -75.17 99.94 4.13 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.871 -179.208 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 2' ' ' CYS . 0.0 OUTLIER -59.96 -24.09 64.12 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.073 0.463 . . . . 0.0 110.089 178.704 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.52 ' CB ' ' HD3' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -36.56 161.27 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.18 -0.918 . . . . 0.0 112.106 179.539 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.5 m -60.98 155.4 20.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.613 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -68.93 -11.71 60.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.849 -179.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -100.01 43.27 1.81 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.93 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.488 ' CD2' ' CE2' ' A' ' 5' ' ' TRP . 19.5 mt -146.7 162.17 39.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.788 0.327 . . . . 0.0 111.115 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.8 t -100.11 160.08 3.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.261 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.91 102.19 11.22 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.137 0.494 . . . . 0.0 111.82 -179.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.7 mtm-85 -170.26 99.13 0.27 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.565 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.4 mt 69.41 -61.64 0.43 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.974 0.416 . . . . 0.0 110.11 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.3 p90 -149.19 151.52 34.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.988 179.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.49 ' N ' ' NH2' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -56.79 101.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.989 0.423 . . . . 0.0 111.142 -179.494 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -97.81 137.8 36.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.942 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.459 ' HA ' ' N ' ' A' ' 16' ' ' CYS . 38.5 t . . . . . 0 CA--C 1.523 -0.078 0 CA-C-O 121.144 0.497 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -101.63 -72.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.467 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.411 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 177.42 134.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.611 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.427 ' CD1' ' HA ' ' A' ' 26' ' ' LYS . 8.0 t90 -53.82 147.98 10.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.425 ' HB2' ' CE3' ' A' ' 5' ' ' TRP . 2.8 ttt 83.37 -45.71 0.12 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.736 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.465 ' HB3' ' NH2' ' A' ' 13' ' ' ARG . 3.3 t90 -40.04 161.12 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -179.3 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.406 ' OG1' ' CZ3' ' A' ' 7' ' ' TRP . 0.2 OUTLIER -41.03 140.39 0.76 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.318 -0.856 . . . . 0.0 112.421 -179.434 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.473 ' HA ' ' CD ' ' A' ' 13' ' ' ARG . 1.8 t -121.4 152.02 39.52 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.796 179.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -148.91 -162.69 1.61 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.284 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -50.51 -41.23 53.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.975 0.417 . . . . 0.0 110.624 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -170.2 99.88 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.577 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.473 ' CD ' ' HA ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -95.66 -175.78 3.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.829 0.347 . . . . 0.0 111.209 -179.864 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 15' ' ' CYS . 8.6 mptt -68.99 -24.56 64.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.132 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.465 ' H ' ' HG3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -25.61 121.34 0.07 Allowed 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.372 0.42 . . . . 0.0 112.11 -179.399 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.459 ' N ' ' HA ' ' A' ' 2' ' ' CYS . 0.1 OUTLIER -44.4 151.58 0.25 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.084 -179.68 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -51.74 -24.75 6.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.795 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.53 48.41 3.34 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.71 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.1 mt -156.64 139.52 15.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.831 0.348 . . . . 0.0 111.219 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.3 p -88.21 160.38 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.076 179.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.3 t -124.83 118.23 25.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.417 0.627 . . . . 0.0 112.242 -179.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 24' ' ' TRP . 9.1 mtm180 -170.1 99.11 0.28 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.102 -0.954 . . . . 0.0 108.865 178.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 mt 68.04 -62.05 0.36 Allowed 'General case' 0 N--CA 1.463 0.175 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -178.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.425 ' N ' ' O ' ' A' ' 22' ' ' ARG . 0.9 OUTLIER -137.99 124.76 21.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.454 178.798 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -44.01 133.41 5.08 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.916 0.388 . . . . 0.0 111.538 -179.223 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.427 ' HA ' ' CD1' ' A' ' 5' ' ' TRP . 35.1 mtpt -126.79 170.53 12.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.416 ' HD2' ' CD1' ' A' ' 5' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.473 ' HB2' ' CA ' ' A' ' 16' ' ' CYS . 36.7 t . . . . . 0 CA--C 1.522 -0.104 0 CA-C-O 121.116 0.484 . . . . 0.0 111.061 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -82.16 -80.96 0.15 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.107 179.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.515 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 175.19 63.65 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.18 0.514 . . . . 0.0 110.94 179.214 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.415 ' CE3' ' HG2' ' A' ' 6' ' ' MET . 32.2 t90 59.7 152.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.363 179.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.425 ' HA ' ' N ' ' A' ' 25' ' ' CYS . 3.3 ptt? 39.83 68.43 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.787 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.5 ' CD1' ' HG3' ' A' ' 13' ' ' ARG . 0.6 OUTLIER -118.73 152.62 35.81 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 178.173 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.452 ' O ' ' CE2' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -52.12 114.45 1.33 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.807 0.337 . . . . 0.0 111.815 -179.676 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.9 t -91.78 135.73 33.69 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.225 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -161.69 -164.82 1.16 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.023 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -49.9 -36.64 28.14 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.892 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -138.32 99.42 3.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.691 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.5 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -105.83 157.02 17.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.635 -179.874 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.428 ' N ' ' CD ' ' A' ' 14' ' ' LYS . 2.2 mptt -92.37 -32.66 14.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.259 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.436 ' HB2' ' CD ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -30.56 146.93 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.125 -179.656 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.473 ' CA ' ' HB2' ' A' ' 2' ' ' CYS . 0.1 OUTLIER -70.92 160.74 32.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.837 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -64.77 -13.49 55.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.151 -179.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.67 39.92 3.08 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.466 -0.874 . . . . 0.0 112.84 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 25.1 mt -151.97 154.25 35.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 0.0 110.971 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.6 t -88.9 153.8 3.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.944 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.45 107.63 18.74 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.113 0.483 . . . . 0.0 111.817 -179.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.445 ' O ' ' HB2' ' A' ' 23' ' ' LEU . 1.4 ttt-85 -170.03 99.36 0.29 Allowed 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.556 179.218 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.445 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 3.0 mm? 67.84 -60.99 0.39 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.308 -178.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.418 ' CD1' ' O ' ' A' ' 24' ' ' TRP . 6.1 p90 -154.78 138.89 16.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.876 179.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.441 ' SG ' ' CZ ' ' A' ' 13' ' ' ARG . 1.2 m -41.42 127.9 3.02 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.907 0.384 . . . . 0.0 111.678 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -113.52 149.03 34.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.825 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.2 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.907 0.384 . . . . 0.0 111.485 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.467 ' O ' ' CB ' ' A' ' 4' ' ' LYS . 0.7 OUTLIER -70.06 -77.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 178.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.544 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 157.37 58.67 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.157 0.503 . . . . 0.0 110.901 178.592 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.419 ' CD2' ' HG3' ' A' ' 6' ' ' MET . 23.9 t90 59.91 144.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.62 179.416 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.419 ' HG3' ' CD2' ' A' ' 5' ' ' TRP . 9.5 mtp 55.29 47.7 20.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.943 179.461 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.528 ' CH2' ' CG2' ' A' ' 8' ' ' THR . 1.0 OUTLIER -114.4 137.17 52.17 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 178.616 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.528 ' CG2' ' CH2' ' A' ' 7' ' ' TRP . 0.6 OUTLIER -41.18 148.6 0.12 Allowed 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -178.338 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.447 ' SG ' ' HG2' ' A' ' 13' ' ' ARG . 4.1 t -111.17 164.49 12.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.101 179.44 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -177.64 -170.5 0.27 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.441 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -49.91 -30.47 10.25 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.048 0.451 . . . . 0.0 110.657 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -157.31 99.71 1.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.06 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.643 ' HD2' ' HB2' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -119.59 148.37 43.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.141 0.496 . . . . 0.0 111.495 -179.05 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -41.94 -92.41 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.185 -179.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.643 ' HB2' ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 58.68 164.35 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.863 0.363 . . . . 0.0 110.373 -179.169 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.433 ' H ' ' CD1' ' A' ' 19' ' ' LEU . 11.1 m -102.6 174.55 5.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.497 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -57.65 -20.59 34.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.695 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.35 65.24 0.45 Allowed Glycine 0 CA--C 1.518 0.256 0 C-N-CA 120.455 -0.879 . . . . 0.0 113.401 -179.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.433 ' CD1' ' H ' ' A' ' 16' ' ' CYS . 95.6 mt -151.06 140.85 21.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.867 0.365 . . . . 0.0 111.252 179.496 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -92.93 -169.97 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.499 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 54.1 t -125.66 113.22 17.08 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.181 0.515 . . . . 0.0 112.157 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 24' ' ' TRP . 7.9 mtt180 -170.38 98.39 0.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.098 178.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.9 mt 66.71 -60.51 0.34 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.329 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.459 ' N ' ' O ' ' A' ' 22' ' ' ARG . 1.2 p90 -148.2 152.74 37.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.163 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.438 ' HB2' ' H ' ' A' ' 7' ' ' TRP . 96.0 m -42.92 124.07 3.0 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.844 0.354 . . . . 0.0 111.399 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.6 mtmt -134.23 139.95 46.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 3.4 m . . . . . 0 N--CA 1.462 0.164 0 CA-C-O 120.617 0.246 . . . . 0.0 111.318 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.576 ' O ' ' CB ' ' A' ' 4' ' ' LYS . 0.6 OUTLIER -56.46 -48.87 76.18 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.011 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.576 ' CB ' ' O ' ' A' ' 3' ' ' GLN . 0.0 OUTLIER 130.81 65.36 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.951 178.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.424 ' CE2' ' HG3' ' A' ' 6' ' ' MET . 38.4 t90 59.23 146.09 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.029 179.147 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.424 ' HG3' ' CE2' ' A' ' 5' ' ' TRP . 5.0 mtm 41.75 65.22 0.9 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.814 179.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.659 ' CD1' ' HD2' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -118.41 130.79 56.18 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 178.714 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -39.68 121.41 1.24 Allowed 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -178.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.599 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -85.57 160.38 19.65 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 179.361 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -176.13 -160.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.462 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -49.99 -28.34 6.76 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.856 0.36 . . . . 0.0 111.112 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.6 pm0 -153.41 100.66 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.622 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.659 ' HD2' ' CD1' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -100.75 109.85 21.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.819 -179.706 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 3' ' ' GLN . 14.6 mmtt -71.57 61.99 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.105 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.548 ' HB2' ' CG ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -109.37 149.52 29.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.015 179.556 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -61.86 157.54 18.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.937 0.398 . . . . 0.0 110.852 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -65.9 -11.53 47.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.284 -178.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.12 34.48 4.26 Favored Glycine 0 CA--C 1.517 0.178 0 C-N-CA 120.375 -0.917 . . . . 0.0 112.931 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.6 mt -148.06 161.96 40.34 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.764 0.316 . . . . 0.0 111.135 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.415 ' O ' ' NH2' ' A' ' 13' ' ' ARG . 21.3 t -110.84 145.89 16.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.93 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.503 ' HA ' ' NH2' ' A' ' 13' ' ' ARG . 49.3 t -87.14 110.7 20.31 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.047 0.451 . . . . 0.0 112.022 -179.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 4.1 mtp180 -170.17 98.85 0.28 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.223 178.645 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mm? 67.14 -60.8 0.36 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.256 -178.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.6 p90 -158.19 136.93 11.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.928 179.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.501 ' HA ' ' NH2' ' A' ' 13' ' ' ARG . 1.2 m -41.71 116.73 0.82 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.031 0.443 . . . . 0.0 111.885 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -118.93 148.35 43.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.735 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.461 0.102 0 CA-C-O 120.761 0.315 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.577 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 10.0 mt-30 -70.15 -65.63 0.7 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.729 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.577 ' HD3' ' HB3' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -175.94 34.12 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 179.617 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.432 ' CE3' ' HG2' ' A' ' 6' ' ' MET . 1.0 OUTLIER 65.46 161.37 0.13 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.815 0.34 . . . . 0.0 110.256 -179.831 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.542 ' HA ' ' N ' ' A' ' 25' ' ' CYS . 21.4 ptt? 45.9 46.19 12.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.601 -179.501 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.514 ' CE2' ' O ' ' A' ' 8' ' ' THR . 1.1 t-105 -94.25 154.64 17.43 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 121.031 0.443 . . . . 0.0 110.923 179.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.514 ' O ' ' CE2' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -59.74 108.02 0.68 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.19 -179.881 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.549 ' HA ' ' NH1' ' A' ' 13' ' ' ARG . 49.4 t -58.32 134.0 56.19 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.729 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -165.57 -164.98 0.78 Allowed 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.428 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -49.77 -28.07 5.76 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.815 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -138.91 98.93 3.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.03 0.443 . . . . 0.0 111.209 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.549 ' NH1' ' HA ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -71.84 99.8 2.27 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.599 179.498 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -57.62 -60.99 2.84 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.953 -179.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 p -41.0 145.59 0.2 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.079 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -44.79 139.62 2.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.852 -179.028 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.78 -26.86 48.14 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.536 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -51.34 -24.62 10.82 Favored Glycine 0 CA--C 1.518 0.22 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.198 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.407 ' HB2' ' SG ' ' A' ' 25' ' ' CYS . 6.9 mt -88.99 -175.63 4.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.477 0.179 . . . . 0.0 110.667 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.2 t -115.07 151.51 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-O 120.745 0.307 . . . . 0.0 111.704 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.448 ' SG ' ' HD2' ' A' ' 13' ' ' ARG . 0.6 OUTLIER -95.96 99.78 11.53 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.414 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.33 99.49 0.27 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.886 179.42 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.417 HD13 ' CE3' ' A' ' 24' ' ' TRP . 0.2 OUTLIER 70.34 -61.6 0.46 Allowed 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -178.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.417 ' CE3' HD13 ' A' ' 23' ' ' LEU . 9.0 p90 -157.4 136.08 11.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.856 179.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.542 ' N ' ' HA ' ' A' ' 6' ' ' MET . 1.1 m -45.68 112.71 0.49 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.908 0.385 . . . . 0.0 111.405 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -105.02 142.3 35.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.94 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.946 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 20.6 m . . . . . 0 CA--C 1.527 0.092 0 CA-C-O 120.659 0.266 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -79.36 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 120.776 0.322 . . . . 0.0 110.358 179.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.474 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 175.75 52.53 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.967 0.413 . . . . 0.0 111.397 179.289 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.45 ' CE3' ' CB ' ' A' ' 6' ' ' MET . 48.5 t90 60.39 157.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.258 0.552 . . . . 0.0 111.614 179.09 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' MET . . . . . 0.45 ' CB ' ' CE3' ' A' ' 5' ' ' TRP . 2.6 tmm? 46.55 27.16 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.576 179.532 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . 0.518 ' CZ2' HG21 ' A' ' 8' ' ' THR . 1.6 t-105 -85.04 154.2 22.24 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 178.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.518 HG21 ' CZ2' ' A' ' 7' ' ' TRP . 0.4 OUTLIER -49.16 154.95 0.73 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.028 0.442 . . . . 0.0 111.689 -179.683 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.5 t -144.92 144.72 31.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.941 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -165.26 -85.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.817 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -101.56 -50.25 3.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.014 0.435 . . . . 0.0 110.208 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.51 99.57 3.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.795 179.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.448 ' CZ ' ' SG ' ' A' ' 25' ' ' CYS . 1.9 ptp85 -84.41 -170.03 2.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.361 -179.401 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.488 ' HD3' ' CE2' ' A' ' 7' ' ' TRP . 0.7 OUTLIER -115.99 -63.4 1.46 Allowed 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -178.774 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 0.8 OUTLIER -32.92 143.76 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.87 0.367 . . . . 0.0 111.127 -178.269 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.5 m -45.17 140.88 2.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.913 -178.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.19 -24.4 4.21 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.213 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -49.78 -24.54 6.11 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.612 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 mt -94.49 135.3 36.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.653 0.263 . . . . 0.0 111.235 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.7 m -68.12 161.81 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.907 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.442 ' HA ' HH22 ' A' ' 13' ' ' ARG . 49.0 t -105.39 115.04 29.59 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.404 0.621 . . . . 0.0 112.345 -179.387 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 24' ' ' TRP . 1.5 mtt85 -170.39 99.03 0.26 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.151 -0.931 . . . . 0.0 108.964 178.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.0 mt 67.86 -62.01 0.36 Allowed 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -178.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.429 ' N ' ' O ' ' A' ' 22' ' ' ARG . 1.9 p90 -141.71 -173.82 3.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.652 178.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.448 ' SG ' ' CZ ' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -86.54 112.93 22.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.958 0.409 . . . . 0.0 111.102 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -124.7 130.21 51.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.446 ' CZ ' ' CD1' ' A' ' 5' ' ' TRP . 5.5 mpt_? . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.434 ' HB2' ' HA ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.539 0.209 . . . . 0.0 110.961 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 1' ' ' TYR . 4.6 t 178.01 134.2 0.07 Allowed 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.889 0.376 . . . . 0.0 111.363 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -105.14 -75.8 0.62 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.873 178.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.544 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 170.36 54.55 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.122 0.487 . . . . 0.0 111.204 179.028 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 49.4 t90 56.75 158.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.459 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.415 ' HG3' ' CD1' ' A' ' 24' ' ' TRP . 3.2 ttp 40.78 32.15 0.15 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.692 -0.686 . . . . 0.0 112.044 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.442 ' CD1' ' HG3' ' A' ' 13' ' ' ARG . 1.0 OUTLIER -84.79 145.16 28.02 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 120.794 0.33 . . . . 0.0 110.236 179.618 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.434 ' OG1' ' CZ3' ' A' ' 7' ' ' TRP . 0.2 OUTLIER -44.08 127.74 5.56 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.411 0.522 . . . . 0.0 112.411 -179.407 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.45 ' HA ' ' CD ' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -91.81 141.56 28.53 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.869 179.517 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -159.93 -171.99 3.46 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.759 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -49.84 -50.09 46.73 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 121.129 0.49 . . . . 0.0 110.081 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -131.45 99.05 4.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.067 178.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.45 ' CD ' ' HA ' ' A' ' 9' ' ' CYS . 0.4 OUTLIER -114.17 150.48 34.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.67 -178.867 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.434 ' HA ' ' HB2' ' A' ' 1' ' ' TYR . 35.6 mmtp -62.22 -114.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.747 178.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 60.62 135.89 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.943 0.402 . . . . 0.0 111.338 179.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 35.4 m -66.79 156.69 34.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.812 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.04 -20.69 26.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.773 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.87 46.47 3.11 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.6 -0.809 . . . . 0.0 112.947 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 50.8 mt -154.86 138.42 16.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.793 0.33 . . . . 0.0 111.069 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.3 p -82.49 160.55 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.32 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.7 t -113.54 114.44 26.51 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.198 0.523 . . . . 0.0 112.055 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.08 99.13 0.29 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.207 179.072 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.7 mt 69.88 -62.39 0.42 Allowed 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -178.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.415 ' CD1' ' HG3' ' A' ' 6' ' ' MET . 2.8 p90 -152.46 138.52 18.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.62 179.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.401 ' HB2' ' N ' ' A' ' 6' ' ' MET . 1.2 m -44.7 120.5 2.31 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.942 0.401 . . . . 0.0 111.676 -179.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -117.17 142.11 47.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.817 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.79 -170.04 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.935 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.454 HG21 HD13 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -149.16 138.83 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.2 mp -142.54 158.69 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.078 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -105.77 -35.53 7.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 10.2 mtp . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.247 -0.883 . . . . 0.0 110.895 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.515 ' O ' ' HB2' ' A' ' 2' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 111.173 0.064 . . . . 0.0 111.173 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.601 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 61.1 m 82.87 90.57 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.249 0.547 . . . . 0.0 111.015 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -85.19 149.95 25.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.342 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.59 127.89 19.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.613 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.476 ' O ' ' CB ' ' A' ' 6' ' ' MET . 0.1 OUTLIER -45.86 168.23 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.096 -179.641 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.476 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 3.8 ttp 88.09 -48.31 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.412 -179.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.409 ' HB3' ' CZ ' ' A' ' 13' ' ' ARG . 3.8 t90 -43.44 165.15 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -44.83 143.15 1.52 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.41 -0.813 . . . . 0.0 112.628 -179.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.477 ' HA ' ' CG ' ' A' ' 13' ' ' ARG . 4.4 t -126.68 137.22 53.25 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.164 179.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -144.35 -165.78 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.012 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.66 -30.81 14.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.999 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.23 99.69 3.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.477 ' CG ' ' HA ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -88.35 167.61 13.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.924 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.601 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 2.5 mptp? -92.42 -39.94 11.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.579 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.3 p -40.55 133.17 2.0 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.293 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 m -48.0 155.09 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.266 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -57.44 -20.65 31.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.494 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -53.04 -23.34 15.79 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.821 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.85 128.2 54.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.836 0.35 . . . . 0.0 111.079 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.4 m -58.58 -177.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.758 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.401 ' O ' ' HG3' ' A' ' 22' ' ' ARG . 1.6 t -140.9 118.91 11.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.168 0.509 . . . . 0.0 111.955 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.401 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 0.1 OUTLIER -168.84 99.32 0.39 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.272 -0.877 . . . . 0.0 109.298 179.204 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.417 HD11 ' CZ3' ' A' ' 24' ' ' TRP . 0.2 OUTLIER 72.93 -56.74 0.65 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -178.347 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.417 ' CZ3' HD11 ' A' ' 23' ' ' LEU . 1.4 p90 -144.66 120.04 10.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.558 178.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.424 ' HB2' ' NH2' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -41.91 99.76 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.978 0.418 . . . . 0.0 111.649 -179.106 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -88.63 137.8 31.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.998 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.46 149.53 33.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.452 HG23 HD12 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -49.32 135.79 6.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.454 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 26.1 mm -101.65 158.95 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -146.08 -57.16 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.958 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 7.0 ttt . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.304 -0.855 . . . . 0.0 110.878 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.415 ' CZ ' ' HA ' ' A' ' 14' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.83 0.348 . . . . 0.0 111.148 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.458 ' HA ' ' CA ' ' A' ' 15' ' ' CYS . 3.8 m 64.73 110.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.991 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.435 ' HB2' ' CD1' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -58.84 -81.07 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.647 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.563 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 172.89 59.18 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.177 0.513 . . . . 0.0 110.624 179.464 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 56.26 161.79 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.394 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.525 ' N ' ' HB2' ' A' ' 25' ' ' CYS . 17.9 mtp 37.05 30.17 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.698 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.515 ' CZ3' ' CG2' ' A' ' 8' ' ' THR . 0.0 OUTLIER -88.17 123.96 33.34 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.856 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.515 ' CG2' ' CZ3' ' A' ' 7' ' ' TRP . 12.2 t -47.13 139.5 5.9 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.473 ' N ' ' NH1' ' A' ' 13' ' ' ARG . 11.9 t -78.11 157.29 29.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.233 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.6 p-10 -157.05 -162.25 1.2 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.619 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -49.9 -27.87 5.83 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.975 0.416 . . . . 0.0 110.392 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -155.62 99.68 2.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.368 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.591 ' CD ' ' HB2' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -68.38 99.66 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.183 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.415 ' HA ' ' CZ ' ' A' ' 1' ' ' TYR . 2.9 mptp? -53.98 -30.28 46.43 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.363 -179.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.591 ' HB2' ' CD ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -34.27 150.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.87 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 m -68.72 157.44 36.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.547 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 pm0 -55.34 -21.16 13.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.775 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.45 -21.67 28.23 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.822 -0.704 . . . . 0.0 113.214 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.476 ' CB ' ' HB3' ' A' ' 25' ' ' CYS . 0.7 OUTLIER -119.94 165.99 13.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.895 0.379 . . . . 0.0 111.499 -179.498 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.8 m -109.99 179.87 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.88 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.2 t -106.39 107.62 18.73 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-O 121.316 0.579 . . . . 0.0 111.878 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.6 mtm-85 -170.39 98.34 0.26 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.328 -0.851 . . . . 0.0 108.889 178.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 67.12 -61.2 0.35 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.46 -178.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 3.3 p90 -155.02 147.48 24.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.959 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.525 ' HB2' ' N ' ' A' ' 6' ' ' MET . 29.1 m -42.65 116.53 0.88 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.851 0.358 . . . . 0.0 111.571 -179.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -123.92 108.85 12.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.94 -174.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.8 pp -130.53 136.38 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.0 mm -98.37 158.75 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.155 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -165.03 82.99 0.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.6 ptt? . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.834 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.445 ' CD1' ' HG3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.49 0 CA-C-O 120.67 0.271 . . . . 0.0 111.003 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.49 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 44.7 t 60.99 125.06 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.222 0.534 . . . . 0.0 111.495 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.413 ' OE1' ' CD1' ' A' ' 7' ' ' TRP . 0.9 OUTLIER -91.32 -173.49 3.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.105 179.119 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.43 ' HA ' ' HE2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -97.23 74.59 2.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.035 0.445 . . . . 0.0 111.741 -179.386 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.485 ' CD1' HD21 ' A' ' 19' ' ' LEU . 1.2 m-90 53.67 172.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.175 178.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.527 ' N ' ' HB2' ' A' ' 25' ' ' CYS . 23.0 mtp 31.48 38.57 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 114.917 -1.038 . . . . 0.0 112.941 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.453 ' CZ3' ' OG1' ' A' ' 8' ' ' THR . 0.8 OUTLIER -90.51 142.34 27.84 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.792 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.453 ' OG1' ' CZ3' ' A' ' 7' ' ' TRP . 0.2 OUTLIER -40.19 120.4 1.19 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.895 0.379 . . . . 0.0 111.998 -179.456 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.418 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -100.85 153.82 19.16 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.686 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -168.8 -159.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.404 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -50.06 -27.21 5.25 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.859 0.362 . . . . 0.0 110.81 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -164.06 111.62 1.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.656 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.469 ' HD3' ' HB2' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -113.27 144.2 43.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.055 0.455 . . . . 0.0 111.012 179.9 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.49 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 3.6 mptt -61.69 -27.43 68.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.308 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.469 ' HB2' ' HD3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -33.69 150.7 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.17 -179.624 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.9 m -65.12 168.61 6.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.807 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -77.98 -2.29 36.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.857 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -95.73 28.51 12.19 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.481 -0.866 . . . . 0.0 112.676 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.485 HD21 ' CD1' ' A' ' 5' ' ' TRP . 16.3 mt -142.8 136.29 28.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.902 0.382 . . . . 0.0 111.396 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.6 t -77.24 137.68 21.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.498 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.443 ' HA ' ' NH2' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -86.21 106.88 17.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.99 0.424 . . . . 0.0 111.915 -179.239 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.41 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -170.12 99.15 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.801 179.078 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 68.92 -60.75 0.44 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.651 -179.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.418 ' CD1' ' HE1' ' A' ' 6' ' ' MET . 3.5 p90 -151.34 146.54 26.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.224 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.527 ' HB2' ' N ' ' A' ' 6' ' ' MET . 12.5 m -58.27 117.41 4.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.0 0.428 . . . . 0.0 111.14 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.412 ' HG2' ' CD1' ' A' ' 24' ' ' TRP . 49.1 mtmt -113.52 145.6 40.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.416 ' HG3' ' CD1' ' A' ' 5' ' ' TRP . 0.4 OUTLIER -58.84 129.63 43.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.44 ' CG2' ' N ' ' A' ' 29' ' ' ILE . 4.0 mm -45.22 156.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.641 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.44 ' N ' ' CG2' ' A' ' 28' ' ' ILE . 2.8 pp -50.86 147.3 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.644 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -175.95 37.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.5 mtm . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.847 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.468 ' CD1' ' HG3' ' A' ' 14' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.693 0.282 . . . . 0.0 111.132 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.4 t 58.16 123.67 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.344 0.592 . . . . 0.0 111.782 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.446 ' O ' ' HB2' ' A' ' 4' ' ' LYS . 0.6 OUTLIER -106.72 -80.45 0.56 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.23 178.739 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.595 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 178.2 36.61 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.591 178.291 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.45 ' C ' ' H ' ' A' ' 7' ' ' TRP . 30.8 t90 59.09 150.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.999 0.428 . . . . 0.0 111.214 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.467 ' O ' ' HB2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 66.45 -35.43 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 179.523 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.45 ' H ' ' C ' ' A' ' 5' ' ' TRP . 2.3 t90 -39.68 157.94 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.326 0.584 . . . . 0.0 112.456 -179.021 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.432 ' N ' ' CE3' ' A' ' 7' ' ' TRP . 0.2 OUTLIER -40.95 142.28 0.5 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.318 -0.856 . . . . 0.0 112.985 -178.797 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -123.15 124.9 44.1 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.497 179.346 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -136.52 -165.86 1.8 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.814 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.84 -27.3 7.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.958 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.89 99.81 1.24 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.788 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.463 ' CD ' ' HB2' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -113.46 -179.38 3.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.801 179.789 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.468 ' HG3' ' CD1' ' A' ' 1' ' ' TYR . 1.3 mptp? -80.51 -107.9 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.929 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.463 ' HB2' ' CD ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 59.5 125.64 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.917 0.389 . . . . 0.0 111.325 179.808 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.2 m -51.33 156.75 1.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.018 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -53.74 -23.12 10.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.795 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.83 47.27 2.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.84 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.5 mt -155.97 136.34 13.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.796 0.332 . . . . 0.0 111.312 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.8 m -82.47 169.96 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.247 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.2 t -131.02 122.83 27.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.404 0.621 . . . . 0.0 112.372 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 10.3 mtt180 -170.35 99.24 0.27 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.234 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.9 mt 68.51 -61.39 0.41 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.018 0.437 . . . . 0.0 109.929 -178.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.467 ' HB2' ' O ' ' A' ' 6' ' ' MET . 0.3 OUTLIER -146.97 126.42 13.19 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.828 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -40.23 144.96 0.18 Allowed 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.97 0.414 . . . . 0.0 111.754 -178.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -132.2 144.26 50.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.823 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.75 -173.92 3.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.6 pp -137.56 125.95 32.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.123 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.6 mm -107.6 124.03 63.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 61.16 112.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.7 mtt . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.937 179.957 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.1 t80 . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.745 0.307 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 28.0 m 68.19 101.43 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.994 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -86.47 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.709 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.464 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -179.66 58.05 0.01 OUTLIER 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.803 0.335 . . . . 0.0 111.689 179.576 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.444 ' CE2' ' CG ' ' A' ' 6' ' ' MET . 33.1 t90 58.26 158.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.159 0.504 . . . . 0.0 111.788 178.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.529 ' N ' ' HB2' ' A' ' 25' ' ' CYS . 3.1 mmt 38.64 39.65 0.34 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.153 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.464 ' CZ3' ' OG1' ' A' ' 8' ' ' THR . 1.1 t-105 -93.1 153.23 18.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.8 0.333 . . . . 0.0 110.229 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.464 ' OG1' ' CZ3' ' A' ' 7' ' ' TRP . 0.2 OUTLIER -48.56 112.7 0.63 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.145 179.708 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -109.93 125.46 52.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.973 -179.83 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 2.0 m-20 155.32 -86.35 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.948 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -65.94 -50.11 65.56 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.943 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -135.32 99.42 4.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.094 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.421 ' NE ' ' HB2' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -92.67 123.21 35.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.348 179.552 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.46 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 0.4 OUTLIER -114.05 -50.83 2.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.746 -179.045 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.472 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 20.3 p -36.65 141.48 0.12 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.294 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.5 m -47.1 142.55 3.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.42 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -52.56 -23.52 6.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.848 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.73 -20.14 23.85 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.845 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.5 mt -97.78 141.63 30.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.893 0.378 . . . . 0.0 111.212 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.2 t -66.07 161.8 3.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.183 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.6 t -114.86 103.13 10.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.946 0.403 . . . . 0.0 111.584 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -170.26 99.37 0.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.855 179.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.5 mt 69.31 -61.12 0.44 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.925 0.393 . . . . 0.0 110.266 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -145.01 134.6 23.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.873 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.529 ' HB2' ' N ' ' A' ' 6' ' ' MET . 35.4 m -45.97 111.29 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.011 0.434 . . . . 0.0 111.568 -179.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.3 mtmm -124.74 143.34 50.83 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.041 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.422 ' HD2' ' CD1' ' A' ' 5' ' ' TRP . 0.2 OUTLIER -82.29 140.7 33.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.89 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.4 ' O ' ' CD1' ' A' ' 29' ' ' ILE . 2.1 mm -64.01 99.91 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.916 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.409 HG12 ' O ' ' A' ' 27' ' ' ARG . 7.7 mm -131.38 159.92 42.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.043 178.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 60.67 80.02 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.4 ptt? . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.872 179.946 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.772 0.32 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 3' ' ' GLN . 11.4 t 60.05 36.61 21.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 2' ' ' CYS . 6.0 mm100 -26.91 -71.33 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.832 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.5 146.84 0.08 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.796 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.42 ' CZ2' ' HG3' ' A' ' 6' ' ' MET . 7.4 t90 -45.66 145.84 1.25 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.44 ' HA ' ' HB2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 68.13 46.78 1.11 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.294 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.475 ' H ' ' HB2' ' A' ' 25' ' ' CYS . 1.5 t-105 -104.87 154.18 20.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.904 0.383 . . . . 0.0 110.721 179.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.466 ' N ' ' CD2' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -55.9 108.71 0.48 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.946 179.7 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.4 t -85.94 136.73 33.16 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 179.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -171.35 -161.0 0.19 Allowed 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.553 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -49.53 -31.49 10.39 Favored 'General case' 0 CA--C 1.522 -0.112 0 CA-C-O 120.987 0.423 . . . . 0.0 110.197 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -129.64 98.45 4.83 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.232 178.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.471 ' NH2' ' HA ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -89.32 156.73 18.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.986 -179.852 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.425 ' HE2' ' CZ2' ' A' ' 7' ' ' TRP . 8.9 mptt -116.56 -61.19 1.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.445 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.0 p -39.15 152.06 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.21 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.6 m -53.72 135.23 41.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.164 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -54.06 -24.46 17.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.649 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.87 -20.34 40.37 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.599 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.6 mt -92.76 132.46 36.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.706 0.288 . . . . 0.0 111.177 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.9 p -56.3 161.83 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.189 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.471 ' HA ' ' NH2' ' A' ' 13' ' ' ARG . 11.5 t -116.62 116.53 27.74 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.292 0.568 . . . . 0.0 112.225 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -170.2 98.19 0.27 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.006 -0.997 . . . . 0.0 108.777 178.123 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.416 HD12 ' CE3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER 66.24 -60.86 0.3 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.907 0.384 . . . . 0.0 110.229 -178.758 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.479 ' N ' ' O ' ' A' ' 22' ' ' ARG . 2.8 p90 -141.35 134.57 29.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.014 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.475 ' HB2' ' H ' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -42.37 130.81 3.8 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.865 0.364 . . . . 0.0 111.428 -179.236 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.7 ttpt -134.78 160.6 37.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.43 178.92 6.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.8 pp -157.05 136.38 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.5 mp -145.5 158.62 12.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -158.66 79.6 0.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.2 ptt? . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.234 -0.888 . . . . 0.0 110.93 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.6 t80 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.879 0.371 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.49 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 52.7 t 62.7 90.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.415 0.626 . . . . 0.0 111.032 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.07 -162.73 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.352 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.473 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -110.51 65.61 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.025 0.441 . . . . 0.0 111.651 -179.524 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.471 ' CG ' ' N ' ' A' ' 6' ' ' MET . 43.1 t90 55.91 163.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.521 178.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.471 ' N ' ' CG ' ' A' ' 5' ' ' TRP . 6.4 ptt? 47.7 38.01 7.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.58 -0.737 . . . . 0.0 112.142 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.491 ' CD1' ' HD3' ' A' ' 13' ' ' ARG . 1.7 t-105 -96.22 152.06 18.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.837 0.351 . . . . 0.0 110.478 179.238 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.436 ' OG1' ' CZ3' ' A' ' 7' ' ' TRP . 0.2 OUTLIER -53.11 124.81 15.42 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.129 -179.683 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.439 ' HA ' ' CD ' ' A' ' 13' ' ' ARG . 1.7 t -96.53 138.1 34.61 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.226 179.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.1 p-10 -163.78 -166.33 1.17 Allowed 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.46 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -49.57 -38.14 30.16 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 121.012 0.434 . . . . 0.0 110.207 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -128.88 98.5 4.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.149 178.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.491 ' HD3' ' CD1' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -83.38 168.94 16.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.435 -179.575 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.477 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 9.2 mptt -117.78 -53.75 2.38 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.611 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.49 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 24.7 p -44.83 166.59 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.142 0.496 . . . . 0.0 111.263 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 68.6 m -69.1 141.39 54.71 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.156 -178.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -50.09 -25.02 3.06 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.977 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.63 -18.94 25.69 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.848 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.5 mt -98.61 126.04 44.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.803 0.335 . . . . 0.0 111.325 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.2 p -58.12 159.74 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.457 ' HA ' ' NH2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -106.97 107.59 18.69 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.03 0.443 . . . . 0.0 112.008 -179.518 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.409 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -170.02 98.95 0.29 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.548 178.927 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.9 mt 68.04 -60.39 0.41 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.771 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 31.8 p90 -144.25 148.0 34.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.359 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.424 ' SG ' ' NE ' ' A' ' 13' ' ' ARG . 17.4 m -55.44 121.53 9.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.877 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 ttmm -115.57 145.76 42.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.013 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.66 -177.96 3.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.1 pp -118.76 152.66 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.6 mp -70.2 138.71 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.068 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -104.73 31.79 4.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.6 ttp . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.184 -0.913 . . . . 0.0 110.944 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.6 t80 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.775 0.321 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.49 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 38.1 m 63.3 98.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.2 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.98 157.15 19.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.398 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.407 ' CE ' ' HA ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -76.15 62.89 1.77 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.516 -179.403 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.465 ' CG ' ' N ' ' A' ' 6' ' ' MET . 53.5 t90 57.03 164.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.231 0.539 . . . . 0.0 111.355 179.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.465 ' N ' ' CG ' ' A' ' 5' ' ' TRP . 13.5 ttt 54.32 33.44 18.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.827 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.516 ' CH2' ' CG2' ' A' ' 8' ' ' THR . 1.2 t-105 -98.11 143.87 28.19 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.516 ' CG2' ' CH2' ' A' ' 7' ' ' TRP . 0.7 OUTLIER -51.83 151.98 3.19 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.022 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -105.93 143.24 34.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.52 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -161.11 -167.47 1.81 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.82 0.343 . . . . 0.0 110.963 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.4 -33.17 42.45 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.295 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -142.44 99.53 3.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.323 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.472 ' HD2' ' CD1' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -88.21 122.59 31.92 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.646 -179.646 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.49 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 0.3 OUTLIER -54.53 -41.53 69.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.397 -179.687 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.421 ' CA ' ' HA ' ' A' ' 2' ' ' CYS . 0.0 OUTLIER -36.81 142.31 0.1 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.775 -179.591 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 m -64.63 154.43 36.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -57.97 -20.91 41.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.469 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.56 -20.2 37.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.931 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.6 mt -110.35 159.0 17.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.732 0.301 . . . . 0.0 111.154 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.4 t -93.47 155.07 3.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.148 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.449 ' HB2' ' NH1' ' A' ' 13' ' ' ARG . 50.8 t -103.32 119.25 38.52 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.119 0.485 . . . . 0.0 111.975 -179.671 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -169.94 99.05 0.3 Allowed 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.467 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.6 mt 69.1 -61.63 0.42 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.986 0.422 . . . . 0.0 110.141 -178.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.8 p90 -147.62 152.81 38.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.009 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.454 ' HB3' ' N ' ' A' ' 6' ' ' MET . 1.8 t -53.76 108.67 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.844 0.354 . . . . 0.0 110.762 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.42 170.03 8.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.432 ' CD ' ' N ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -146.24 112.24 5.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.083 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.6 mm -57.17 129.48 18.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.028 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 9.8 mm -130.63 139.81 50.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.139 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -123.87 -48.66 1.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 7.2 ptp . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.907 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.747 0.308 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.461 ' HA ' ' CA ' ' A' ' 15' ' ' CYS . 48.1 t 62.17 120.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.132 0.491 . . . . 0.0 111.148 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.35 -77.35 0.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.813 179.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.534 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 167.61 52.61 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.608 179.044 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.425 ' CD1' ' HD3' ' A' ' 27' ' ' ARG . 42.2 t90 60.9 151.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.244 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.416 ' HG3' ' CH2' ' A' ' 5' ' ' TRP . 0.3 OUTLIER 54.87 38.67 30.72 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.358 179.237 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.423 ' HD1' ' NH1' ' A' ' 13' ' ' ARG . 1.5 t-105 -101.91 149.18 24.47 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.921 0.391 . . . . 0.0 110.189 178.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.411 ' OG1' ' CZ3' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -53.22 125.92 19.21 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -179.011 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 m -76.12 155.04 35.04 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 -158.65 -174.54 4.83 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.474 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -49.67 -37.79 30.0 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 121.383 0.611 . . . . 0.0 109.536 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -130.19 98.53 4.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.127 178.07 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.599 ' NH1' ' HB2' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -76.06 149.66 37.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.469 -179.036 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.21 -94.05 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.815 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.599 ' HB2' ' NH1' ' A' ' 13' ' ' ARG . 0.8 OUTLIER 45.66 -172.19 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.062 0.458 . . . . 0.0 111.225 -179.658 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.4 m -104.01 166.89 10.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.431 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -55.6 -18.7 8.23 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -178.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -102.59 53.49 0.77 Allowed Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.187 -1.006 . . . . 0.0 113.872 -178.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.6 mt -157.64 165.11 36.35 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 117.204 0.502 . . . . 0.0 111.485 179.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 13.3 p -118.32 163.53 15.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.062 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.468 ' CB ' ' HD2' ' A' ' 13' ' ' ARG . 42.4 t -107.21 114.89 29.22 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -179.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -170.26 98.47 0.27 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.044 178.33 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 66.15 -61.67 0.28 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.181 0.515 . . . . 0.0 109.859 -178.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.493 ' N ' ' O ' ' A' ' 22' ' ' ARG . 3.9 p90 -151.61 140.86 21.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.296 178.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -44.91 126.29 5.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.926 0.393 . . . . 0.0 111.614 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -138.21 133.56 33.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.858 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.425 ' HD3' ' CD1' ' A' ' 5' ' ' TRP . 0.1 OUTLIER -64.87 152.65 42.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.5 pp -138.64 125.24 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.5 mp -145.64 99.96 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 59.69 31.4 20.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 11.0 t80 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.865 0.364 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.6 t 65.75 129.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.133 0.492 . . . . 0.0 111.038 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -106.45 -75.97 0.62 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.474 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.427 ' O ' ' HB3' ' A' ' 7' ' ' TRP . 0.0 OUTLIER 173.48 150.83 0.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.486 179.775 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.441 ' CG ' ' N ' ' A' ' 6' ' ' MET . 52.8 t90 -38.8 159.48 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.246 0.546 . . . . 0.0 111.978 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.441 ' N ' ' CG ' ' A' ' 5' ' ' TRP . 1.9 ptt? 50.4 21.84 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.211 -0.904 . . . . 0.0 112.475 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.605 ' CE2' ' O ' ' A' ' 8' ' ' THR . 0.7 OUTLIER -74.51 134.9 42.2 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.577 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.605 ' O ' ' CE2' ' A' ' 7' ' ' TRP . 14.6 t -58.54 137.3 57.5 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.183 0.516 . . . . 0.0 112.379 -178.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.54 ' HB3' ' HD2' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -126.4 160.9 29.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.608 -179.742 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -172.99 -86.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.071 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -93.89 -47.71 6.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.92 0.39 . . . . 0.0 110.59 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -137.79 99.48 3.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.304 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.54 ' HD2' ' HB3' ' A' ' 9' ' ' CYS . 2.1 ttt-85 -102.16 115.4 30.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.381 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -55.17 -98.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.504 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 49.54 -177.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.0 m -107.58 173.67 6.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.082 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -69.83 -8.27 47.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.155 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -92.44 25.13 19.61 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.947 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.408 ' CD1' ' SG ' ' A' ' 25' ' ' CYS . 21.6 mt -147.67 176.98 9.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.603 0.239 . . . . 0.0 110.879 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -126.02 176.36 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-O 120.781 0.324 . . . . 0.0 111.631 -179.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.433 ' HB2' ' HD3' ' A' ' 13' ' ' ARG . 6.2 t -113.81 109.23 18.21 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.073 0.463 . . . . 0.0 111.49 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 24' ' ' TRP . 8.4 mtm-85 -170.25 98.6 0.27 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.172 178.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.415 HD11 ' CE3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER 67.51 -61.22 0.36 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.933 0.397 . . . . 0.0 110.027 -178.669 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.441 ' N ' ' O ' ' A' ' 22' ' ' ARG . 3.7 p90 -148.81 143.68 26.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.93 179.23 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.526 ' HB2' ' H ' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -44.13 108.64 0.12 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.936 0.398 . . . . 0.0 111.342 -179.58 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -87.94 148.81 24.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.042 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.99 -173.06 2.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.7 pp -119.38 139.47 46.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.5 mt -94.9 115.8 34.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 60.01 81.46 0.18 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 12.2 mmt . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.186 -0.912 . . . . 0.0 110.873 179.954 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.7 t80 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.798 0.332 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.9 t 66.26 131.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -116.28 -73.96 0.63 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.315 179.864 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.441 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 171.68 137.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.647 179.54 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.445 ' HA ' ' HB3' ' A' ' 25' ' ' CYS . 84.4 t90 -51.6 145.89 8.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.212 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.442 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 0.0 OUTLIER 85.33 -42.2 0.06 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.218 179.31 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.549 ' HB3' HH21 ' A' ' 13' ' ' ARG . 1.9 t90 -42.64 162.72 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -178.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.406 ' N ' ' CE3' ' A' ' 7' ' ' TRP . 0.2 OUTLIER -48.34 143.1 4.97 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 114.933 -1.031 . . . . 0.0 113.644 -178.792 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.568 ' HA ' ' HD2' ' A' ' 13' ' ' ARG . 8.6 t -127.12 136.41 52.09 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.485 178.062 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -148.85 -159.22 1.01 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.475 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -49.7 -49.53 47.34 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.08 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -131.98 98.69 4.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.049 0.452 . . . . 0.0 111.132 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.568 ' HD2' ' HA ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -96.94 169.15 10.03 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.986 179.763 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 3' ' ' GLN . 14.9 mmtp -122.77 62.06 0.99 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.393 179.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.492 ' HB3' ' HB2' ' A' ' 19' ' ' LEU . 21.7 m -82.15 165.94 20.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.283 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -70.83 175.19 5.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.859 0.361 . . . . 0.0 110.7 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -63.43 -14.68 53.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.092 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -125.79 59.56 0.65 Allowed Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.336 -0.935 . . . . 0.0 113.145 -179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.492 ' HB2' ' HB3' ' A' ' 15' ' ' CYS . 78.8 mt -156.3 145.18 20.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 0.0 111.114 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.8 t -100.57 164.54 2.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.56 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.6 t -117.57 118.54 32.43 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.321 0.582 . . . . 0.0 112.083 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -170.0 99.13 0.29 Allowed 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.148 -0.933 . . . . 0.0 108.962 178.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 mt 69.74 -56.81 0.56 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.003 0.43 . . . . 0.0 109.848 -178.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -139.63 143.01 37.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.697 178.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.445 ' HB3' ' HA ' ' A' ' 5' ' ' TRP . 7.9 t -46.56 103.62 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 110.916 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.0 ttpt -61.97 167.86 3.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.112 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -102.38 -178.1 3.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.7 pp -51.51 179.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.411 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -114.07 174.59 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.0 p30 45.6 -168.91 0.01 OUTLIER 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.407 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 14' ' ' LYS . 1.7 t80 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.851 0.358 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.426 ' HA ' ' CA ' ' A' ' 15' ' ' CYS . 3.7 m 66.13 101.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.458 ' HG3' ' CD2' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -49.96 -77.67 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.537 179.761 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.599 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 167.24 51.68 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.185 0.517 . . . . 0.0 111.257 178.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.413 ' CE2' ' HG3' ' A' ' 6' ' ' MET . 36.3 t90 56.92 155.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.194 178.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.421 ' HG2' ' CD1' ' A' ' 24' ' ' TRP . 11.7 mtt 39.85 28.64 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.034 -0.985 . . . . 0.0 113.349 179.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.532 ' CZ3' ' CG2' ' A' ' 8' ' ' THR . 2.8 p-90 -87.43 172.54 9.73 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.151 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.532 ' CG2' ' CZ3' ' A' ' 7' ' ' TRP . 7.5 t -71.71 130.28 40.76 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -177.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.463 ' HB2' ' NH2' ' A' ' 13' ' ' ARG . 36.8 t -78.89 147.66 33.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.665 -1.152 . . . . 0.0 110.701 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.8 p-10 -152.7 -171.13 3.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.041 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -49.91 -33.17 16.53 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.962 0.41 . . . . 0.0 110.536 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -142.15 99.37 3.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.308 179.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.566 ' CD ' ' HB2' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -77.48 111.74 13.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.107 -179.586 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 2.0 mptp? -57.66 -23.87 53.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.963 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.566 ' HB2' ' CD ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -33.93 152.4 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.928 179.888 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 m -68.54 -179.69 1.44 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.487 179.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -79.95 5.33 14.23 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -106.93 28.06 14.27 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.376 -0.916 . . . . 0.0 113.263 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.8 mt -147.03 167.18 24.68 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.982 0.391 . . . . 0.0 111.396 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.6 t -114.42 165.09 9.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.211 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.489 ' SG ' ' HG3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -107.53 108.72 20.15 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.071 0.462 . . . . 0.0 112.001 -179.586 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.0 mtm180 -170.24 98.75 0.27 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.299 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mm? 67.21 -61.07 0.35 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.369 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.456 ' HA ' ' O ' ' A' ' 7' ' ' TRP . 2.7 p90 -149.34 141.39 23.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.982 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.473 ' N ' ' NH2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -52.07 115.99 1.98 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.96 0.409 . . . . 0.0 111.443 -179.249 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.7 mtmm -117.39 145.32 44.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.43 -178.54 3.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -108.39 142.23 21.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 23.8 mm -104.07 159.18 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -72.44 -48.47 40.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.956 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.313 -0.851 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.427 ' CD1' ' HG3' ' A' ' 14' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 120.786 0.327 . . . . 0.0 110.997 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.426 ' N ' ' O ' ' A' ' 14' ' ' LYS . 50.4 t 63.44 134.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.983 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.428 ' CG ' ' N ' ' A' ' 4' ' ' LYS . 1.9 tt0 -91.42 -81.69 0.32 Allowed 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.026 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.553 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 178.53 60.66 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.014 0.435 . . . . 0.0 111.554 179.387 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.488 ' CE2' ' CD2' ' A' ' 19' ' ' LEU . 0.4 OUTLIER 58.41 152.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.099 178.763 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.472 ' HA ' ' N ' ' A' ' 25' ' ' CYS . 23.4 mtm 47.47 20.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.25 -0.887 . . . . 0.0 113.163 179.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.511 ' CH2' ' CG2' ' A' ' 8' ' ' THR . 0.4 OUTLIER -74.44 150.79 39.79 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.322 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.511 ' CG2' ' CH2' ' A' ' 7' ' ' TRP . 0.7 OUTLIER -54.29 143.93 21.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.277 0.56 . . . . 0.0 112.179 -178.754 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 6.5 t -99.25 147.83 24.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.242 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -156.17 -164.26 1.65 Allowed 'General case' 0 C--O 1.232 0.166 0 C-N-CA 120.949 -0.301 . . . . 0.0 111.267 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -49.74 -46.8 50.81 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 121.061 0.458 . . . . 0.0 110.3 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -126.23 98.75 5.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.99 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.553 ' HG2' HH11 ' A' ' 13' ' ' ARG . 0.0 OUTLIER -75.17 99.94 4.13 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.871 -179.208 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.427 ' HG3' ' CD1' ' A' ' 1' ' ' TYR . 0.0 OUTLIER -59.96 -24.09 64.12 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.073 0.463 . . . . 0.0 110.089 178.704 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.52 ' CB ' ' HD3' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -36.56 161.27 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.18 -0.918 . . . . 0.0 112.106 179.539 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.5 m -60.98 155.4 20.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.613 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -68.93 -11.71 60.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.849 -179.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -100.01 43.27 1.81 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.93 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.488 ' CD2' ' CE2' ' A' ' 5' ' ' TRP . 19.5 mt -146.7 162.17 39.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.788 0.327 . . . . 0.0 111.115 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 18.8 t -100.11 160.08 3.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.261 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.91 102.19 11.22 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.137 0.494 . . . . 0.0 111.82 -179.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 27.7 mtm-85 -170.26 99.13 0.27 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.565 179.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.4 mt 69.41 -61.64 0.43 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.974 0.416 . . . . 0.0 110.11 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.3 p90 -149.19 151.52 34.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.988 179.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.49 ' N ' ' NH2' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -56.79 101.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.989 0.423 . . . . 0.0 111.142 -179.494 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -97.81 137.8 36.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.942 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.8 178.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.1 pp -150.17 99.96 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.089 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 24.5 mm -102.98 159.07 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -104.17 -34.83 8.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 9.2 tpt . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.907 179.949 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.424 ' CD1' ' HG3' ' A' ' 14' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.488 1.471 0 CA-C-O 120.818 0.342 . . . . 0.0 110.953 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.459 ' HA ' ' N ' ' A' ' 16' ' ' CYS . 38.5 t 63.21 125.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -101.63 -72.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.467 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.411 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 177.42 134.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.611 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.427 ' CD1' ' HA ' ' A' ' 26' ' ' LYS . 8.0 t90 -53.82 147.98 10.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.425 ' HB2' ' CE3' ' A' ' 5' ' ' TRP . 2.8 ttt 83.37 -45.71 0.12 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.736 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.465 ' HB3' ' NH2' ' A' ' 13' ' ' ARG . 3.3 t90 -40.04 161.12 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -179.3 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.406 ' OG1' ' CZ3' ' A' ' 7' ' ' TRP . 0.2 OUTLIER -41.03 140.39 0.76 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.318 -0.856 . . . . 0.0 112.421 -179.434 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.473 ' HA ' ' CD ' ' A' ' 13' ' ' ARG . 1.8 t -121.4 152.02 39.52 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.796 179.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -148.91 -162.69 1.61 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.284 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -50.51 -41.23 53.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.975 0.417 . . . . 0.0 110.624 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -170.2 99.88 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.577 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.473 ' CD ' ' HA ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -95.66 -175.78 3.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.829 0.347 . . . . 0.0 111.209 -179.864 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 15' ' ' CYS . 8.6 mptt -68.99 -24.56 64.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.132 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.465 ' H ' ' HG3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -25.61 121.34 0.07 Allowed 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.372 0.42 . . . . 0.0 112.11 -179.399 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.459 ' N ' ' HA ' ' A' ' 2' ' ' CYS . 0.1 OUTLIER -44.4 151.58 0.25 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.084 -179.68 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -51.74 -24.75 6.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.795 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.53 48.41 3.34 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.71 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.1 mt -156.64 139.52 15.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.831 0.348 . . . . 0.0 111.219 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.3 p -88.21 160.38 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.076 179.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.3 t -124.83 118.23 25.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.417 0.627 . . . . 0.0 112.242 -179.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 24' ' ' TRP . 9.1 mtm180 -170.1 99.11 0.28 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.102 -0.954 . . . . 0.0 108.865 178.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 mt 68.04 -62.05 0.36 Allowed 'General case' 0 N--CA 1.463 0.175 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -178.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.425 ' N ' ' O ' ' A' ' 22' ' ' ARG . 0.9 OUTLIER -137.99 124.76 21.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.454 178.798 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -44.01 133.41 5.08 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.916 0.388 . . . . 0.0 111.538 -179.223 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.427 ' HA ' ' CD1' ' A' ' 5' ' ' TRP . 35.1 mtpt -126.79 170.53 12.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.416 ' HD2' ' CD1' ' A' ' 5' ' ' TRP . 0.0 OUTLIER -123.38 168.26 12.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.907 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.2 mm -41.68 149.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 121.166 0.508 . . . . 0.0 112.072 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.3 mp -140.95 115.68 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.17 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -141.85 161.23 38.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 7.8 ttt . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.934 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.441 ' CZ ' ' HG2' ' A' ' 14' ' ' LYS . 1.5 p90 . . . . . 0 N--CA 1.488 1.473 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.473 ' HB2' ' CA ' ' A' ' 16' ' ' CYS . 36.7 t 63.07 127.68 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.116 0.484 . . . . 0.0 111.061 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -82.16 -80.96 0.15 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.107 179.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.515 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 175.19 63.65 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.18 0.514 . . . . 0.0 110.94 179.214 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.415 ' CE3' ' HG2' ' A' ' 6' ' ' MET . 32.2 t90 59.7 152.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.363 179.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.425 ' HA ' ' N ' ' A' ' 25' ' ' CYS . 3.3 ptt? 39.83 68.43 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.787 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.5 ' CD1' ' HG3' ' A' ' 13' ' ' ARG . 0.6 OUTLIER -118.73 152.62 35.81 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 178.173 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.452 ' O ' ' CE2' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -52.12 114.45 1.33 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.807 0.337 . . . . 0.0 111.815 -179.676 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.9 t -91.78 135.73 33.69 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.225 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -161.69 -164.82 1.16 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.023 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -49.9 -36.64 28.14 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.892 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -138.32 99.42 3.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.691 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.5 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -105.83 157.02 17.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.635 -179.874 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.441 ' HG2' ' CZ ' ' A' ' 1' ' ' TYR . 2.2 mptt -92.37 -32.66 14.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.259 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.436 ' HB2' ' CD ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -30.56 146.93 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.125 -179.656 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.473 ' CA ' ' HB2' ' A' ' 2' ' ' CYS . 0.1 OUTLIER -70.92 160.74 32.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.837 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -64.77 -13.49 55.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.151 -179.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.67 39.92 3.08 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.466 -0.874 . . . . 0.0 112.84 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 25.1 mt -151.97 154.25 35.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 0.0 110.971 -179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.6 t -88.9 153.8 3.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.944 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.45 107.63 18.74 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.113 0.483 . . . . 0.0 111.817 -179.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.445 ' O ' ' HB2' ' A' ' 23' ' ' LEU . 1.4 ttt-85 -170.03 99.36 0.29 Allowed 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.556 179.218 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.445 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 3.0 mm? 67.84 -60.99 0.39 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.308 -178.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.418 ' CD1' ' O ' ' A' ' 24' ' ' TRP . 6.1 p90 -154.78 138.89 16.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.876 179.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.441 ' SG ' ' CZ ' ' A' ' 13' ' ' ARG . 1.2 m -41.42 127.9 3.02 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.907 0.384 . . . . 0.0 111.678 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -113.52 149.03 34.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.825 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.44 -178.74 3.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.424 ' N ' ' CD1' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -140.27 138.78 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.7 mp -111.33 135.74 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.11 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 62.81 -79.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.075 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 9.7 ttm . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.219 -0.895 . . . . 0.0 110.946 179.938 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.49 ' CE2' ' CG ' ' A' ' 14' ' ' LYS . 1.5 p90 . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.2 t 62.42 135.18 0.01 OUTLIER 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 120.907 0.384 . . . . 0.0 111.485 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.467 ' O ' ' CB ' ' A' ' 4' ' ' LYS . 0.7 OUTLIER -70.06 -77.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 178.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.544 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 157.37 58.67 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.157 0.503 . . . . 0.0 110.901 178.592 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.419 ' CD2' ' HG3' ' A' ' 6' ' ' MET . 23.9 t90 59.91 144.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.62 179.416 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.419 ' HG3' ' CD2' ' A' ' 5' ' ' TRP . 9.5 mtp 55.29 47.7 20.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.943 179.461 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.528 ' CH2' ' CG2' ' A' ' 8' ' ' THR . 1.0 OUTLIER -114.4 137.17 52.17 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 178.616 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.528 ' CG2' ' CH2' ' A' ' 7' ' ' TRP . 0.6 OUTLIER -41.18 148.6 0.12 Allowed 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -178.338 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.447 ' SG ' ' HG2' ' A' ' 13' ' ' ARG . 4.1 t -111.17 164.49 12.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.101 179.44 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -177.64 -170.5 0.27 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.441 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -49.91 -30.47 10.25 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.048 0.451 . . . . 0.0 110.657 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -157.31 99.71 1.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.06 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.643 ' HD2' ' HB2' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -119.59 148.37 43.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.141 0.496 . . . . 0.0 111.495 -179.05 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.49 ' CG ' ' CE2' ' A' ' 1' ' ' TYR . 0.1 OUTLIER -41.94 -92.41 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.185 -179.696 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.643 ' HB2' ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 58.68 164.35 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.863 0.363 . . . . 0.0 110.373 -179.169 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.433 ' H ' ' CD1' ' A' ' 19' ' ' LEU . 11.1 m -102.6 174.55 5.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.497 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -57.65 -20.59 34.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.695 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.35 65.24 0.45 Allowed Glycine 0 CA--C 1.518 0.256 0 C-N-CA 120.455 -0.879 . . . . 0.0 113.401 -179.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.433 ' CD1' ' H ' ' A' ' 16' ' ' CYS . 95.6 mt -151.06 140.85 21.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.867 0.365 . . . . 0.0 111.252 179.496 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -92.93 -169.97 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.499 179.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 54.1 t -125.66 113.22 17.08 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.181 0.515 . . . . 0.0 112.157 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 24' ' ' TRP . 7.9 mtt180 -170.38 98.39 0.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.098 178.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.9 mt 66.71 -60.51 0.34 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.329 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.459 ' N ' ' O ' ' A' ' 22' ' ' ARG . 1.2 p90 -148.2 152.74 37.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.163 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.438 ' HB2' ' H ' ' A' ' 7' ' ' TRP . 96.0 m -42.92 124.07 3.0 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.844 0.354 . . . . 0.0 111.399 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.6 mtmt -134.23 139.95 46.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.77 154.01 51.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.7 pp -140.99 130.58 25.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.5 mp -145.42 109.44 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.15 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -138.07 -67.16 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.7 ttt . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.247 -0.883 . . . . 0.0 110.922 -179.998 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.434 ' CE1' ' HD2' ' A' ' 14' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 120.799 0.333 . . . . 0.0 111.139 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.484 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 3.4 m 74.16 103.86 0.07 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.318 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.576 ' O ' ' CB ' ' A' ' 4' ' ' LYS . 0.6 OUTLIER -56.46 -48.87 76.18 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.011 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.576 ' CB ' ' O ' ' A' ' 3' ' ' GLN . 0.0 OUTLIER 130.81 65.36 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.951 178.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.424 ' CE2' ' HG3' ' A' ' 6' ' ' MET . 38.4 t90 59.23 146.09 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.029 179.147 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.424 ' HG3' ' CE2' ' A' ' 5' ' ' TRP . 5.0 mtm 41.75 65.22 0.9 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.814 179.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.659 ' CD1' ' HD2' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -118.41 130.79 56.18 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 178.714 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -39.68 121.41 1.24 Allowed 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -178.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.599 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -85.57 160.38 19.65 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 179.361 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -176.13 -160.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.462 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -49.99 -28.34 6.76 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.856 0.36 . . . . 0.0 111.112 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.6 pm0 -153.41 100.66 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.622 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.659 ' HD2' ' CD1' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -100.75 109.85 21.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.819 -179.706 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 3' ' ' GLN . 14.6 mmtt -71.57 61.99 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.105 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.548 ' HB2' ' CG ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -109.37 149.52 29.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.015 179.556 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -61.86 157.54 18.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.937 0.398 . . . . 0.0 110.852 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -65.9 -11.53 47.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.284 -178.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.12 34.48 4.26 Favored Glycine 0 CA--C 1.517 0.178 0 C-N-CA 120.375 -0.917 . . . . 0.0 112.931 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.6 mt -148.06 161.96 40.34 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.764 0.316 . . . . 0.0 111.135 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.415 ' O ' ' NH2' ' A' ' 13' ' ' ARG . 21.3 t -110.84 145.89 16.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.93 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.503 ' HA ' ' NH2' ' A' ' 13' ' ' ARG . 49.3 t -87.14 110.7 20.31 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.047 0.451 . . . . 0.0 112.022 -179.388 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 21' ' ' CYS . 4.1 mtp180 -170.17 98.85 0.28 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.223 178.645 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mm? 67.14 -60.8 0.36 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.256 -178.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.6 p90 -158.19 136.93 11.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.928 179.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.501 ' HA ' ' NH2' ' A' ' 13' ' ' ARG . 1.2 m -41.71 116.73 0.82 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.031 0.443 . . . . 0.0 111.885 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -118.93 148.35 43.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.735 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.58 142.51 48.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.434 ' CG2' ' N ' ' A' ' 29' ' ' ILE . 3.7 mm -46.06 156.29 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.136 0.493 . . . . 0.0 111.628 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.434 ' N ' ' CG2' ' A' ' 28' ' ' ILE . 37.1 mm -51.0 100.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.307 -179.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -158.97 -175.92 5.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.402 ' CE2' ' O ' ' A' ' 13' ' ' ARG . 1.2 t80 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.804 0.335 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.9 m 70.63 97.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.705 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.577 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 10.0 mt-30 -70.15 -65.63 0.7 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.729 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.577 ' HD3' ' HB3' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -175.94 34.12 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 179.617 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.432 ' CE3' ' HG2' ' A' ' 6' ' ' MET . 1.0 OUTLIER 65.46 161.37 0.13 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.815 0.34 . . . . 0.0 110.256 -179.831 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.542 ' HA ' ' N ' ' A' ' 25' ' ' CYS . 21.4 ptt? 45.9 46.19 12.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.601 -179.501 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.514 ' CE2' ' O ' ' A' ' 8' ' ' THR . 1.1 t-105 -94.25 154.64 17.43 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 121.031 0.443 . . . . 0.0 110.923 179.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.514 ' O ' ' CE2' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -59.74 108.02 0.68 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.19 -179.881 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.549 ' HA ' ' NH1' ' A' ' 13' ' ' ARG . 49.4 t -58.32 134.0 56.19 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.729 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -165.57 -164.98 0.78 Allowed 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.428 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -49.77 -28.07 5.76 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.815 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -138.91 98.93 3.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.03 0.443 . . . . 0.0 111.209 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.549 ' NH1' ' HA ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -71.84 99.8 2.27 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.599 179.498 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -57.62 -60.99 2.84 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.953 -179.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 p -41.0 145.59 0.2 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.079 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -44.79 139.62 2.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.852 -179.028 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.78 -26.86 48.14 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.536 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -51.34 -24.62 10.82 Favored Glycine 0 CA--C 1.518 0.22 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.198 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.407 ' HB2' ' SG ' ' A' ' 25' ' ' CYS . 6.9 mt -88.99 -175.63 4.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.477 0.179 . . . . 0.0 110.667 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.2 t -115.07 151.51 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-O 120.745 0.307 . . . . 0.0 111.704 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.448 ' SG ' ' HD2' ' A' ' 13' ' ' ARG . 0.6 OUTLIER -95.96 99.78 11.53 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.414 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.33 99.49 0.27 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.886 179.42 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.417 HD13 ' CE3' ' A' ' 24' ' ' TRP . 0.2 OUTLIER 70.34 -61.6 0.46 Allowed 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -178.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.417 ' CE3' HD13 ' A' ' 23' ' ' LEU . 9.0 p90 -157.4 136.08 11.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.856 179.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.542 ' N ' ' HA ' ' A' ' 6' ' ' MET . 1.1 m -45.68 112.71 0.49 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.908 0.385 . . . . 0.0 111.405 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -105.02 142.3 35.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.94 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.47 160.15 16.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.946 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.1 pp -52.16 163.35 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.397 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.1 mm -68.14 158.64 5.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.044 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -59.81 101.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.6 t80 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.809 0.338 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 20.6 m 69.84 101.03 0.06 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -79.36 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 120.776 0.322 . . . . 0.0 110.358 179.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.474 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 175.75 52.53 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.967 0.413 . . . . 0.0 111.397 179.289 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.45 ' CE3' ' CB ' ' A' ' 6' ' ' MET . 48.5 t90 60.39 157.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.258 0.552 . . . . 0.0 111.614 179.09 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.45 ' CB ' ' CE3' ' A' ' 5' ' ' TRP . 2.6 tmm? 46.55 27.16 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.576 179.532 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.518 ' CZ2' HG21 ' A' ' 8' ' ' THR . 1.6 t-105 -85.04 154.2 22.24 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 178.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.518 HG21 ' CZ2' ' A' ' 7' ' ' TRP . 0.4 OUTLIER -49.16 154.95 0.73 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.028 0.442 . . . . 0.0 111.689 -179.683 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.5 t -144.92 144.72 31.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.941 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -165.26 -85.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.817 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -101.56 -50.25 3.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.014 0.435 . . . . 0.0 110.208 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.51 99.57 3.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.795 179.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.448 ' CZ ' ' SG ' ' A' ' 25' ' ' CYS . 1.9 ptp85 -84.41 -170.03 2.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.361 -179.401 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.488 ' HD3' ' CE2' ' A' ' 7' ' ' TRP . 0.7 OUTLIER -115.99 -63.4 1.46 Allowed 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -178.774 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 0.8 OUTLIER -32.92 143.76 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.87 0.367 . . . . 0.0 111.127 -178.269 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.5 m -45.17 140.88 2.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.913 -178.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.19 -24.4 4.21 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.213 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -49.78 -24.54 6.11 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.612 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 mt -94.49 135.3 36.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.653 0.263 . . . . 0.0 111.235 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.7 m -68.12 161.81 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.907 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.442 ' HA ' HH22 ' A' ' 13' ' ' ARG . 49.0 t -105.39 115.04 29.59 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.404 0.621 . . . . 0.0 112.345 -179.387 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 24' ' ' TRP . 1.5 mtt85 -170.39 99.03 0.26 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.151 -0.931 . . . . 0.0 108.964 178.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.0 mt 67.86 -62.01 0.36 Allowed 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -178.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.429 ' N ' ' O ' ' A' ' 22' ' ' ARG . 1.9 p90 -141.71 -173.82 3.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.652 178.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.448 ' SG ' ' CZ ' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -86.54 112.93 22.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.958 0.409 . . . . 0.0 111.102 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -124.7 130.21 51.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.446 ' CZ ' ' CD1' ' A' ' 5' ' ' TRP . 5.5 mpt_? -67.11 -178.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.6 pp -128.27 148.43 32.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.6 mm -95.35 158.75 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.061 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -154.21 -178.22 6.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.833 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 51.9 ttp . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.89 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.414 ' HA ' ' N ' ' A' ' 15' ' ' CYS . 4.6 t . . . . . 0 N--CA 1.462 0.152 0 CA-C-O 120.889 0.376 . . . . 0.0 111.363 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.424 ' NE2' ' CE3' ' A' ' 7' ' ' TRP . 2.4 mm100 -105.14 -75.8 0.62 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.873 178.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.56 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 170.36 54.55 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.122 0.487 . . . . 0.0 111.204 179.028 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 49.4 t90 56.75 158.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.459 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.437 ' HG3' ' CD1' ' A' ' 24' ' ' TRP . 3.2 ttp 40.78 32.15 0.15 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.692 -0.686 . . . . 0.0 112.044 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.436 ' CD1' ' HG3' ' A' ' 13' ' ' ARG . 1.0 OUTLIER -84.79 145.16 28.02 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 120.794 0.33 . . . . 0.0 110.236 179.618 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -44.08 127.74 5.56 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.411 0.522 . . . . 0.0 112.411 -179.407 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.46 ' HA ' ' CD ' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -91.81 141.56 28.53 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.869 179.517 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -159.93 -171.99 3.46 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.759 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -49.84 -50.09 46.73 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 121.129 0.49 . . . . 0.0 110.081 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -131.45 99.05 4.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.067 178.654 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.46 ' CD ' ' HA ' ' A' ' 9' ' ' CYS . 0.4 OUTLIER -114.17 150.48 34.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.67 -178.867 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -62.22 -114.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.747 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.414 ' N ' ' HA ' ' A' ' 2' ' ' CYS . 0.9 OUTLIER 60.62 135.89 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.943 0.402 . . . . 0.0 111.338 179.275 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 35.4 m -66.79 156.69 34.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.812 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.04 -20.69 26.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.773 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.87 46.47 3.11 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.6 -0.809 . . . . 0.0 112.947 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 50.8 mt -154.86 138.42 16.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.793 0.33 . . . . 0.0 111.069 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.496 HG22 ' N ' ' A' ' 21' ' ' CYS . 10.3 p -82.49 160.55 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.32 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.496 ' N ' HG22 ' A' ' 20' ' ' VAL . 49.7 t -113.54 114.44 26.51 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.198 0.523 . . . . 0.0 112.055 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -170.08 99.13 0.29 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.207 179.072 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.7 mt 69.88 -62.39 0.42 Allowed 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -178.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.437 ' CD1' ' HG3' ' A' ' 6' ' ' MET . 2.8 p90 -152.46 138.52 18.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.62 179.022 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.431 ' HB2' ' N ' ' A' ' 6' ' ' MET . 1.2 m -44.7 120.5 2.31 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.942 0.401 . . . . 0.0 111.676 -179.298 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -117.17 142.11 47.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.817 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.935 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.621 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 61.1 m . . . . . 0 N--CA 1.467 0.386 0 CA-C-O 121.249 0.547 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -85.19 149.95 25.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.342 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.59 127.89 19.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.613 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.638 ' CB ' HD22 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -45.86 168.23 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.096 -179.641 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.476 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 3.8 ttp 88.09 -48.31 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.412 -179.318 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 13' ' ' ARG . 3.8 t90 -43.44 165.15 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -44.83 143.15 1.52 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.41 -0.813 . . . . 0.0 112.628 -179.504 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.495 ' HA ' ' CG ' ' A' ' 13' ' ' ARG . 4.4 t -126.68 137.22 53.25 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.164 179.041 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -144.35 -165.78 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.012 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.66 -30.81 14.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.999 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.23 99.69 3.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.495 ' CG ' ' HA ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -88.35 167.61 13.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.924 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.621 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 2.5 mptp? -92.42 -39.94 11.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.579 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.3 p -40.55 133.17 2.0 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.293 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 m -48.0 155.09 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.266 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -57.44 -20.65 31.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.494 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -53.04 -23.34 15.79 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.821 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.834 HD23 ' HA ' ' A' ' 27' ' ' ARG . 0.4 OUTLIER -118.85 128.2 54.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.836 0.35 . . . . 0.0 111.079 -179.817 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.4 m -58.58 -177.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.758 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.6 t -140.9 118.91 11.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.168 0.509 . . . . 0.0 111.955 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -168.84 99.32 0.39 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.272 -0.877 . . . . 0.0 109.298 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.42 HD12 ' CZ3' ' A' ' 24' ' ' TRP . 0.2 OUTLIER 72.93 -56.74 0.65 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -178.347 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.42 ' CZ3' HD12 ' A' ' 23' ' ' LEU . 1.4 p90 -144.66 120.04 10.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.558 178.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.451 ' HB2' ' NH2' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -41.91 99.76 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.978 0.418 . . . . 0.0 111.649 -179.106 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -88.63 137.8 31.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.998 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.834 ' HA ' HD23 ' A' ' 19' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.483 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 3.8 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.799 0.333 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.449 ' HB2' ' CD1' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -58.84 -81.07 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.647 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.583 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 172.89 59.18 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.177 0.513 . . . . 0.0 110.624 179.464 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.793 ' CD1' HD21 ' A' ' 19' ' ' LEU . 1.3 m-90 56.26 161.79 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.394 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.534 ' N ' ' HB2' ' A' ' 25' ' ' CYS . 17.9 mtp 37.05 30.17 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.698 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.515 ' CZ3' ' CG2' ' A' ' 8' ' ' THR . 0.0 OUTLIER -88.17 123.96 33.34 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.856 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.515 ' CG2' ' CZ3' ' A' ' 7' ' ' TRP . 12.2 t -47.13 139.5 5.9 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.297 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.473 ' N ' ' NH1' ' A' ' 13' ' ' ARG . 11.9 t -78.11 157.29 29.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.233 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.6 p-10 -157.05 -162.25 1.2 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.619 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -49.9 -27.87 5.83 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.975 0.416 . . . . 0.0 110.392 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -155.62 99.68 2.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.368 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.617 ' CD ' ' HB2' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -68.38 99.66 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.183 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 2.9 mptp? -53.98 -30.28 46.43 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.363 -179.463 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.634 ' SG ' HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -34.27 150.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.87 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 m -68.72 157.44 36.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.547 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 pm0 -55.34 -21.16 13.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.775 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.45 -21.67 28.23 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.822 -0.704 . . . . 0.0 113.214 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.793 HD21 ' CD1' ' A' ' 5' ' ' TRP . 0.7 OUTLIER -119.94 165.99 13.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.895 0.379 . . . . 0.0 111.499 -179.498 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.8 m -109.99 179.87 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.88 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.2 t -106.39 107.62 18.73 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-O 121.316 0.579 . . . . 0.0 111.878 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 24' ' ' TRP . 9.6 mtm-85 -170.39 98.34 0.26 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.328 -0.851 . . . . 0.0 108.889 178.355 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.617 HD12 ' CE3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER 67.12 -61.2 0.35 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.46 -178.834 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.617 ' CE3' HD12 ' A' ' 23' ' ' LEU . 3.3 p90 -155.02 147.48 24.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.959 179.343 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.603 ' HB3' HD13 ' A' ' 19' ' ' LEU . 29.1 m -42.65 116.53 0.88 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.851 0.358 . . . . 0.0 111.571 -179.171 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -123.92 108.85 12.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.559 ' N ' HD23 ' A' ' 19' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.494 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 44.7 t . . . . . 0 CA--C 1.523 -0.07 0 CA-C-O 121.222 0.534 . . . . 0.0 111.495 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.413 ' OE1' ' CD1' ' A' ' 7' ' ' TRP . 0.9 OUTLIER -91.32 -173.49 3.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.105 179.119 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.444 ' HA ' ' HE2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -97.23 74.59 2.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.035 0.445 . . . . 0.0 111.741 -179.386 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.951 ' CE2' HD21 ' A' ' 19' ' ' LEU . 1.2 m-90 53.67 172.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.175 178.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.538 ' N ' ' HB2' ' A' ' 25' ' ' CYS . 23.0 mtp 31.48 38.57 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 114.917 -1.038 . . . . 0.0 112.941 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.413 ' CD1' ' OE1' ' A' ' 3' ' ' GLN . 0.8 OUTLIER -90.51 142.34 27.84 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.792 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -40.19 120.4 1.19 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.895 0.379 . . . . 0.0 111.998 -179.456 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.433 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -100.85 153.82 19.16 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.686 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -168.8 -159.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.404 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -50.06 -27.21 5.25 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.859 0.362 . . . . 0.0 110.81 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -164.06 111.62 1.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.656 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.494 ' HD3' ' HB2' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -113.27 144.2 43.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.055 0.455 . . . . 0.0 111.012 179.9 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.494 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 3.6 mptt -61.69 -27.43 68.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.308 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.494 ' HB2' ' HD3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -33.69 150.7 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.17 -179.624 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.9 m -65.12 168.61 6.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.807 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -77.98 -2.29 36.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.857 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -95.73 28.51 12.19 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.481 -0.866 . . . . 0.0 112.676 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.951 HD21 ' CE2' ' A' ' 5' ' ' TRP . 16.3 mt -142.8 136.29 28.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.902 0.382 . . . . 0.0 111.396 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.6 t -77.24 137.68 21.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.498 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.453 ' HA ' ' NH2' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -86.21 106.88 17.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.99 0.424 . . . . 0.0 111.915 -179.239 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.12 99.15 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.801 179.078 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.661 HD12 ' CE3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER 68.92 -60.75 0.44 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.651 -179.224 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.661 ' CE3' HD12 ' A' ' 23' ' ' LEU . 3.5 p90 -151.34 146.54 26.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.224 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.695 ' HB3' HD13 ' A' ' 19' ' ' LEU . 12.5 m -58.27 117.41 4.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.0 0.428 . . . . 0.0 111.14 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.433 ' HG2' ' CD1' ' A' ' 24' ' ' TRP . 49.1 mtmt -113.52 145.6 40.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.435 ' HG3' ' CD1' ' A' ' 5' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.4 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.344 0.592 . . . . 0.0 111.782 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.449 ' O ' ' HB2' ' A' ' 4' ' ' LYS . 0.6 OUTLIER -106.72 -80.45 0.56 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.23 178.739 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.6 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 178.2 36.61 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.591 178.291 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.45 ' CD2' ' HG3' ' A' ' 6' ' ' MET . 30.8 t90 59.09 150.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.999 0.428 . . . . 0.0 111.214 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.469 ' O ' ' HB2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 66.45 -35.43 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 179.523 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.433 ' H ' ' C ' ' A' ' 5' ' ' TRP . 2.3 t90 -39.68 157.94 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.326 0.584 . . . . 0.0 112.456 -179.021 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.432 ' N ' ' CE3' ' A' ' 7' ' ' TRP . 0.2 OUTLIER -40.95 142.28 0.5 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.318 -0.856 . . . . 0.0 112.985 -178.797 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.401 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -123.15 124.9 44.1 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.497 179.346 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -136.52 -165.86 1.8 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.814 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.84 -27.3 7.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.958 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.89 99.81 1.24 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.788 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.478 ' CD ' ' HB2' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -113.46 -179.38 3.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.801 179.789 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HB2' ' CG ' ' A' ' 3' ' ' GLN . 1.3 mptp? -80.51 -107.9 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.929 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.478 ' HB2' ' CD ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 59.5 125.64 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.917 0.389 . . . . 0.0 111.325 179.808 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.2 m -51.33 156.75 1.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.018 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -53.74 -23.12 10.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.795 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.83 47.27 2.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.84 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.413 HD13 ' SG ' ' A' ' 15' ' ' CYS . 90.5 mt -155.97 136.34 13.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.796 0.332 . . . . 0.0 111.312 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.8 m -82.47 169.96 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.247 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.2 t -131.02 122.83 27.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.404 0.621 . . . . 0.0 112.372 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 24' ' ' TRP . 10.3 mtt180 -170.35 99.24 0.27 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.234 178.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 23' ' ' LEU . 5.9 mt 68.51 -61.39 0.41 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.018 0.437 . . . . 0.0 109.929 -178.513 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.469 ' HB2' ' O ' ' A' ' 6' ' ' MET . 0.3 OUTLIER -146.97 126.42 13.19 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.828 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -40.23 144.96 0.18 Allowed 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.97 0.414 . . . . 0.0 111.754 -178.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -132.2 144.26 50.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.823 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.407 ' HD2' ' CZ2' ' A' ' 5' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 28.0 m . . . . . 0 N--CA 1.461 0.08 0 CA-C-O 120.723 0.297 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -86.47 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.709 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.468 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -179.66 58.05 0.01 OUTLIER 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.803 0.335 . . . . 0.0 111.689 179.576 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.726 ' HA ' HD13 ' A' ' 19' ' ' LEU . 33.1 t90 58.26 158.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.159 0.504 . . . . 0.0 111.788 178.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.542 ' N ' ' HB2' ' A' ' 25' ' ' CYS . 3.1 mmt 38.64 39.65 0.34 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.153 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.435 ' CD2' ' N ' ' A' ' 8' ' ' THR . 1.1 t-105 -93.1 153.23 18.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.8 0.333 . . . . 0.0 110.229 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.435 ' N ' ' CD2' ' A' ' 7' ' ' TRP . 0.2 OUTLIER -48.56 112.7 0.63 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.145 179.708 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -109.93 125.46 52.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.973 -179.83 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 2.0 m-20 155.32 -86.35 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.948 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -65.94 -50.11 65.56 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.943 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -135.32 99.42 4.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.094 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.436 ' NE ' ' HB2' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -92.67 123.21 35.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.348 179.552 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.468 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 0.4 OUTLIER -114.05 -50.83 2.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.746 -179.045 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.667 ' HB2' HD12 ' A' ' 19' ' ' LEU . 20.3 p -36.65 141.48 0.12 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.294 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.5 m -47.1 142.55 3.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.42 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -52.56 -23.52 6.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.848 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.73 -20.14 23.85 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.845 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.726 HD13 ' HA ' ' A' ' 5' ' ' TRP . 14.5 mt -97.78 141.63 30.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.893 0.378 . . . . 0.0 111.212 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 26' ' ' LYS . 21.2 t -66.07 161.8 3.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.183 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.508 ' N ' HG12 ' A' ' 20' ' ' VAL . 1.6 t -114.86 103.13 10.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.946 0.403 . . . . 0.0 111.584 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -170.26 99.37 0.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.855 179.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.5 mt 69.31 -61.12 0.44 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.925 0.393 . . . . 0.0 110.266 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -145.01 134.6 23.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.873 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.542 ' HB2' ' N ' ' A' ' 6' ' ' MET . 35.4 m -45.97 111.29 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.011 0.434 . . . . 0.0 111.568 -179.295 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.57 ' O ' HG23 ' A' ' 20' ' ' VAL . 16.3 mtmm -124.74 143.34 50.83 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.041 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.646 ' HG3' HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 3' ' ' GLN . 11.4 t . . . . . 0 CA--C 1.52 -0.2 0 CA-C-O 120.985 0.421 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 2' ' ' CYS . 6.0 mm100 -26.91 -71.33 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.832 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.5 146.84 0.08 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.796 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.432 ' CZ2' ' HG3' ' A' ' 6' ' ' MET . 7.4 t90 -45.66 145.84 1.25 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.459 ' HA ' ' HB2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 68.13 46.78 1.11 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.294 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.536 ' H ' ' HB2' ' A' ' 25' ' ' CYS . 1.5 t-105 -104.87 154.18 20.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.904 0.383 . . . . 0.0 110.721 179.425 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.466 ' N ' ' CD2' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -55.9 108.71 0.48 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.946 179.7 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.426 ' SG ' ' HG3' ' A' ' 13' ' ' ARG . 12.4 t -85.94 136.73 33.16 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 179.271 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -171.35 -161.0 0.19 Allowed 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.553 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -49.53 -31.49 10.39 Favored 'General case' 0 CA--C 1.522 -0.112 0 CA-C-O 120.987 0.423 . . . . 0.0 110.197 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -129.64 98.45 4.83 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.232 178.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.473 ' HD3' ' CD1' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -89.32 156.73 18.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.986 -179.852 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.421 ' HD3' ' NE1' ' A' ' 7' ' ' TRP . 8.9 mptt -116.56 -61.19 1.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.445 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.0 p -39.15 152.06 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.21 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.6 m -53.72 135.23 41.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.164 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -54.06 -24.46 17.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.649 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.87 -20.34 40.37 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.599 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.432 HD21 ' HG3' ' A' ' 27' ' ' ARG . 8.6 mt -92.76 132.46 36.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.706 0.288 . . . . 0.0 111.177 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.689 HG12 ' O ' ' A' ' 26' ' ' LYS . 10.9 p -56.3 161.83 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.189 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.519 ' N ' HG22 ' A' ' 20' ' ' VAL . 11.5 t -116.62 116.53 27.74 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.292 0.568 . . . . 0.0 112.225 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -170.2 98.19 0.27 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.006 -0.997 . . . . 0.0 108.777 178.123 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.595 HD12 ' CE3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER 66.24 -60.86 0.3 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.907 0.384 . . . . 0.0 110.229 -178.758 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.595 ' CE3' HD12 ' A' ' 23' ' ' LEU . 2.8 p90 -141.35 134.57 29.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.014 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.536 ' HB2' ' H ' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -42.37 130.81 3.8 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.865 0.364 . . . . 0.0 111.428 -179.236 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.689 ' O ' HG12 ' A' ' 20' ' ' VAL . 15.7 ttpt -134.78 160.6 37.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.432 ' HG3' HD21 ' A' ' 19' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 52.7 t . . . . . 0 CA--C 1.518 -0.255 0 CA-C-O 121.415 0.626 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.413 ' N ' ' HA ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -59.07 -162.73 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.352 179.705 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.475 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -110.51 65.61 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.025 0.441 . . . . 0.0 111.651 -179.524 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.5 ' HD1' HD22 ' A' ' 19' ' ' LEU . 43.1 t90 55.91 163.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.521 178.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.471 ' N ' ' CG ' ' A' ' 5' ' ' TRP . 6.4 ptt? 47.7 38.01 7.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.58 -0.737 . . . . 0.0 112.142 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.519 ' CD1' ' HD3' ' A' ' 13' ' ' ARG . 1.7 t-105 -96.22 152.06 18.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.837 0.351 . . . . 0.0 110.478 179.238 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.43 ' N ' ' CD2' ' A' ' 7' ' ' TRP . 0.2 OUTLIER -53.11 124.81 15.42 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.129 -179.683 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.45 ' HA ' ' CD ' ' A' ' 13' ' ' ARG . 1.7 t -96.53 138.1 34.61 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.226 179.184 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.1 p-10 -163.78 -166.33 1.17 Allowed 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.46 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -49.57 -38.14 30.16 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 121.012 0.434 . . . . 0.0 110.207 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -128.88 98.5 4.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.149 178.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.519 ' HD3' ' CD1' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -83.38 168.94 16.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.435 -179.575 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.482 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 9.2 mptt -117.78 -53.75 2.38 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.611 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 24.7 p -44.83 166.59 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.142 0.496 . . . . 0.0 111.263 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 68.6 m -69.1 141.39 54.71 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.156 -178.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -50.09 -25.02 3.06 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.977 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.63 -18.94 25.69 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.848 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.5 HD22 ' HD1' ' A' ' 5' ' ' TRP . 4.5 mt -98.61 126.04 44.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.803 0.335 . . . . 0.0 111.325 -179.617 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.494 HG22 ' N ' ' A' ' 21' ' ' CYS . 11.2 p -58.12 159.74 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.494 ' N ' HG22 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -106.97 107.59 18.69 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.03 0.443 . . . . 0.0 112.008 -179.518 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.02 98.95 0.29 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.548 178.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.9 mt 68.04 -60.39 0.41 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.771 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 31.8 p90 -144.25 148.0 34.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.359 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.424 ' SG ' ' NE ' ' A' ' 13' ' ' ARG . 17.4 m -55.44 121.53 9.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.877 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.459 ' HB3' HG12 ' A' ' 20' ' ' VAL . 1.6 ttmm -115.57 145.76 42.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.013 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.5 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 38.1 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.742 0.306 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.98 157.15 19.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.398 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.402 ' CE ' ' HA ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -76.15 62.89 1.77 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.516 -179.403 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.468 ' CE3' ' HB2' ' A' ' 6' ' ' MET . 53.5 t90 57.03 164.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.231 0.539 . . . . 0.0 111.355 179.074 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.474 ' N ' ' HB3' ' A' ' 25' ' ' CYS . 13.5 ttt 54.32 33.44 18.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.827 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.929 ' CH2' HG22 ' A' ' 8' ' ' THR . 1.2 t-105 -98.11 143.87 28.19 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.159 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.929 HG22 ' CH2' ' A' ' 7' ' ' TRP . 0.7 OUTLIER -51.83 151.98 3.19 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.022 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -105.93 143.24 34.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.52 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -161.11 -167.47 1.81 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.82 0.343 . . . . 0.0 110.963 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.4 -33.17 42.45 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.295 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -142.44 99.53 3.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.323 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.47 ' HD2' ' CD1' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -88.21 122.59 31.92 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.646 -179.646 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.5 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 0.3 OUTLIER -54.53 -41.53 69.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.397 -179.687 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.507 ' SG ' HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -36.81 142.31 0.1 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.775 -179.591 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 m -64.63 154.43 36.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -57.97 -20.91 41.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.469 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.56 -20.2 37.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.931 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.824 HD13 ' SG ' ' A' ' 25' ' ' CYS . 1.6 mt -110.35 159.0 17.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.732 0.301 . . . . 0.0 111.154 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 21' ' ' CYS . 21.4 t -93.47 155.07 3.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.148 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.455 ' HB2' ' NH1' ' A' ' 13' ' ' ARG . 50.8 t -103.32 119.25 38.52 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.119 0.485 . . . . 0.0 111.975 -179.671 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -169.94 99.05 0.3 Allowed 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.467 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.6 mt 69.1 -61.63 0.42 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.986 0.422 . . . . 0.0 110.141 -178.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.8 p90 -147.62 152.81 38.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.009 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.824 ' SG ' HD13 ' A' ' 19' ' ' LEU . 1.8 t -53.76 108.67 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.844 0.354 . . . . 0.0 110.762 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.42 170.03 8.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.432 ' N ' ' CD ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.083 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.475 ' HA ' ' CA ' ' A' ' 15' ' ' CYS . 48.1 t . . . . . 0 CA--C 1.522 -0.127 0 CA-C-O 121.132 0.491 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.35 -77.35 0.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.813 179.283 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.553 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 167.61 52.61 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.608 179.044 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.436 ' CH2' ' HG3' ' A' ' 6' ' ' MET . 42.2 t90 60.9 151.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.244 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.436 ' HG3' ' CH2' ' A' ' 5' ' ' TRP . 0.3 OUTLIER 54.87 38.67 30.72 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.358 179.237 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.437 ' HD1' ' NH1' ' A' ' 13' ' ' ARG . 1.5 t-105 -101.91 149.18 24.47 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.921 0.391 . . . . 0.0 110.189 178.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.404 ' O ' ' CE2' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -53.22 125.92 19.21 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -179.011 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 m -76.12 155.04 35.04 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 -158.65 -174.54 4.83 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.474 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -49.67 -37.79 30.0 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 121.383 0.611 . . . . 0.0 109.536 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -130.19 98.53 4.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.127 178.07 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.589 ' NH1' ' HB2' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -76.06 149.66 37.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.469 -179.036 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.21 -94.05 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.815 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.589 ' HB2' ' NH1' ' A' ' 13' ' ' ARG . 0.8 OUTLIER 45.66 -172.19 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.062 0.458 . . . . 0.0 111.225 -179.658 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.4 m -104.01 166.89 10.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.431 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -55.6 -18.7 8.23 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -178.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.48 ' O ' HD23 ' A' ' 19' ' ' LEU . . . -102.59 53.49 0.77 Allowed Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.187 -1.006 . . . . 0.0 113.872 -178.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.48 HD23 ' O ' ' A' ' 18' ' ' GLY . 91.6 mt -157.64 165.11 36.35 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 117.204 0.502 . . . . 0.0 111.485 179.498 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.559 HG12 ' O ' ' A' ' 26' ' ' LYS . 13.3 p -118.32 163.53 15.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.062 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.531 ' N ' HG22 ' A' ' 20' ' ' VAL . 42.4 t -107.21 114.89 29.22 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -179.521 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -170.26 98.47 0.27 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.044 178.33 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.648 HD12 ' CE3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER 66.15 -61.67 0.28 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.181 0.515 . . . . 0.0 109.859 -178.549 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.648 ' CE3' HD12 ' A' ' 23' ' ' LEU . 3.9 p90 -151.61 140.86 21.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.296 178.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -44.91 126.29 5.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.926 0.393 . . . . 0.0 111.614 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.559 ' O ' HG12 ' A' ' 20' ' ' VAL . 20.1 ttpt -138.21 133.56 33.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.858 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.428 ' HD3' ' CD1' ' A' ' 5' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.6 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 121.133 0.492 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -106.45 -75.97 0.62 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.474 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.457 ' O ' ' HB3' ' A' ' 7' ' ' TRP . 0.0 OUTLIER 173.48 150.83 0.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.486 179.775 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.441 ' CG ' ' N ' ' A' ' 6' ' ' MET . 52.8 t90 -38.8 159.48 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.246 0.546 . . . . 0.0 111.978 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.441 ' N ' ' CG ' ' A' ' 5' ' ' TRP . 1.9 ptt? 50.4 21.84 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.211 -0.904 . . . . 0.0 112.475 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.799 ' CZ3' HG22 ' A' ' 8' ' ' THR . 0.7 OUTLIER -74.51 134.9 42.2 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.577 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.799 HG22 ' CZ3' ' A' ' 7' ' ' TRP . 14.6 t -58.54 137.3 57.5 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.183 0.516 . . . . 0.0 112.379 -178.505 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.59 ' HB3' ' HD2' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -126.4 160.9 29.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.608 -179.742 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -172.99 -86.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.071 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -93.89 -47.71 6.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.92 0.39 . . . . 0.0 110.59 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -137.79 99.48 3.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.304 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.59 ' HD2' ' HB3' ' A' ' 9' ' ' CYS . 2.1 ttt-85 -102.16 115.4 30.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.381 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -55.17 -98.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.504 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 49.54 -177.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.0 m -107.58 173.67 6.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.082 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -69.83 -8.27 47.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.155 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -92.44 25.13 19.61 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.947 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.617 HD13 ' SG ' ' A' ' 25' ' ' CYS . 21.6 mt -147.67 176.98 9.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.603 0.239 . . . . 0.0 110.879 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.572 HG12 ' H ' ' A' ' 21' ' ' CYS . 0.6 OUTLIER -126.02 176.36 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-O 120.781 0.324 . . . . 0.0 111.631 -179.335 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.572 ' H ' HG12 ' A' ' 20' ' ' VAL . 6.2 t -113.81 109.23 18.21 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.073 0.463 . . . . 0.0 111.49 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 24' ' ' TRP . 8.4 mtm-85 -170.25 98.6 0.27 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.172 178.588 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.631 HD12 ' CE3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER 67.51 -61.22 0.36 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.933 0.397 . . . . 0.0 110.027 -178.669 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.631 ' CE3' HD12 ' A' ' 23' ' ' LEU . 3.7 p90 -148.81 143.68 26.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.93 179.23 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.617 ' SG ' HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -44.13 108.64 0.12 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.936 0.398 . . . . 0.0 111.342 -179.58 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -87.94 148.81 24.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.042 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.9 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.047 0.451 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -116.28 -73.96 0.63 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.315 179.864 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.455 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 171.68 137.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.647 179.54 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.461 ' HA ' ' HB3' ' A' ' 25' ' ' CYS . 84.4 t90 -51.6 145.89 8.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.212 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.442 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 0.0 OUTLIER 85.33 -42.2 0.06 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.218 179.31 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.6 ' HB3' HH21 ' A' ' 13' ' ' ARG . 1.9 t90 -42.64 162.72 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -178.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.406 ' N ' ' CE3' ' A' ' 7' ' ' TRP . 0.2 OUTLIER -48.34 143.1 4.97 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 114.933 -1.031 . . . . 0.0 113.644 -178.792 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.591 ' HA ' ' HD2' ' A' ' 13' ' ' ARG . 8.6 t -127.12 136.41 52.09 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.485 178.062 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -148.85 -159.22 1.01 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.475 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -49.7 -49.53 47.34 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.08 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -131.98 98.69 4.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.049 0.452 . . . . 0.0 111.132 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.6 HH21 ' HB3' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -96.94 169.15 10.03 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.986 179.763 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 3' ' ' GLN . 14.9 mmtp -122.77 62.06 0.99 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.393 179.296 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.518 ' HB3' ' HB2' ' A' ' 19' ' ' LEU . 21.7 m -82.15 165.94 20.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.283 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.509 ' H ' HD12 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -70.83 175.19 5.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.859 0.361 . . . . 0.0 110.7 179.627 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -63.43 -14.68 53.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.092 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.517 ' O ' HD23 ' A' ' 19' ' ' LEU . . . -125.79 59.56 0.65 Allowed Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.336 -0.935 . . . . 0.0 113.145 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.694 HD22 ' O ' ' A' ' 26' ' ' LYS . 78.8 mt -156.3 145.18 20.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 0.0 111.114 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.469 HG12 ' N ' ' A' ' 21' ' ' CYS . 5.8 t -100.57 164.54 2.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.56 179.638 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.469 ' N ' HG12 ' A' ' 20' ' ' VAL . 1.6 t -117.57 118.54 32.43 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.321 0.582 . . . . 0.0 112.083 -179.641 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.4 ' O ' ' HB2' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -170.0 99.13 0.29 Allowed 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.148 -0.933 . . . . 0.0 108.962 178.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 5.7 mt 69.74 -56.81 0.56 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.003 0.43 . . . . 0.0 109.848 -178.097 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -139.63 143.01 37.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.697 178.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.531 ' SG ' HD13 ' A' ' 19' ' ' LEU . 7.9 t -46.56 103.62 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 110.916 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.694 ' O ' HD22 ' A' ' 19' ' ' LEU . 6.0 ttpt -61.97 167.86 3.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.112 -179.665 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.439 ' HA ' ' CA ' ' A' ' 15' ' ' CYS . 3.7 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.713 0.292 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.47 ' HG3' ' CD2' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -49.96 -77.67 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.537 179.761 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.617 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 167.24 51.68 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.185 0.517 . . . . 0.0 111.257 178.936 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.413 ' HD1' HD22 ' A' ' 19' ' ' LEU . 36.3 t90 56.92 155.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.194 178.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.433 ' HG2' ' CD1' ' A' ' 24' ' ' TRP . 11.7 mtt 39.85 28.64 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.034 -0.985 . . . . 0.0 113.349 179.199 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.589 ' CE3' HG22 ' A' ' 8' ' ' THR . 2.8 p-90 -87.43 172.54 9.73 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.151 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.589 HG22 ' CE3' ' A' ' 7' ' ' TRP . 7.5 t -71.71 130.28 40.76 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -177.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.479 ' HB2' ' NH2' ' A' ' 13' ' ' ARG . 36.8 t -78.89 147.66 33.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.665 -1.152 . . . . 0.0 110.701 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.8 p-10 -152.7 -171.13 3.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.041 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -49.91 -33.17 16.53 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.962 0.41 . . . . 0.0 110.536 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -142.15 99.37 3.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.308 179.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.578 ' CD ' ' HB2' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -77.48 111.74 13.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.107 -179.586 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 2.0 mptp? -57.66 -23.87 53.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.963 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.578 ' HB2' ' CD ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -33.93 152.4 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.928 179.888 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 m -68.54 -179.69 1.44 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.487 179.161 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -79.95 5.33 14.23 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -106.93 28.06 14.27 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.376 -0.916 . . . . 0.0 113.263 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.413 HD22 ' HD1' ' A' ' 5' ' ' TRP . 22.8 mt -147.03 167.18 24.68 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.982 0.391 . . . . 0.0 111.396 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.47 HG12 ' N ' ' A' ' 21' ' ' CYS . 3.6 t -114.42 165.09 9.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.211 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.482 ' SG ' ' HG3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -107.53 108.72 20.15 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.071 0.462 . . . . 0.0 112.001 -179.586 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 24' ' ' TRP . 11.0 mtm180 -170.24 98.75 0.27 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.299 178.675 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.417 ' HA ' HD13 ' A' ' 23' ' ' LEU . 1.3 mm? 67.21 -61.07 0.35 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.369 -178.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.471 ' HA ' ' O ' ' A' ' 7' ' ' TRP . 2.7 p90 -149.34 141.39 23.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.982 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.473 ' N ' ' NH2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -52.07 115.99 1.98 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.96 0.409 . . . . 0.0 111.443 -179.249 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.7 mtmm -117.39 145.32 44.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.426 ' N ' ' O ' ' A' ' 14' ' ' LYS . 50.4 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.874 0.369 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.428 ' CG ' ' N ' ' A' ' 4' ' ' LYS . 1.9 tt0 -91.42 -81.69 0.32 Allowed 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.026 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.56 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 178.53 60.66 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.014 0.435 . . . . 0.0 111.554 179.387 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.588 ' CD2' HD21 ' A' ' 19' ' ' LEU . 0.4 OUTLIER 58.41 152.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.099 178.763 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.5 ' HA ' ' N ' ' A' ' 25' ' ' CYS . 23.4 mtm 47.47 20.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.25 -0.887 . . . . 0.0 113.163 179.255 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.946 ' CH2' HG22 ' A' ' 8' ' ' THR . 0.4 OUTLIER -74.44 150.79 39.79 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.322 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.946 HG22 ' CH2' ' A' ' 7' ' ' TRP . 0.7 OUTLIER -54.29 143.93 21.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.277 0.56 . . . . 0.0 112.179 -178.754 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.419 ' HB2' ' NH2' ' A' ' 13' ' ' ARG . 6.5 t -99.25 147.83 24.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.242 179.569 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -156.17 -164.26 1.65 Allowed 'General case' 0 C--O 1.232 0.166 0 C-N-CA 120.949 -0.301 . . . . 0.0 111.267 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -49.74 -46.8 50.81 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 121.061 0.458 . . . . 0.0 110.3 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -126.23 98.75 5.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.99 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.591 HH11 ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -75.17 99.94 4.13 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.871 -179.208 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 2' ' ' CYS . 0.0 OUTLIER -59.96 -24.09 64.12 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.073 0.463 . . . . 0.0 110.089 178.704 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.523 ' CB ' ' HD3' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -36.56 161.27 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.18 -0.918 . . . . 0.0 112.106 179.539 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.5 m -60.98 155.4 20.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.613 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -68.93 -11.71 60.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.849 -179.386 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -100.01 43.27 1.81 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.93 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.588 HD21 ' CD2' ' A' ' 5' ' ' TRP . 19.5 mt -146.7 162.17 39.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.788 0.327 . . . . 0.0 111.115 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.48 HG12 ' N ' ' A' ' 21' ' ' CYS . 18.8 t -100.11 160.08 3.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.261 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.48 ' N ' HG12 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -108.91 102.19 11.22 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.137 0.494 . . . . 0.0 111.82 -179.694 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 24' ' ' TRP . 27.7 mtm-85 -170.26 99.13 0.27 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.565 179.056 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.4 mt 69.41 -61.64 0.43 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.974 0.416 . . . . 0.0 110.11 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.411 ' N ' ' O ' ' A' ' 22' ' ' ARG . 1.3 p90 -149.19 151.52 34.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.988 179.165 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.5 ' N ' ' HA ' ' A' ' 6' ' ' MET . 0.8 OUTLIER -56.79 101.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.989 0.423 . . . . 0.0 111.142 -179.494 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -97.81 137.8 36.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.942 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.468 ' HA ' ' N ' ' A' ' 16' ' ' CYS . 38.5 t . . . . . 0 CA--C 1.523 -0.078 0 CA-C-O 121.144 0.497 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -101.63 -72.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.467 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.42 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 177.42 134.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.611 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.442 ' CD1' ' HD2' ' A' ' 27' ' ' ARG . 8.0 t90 -53.82 147.98 10.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.44 ' HB2' ' CE3' ' A' ' 5' ' ' TRP . 2.8 ttt 83.37 -45.71 0.12 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.736 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.491 ' HB3' ' NH2' ' A' ' 13' ' ' ARG . 3.3 t90 -40.04 161.12 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -179.3 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -41.03 140.39 0.76 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.318 -0.856 . . . . 0.0 112.421 -179.434 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.486 ' HA ' ' CD ' ' A' ' 13' ' ' ARG . 1.8 t -121.4 152.02 39.52 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.796 179.364 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -148.91 -162.69 1.61 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.284 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -50.51 -41.23 53.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.975 0.417 . . . . 0.0 110.624 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -170.2 99.88 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.577 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.546 ' HG3' ' H ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -95.66 -175.78 3.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.829 0.347 . . . . 0.0 111.209 -179.864 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 15' ' ' CYS . 8.6 mptt -68.99 -24.56 64.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.132 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.546 ' H ' ' HG3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -25.61 121.34 0.07 Allowed 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.372 0.42 . . . . 0.0 112.11 -179.399 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.468 ' N ' ' HA ' ' A' ' 2' ' ' CYS . 0.1 OUTLIER -44.4 151.58 0.25 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.084 -179.68 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -51.74 -24.75 6.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.795 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.419 ' O ' HD23 ' A' ' 19' ' ' LEU . . . -89.53 48.41 3.34 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.71 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 18' ' ' GLY . 93.1 mt -156.64 139.52 15.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.831 0.348 . . . . 0.0 111.219 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.496 HG22 ' N ' ' A' ' 21' ' ' CYS . 9.3 p -88.21 160.38 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.076 179.068 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.496 ' N ' HG22 ' A' ' 20' ' ' VAL . 1.3 t -124.83 118.23 25.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.417 0.627 . . . . 0.0 112.242 -179.495 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 24' ' ' TRP . 9.1 mtm180 -170.1 99.11 0.28 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.102 -0.954 . . . . 0.0 108.865 178.71 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 mt 68.04 -62.05 0.36 Allowed 'General case' 0 N--CA 1.463 0.175 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -178.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.425 ' N ' ' O ' ' A' ' 22' ' ' ARG . 0.9 OUTLIER -137.99 124.76 21.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.454 178.798 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -44.01 133.41 5.08 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.916 0.388 . . . . 0.0 111.538 -179.223 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.437 ' HA ' ' CD1' ' A' ' 5' ' ' TRP . 35.1 mtpt -126.79 170.53 12.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.442 ' HD2' ' CD1' ' A' ' 5' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.475 ' HB2' ' CA ' ' A' ' 16' ' ' CYS . 36.7 t . . . . . 0 CA--C 1.522 -0.104 0 CA-C-O 121.116 0.484 . . . . 0.0 111.061 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -82.16 -80.96 0.15 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.107 179.541 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.531 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 175.19 63.65 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.18 0.514 . . . . 0.0 110.94 179.214 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.409 ' CE3' ' HG2' ' A' ' 6' ' ' MET . 32.2 t90 59.7 152.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.363 179.502 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.443 ' N ' ' HB2' ' A' ' 25' ' ' CYS . 3.3 ptt? 39.83 68.43 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.787 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.507 ' CD1' ' HG3' ' A' ' 13' ' ' ARG . 0.6 OUTLIER -118.73 152.62 35.81 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 178.173 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.452 ' O ' ' CE2' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -52.12 114.45 1.33 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.807 0.337 . . . . 0.0 111.815 -179.676 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.9 t -91.78 135.73 33.69 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.225 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -161.69 -164.82 1.16 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.023 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -49.9 -36.64 28.14 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.892 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -138.32 99.42 3.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.691 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.507 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -105.83 157.02 17.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.635 -179.874 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 2' ' ' CYS . 2.2 mptt -92.37 -32.66 14.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.259 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.464 ' HB2' ' CD ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -30.56 146.93 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.125 -179.656 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.475 ' CA ' ' HB2' ' A' ' 2' ' ' CYS . 0.1 OUTLIER -70.92 160.74 32.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.837 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -64.77 -13.49 55.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.151 -179.16 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.67 39.92 3.08 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.466 -0.874 . . . . 0.0 112.84 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.529 HD13 ' SG ' ' A' ' 25' ' ' CYS . 25.1 mt -151.97 154.25 35.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 0.0 110.971 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.6 t -88.9 153.8 3.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.944 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.45 107.63 18.74 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.113 0.483 . . . . 0.0 111.817 -179.446 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.446 ' O ' ' HB2' ' A' ' 23' ' ' LEU . 1.4 ttt-85 -170.03 99.36 0.29 Allowed 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.556 179.218 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.511 HD22 ' N ' ' A' ' 23' ' ' LEU . 3.0 mm? 67.84 -60.99 0.39 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.308 -178.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.427 ' N ' ' O ' ' A' ' 22' ' ' ARG . 6.1 p90 -154.78 138.89 16.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.876 179.237 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.529 ' SG ' HD13 ' A' ' 19' ' ' LEU . 1.2 m -41.42 127.9 3.02 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.907 0.384 . . . . 0.0 111.678 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -113.52 149.03 34.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.825 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.2 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.907 0.384 . . . . 0.0 111.485 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.467 ' O ' ' CB ' ' A' ' 4' ' ' LYS . 0.7 OUTLIER -70.06 -77.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 178.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.565 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 157.37 58.67 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.157 0.503 . . . . 0.0 110.901 178.592 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.435 ' CD2' ' HG3' ' A' ' 6' ' ' MET . 23.9 t90 59.91 144.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.62 179.416 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.435 ' HG3' ' CD2' ' A' ' 5' ' ' TRP . 9.5 mtp 55.29 47.7 20.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.943 179.461 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.947 ' CH2' HG22 ' A' ' 8' ' ' THR . 1.0 OUTLIER -114.4 137.17 52.17 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 178.616 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.947 HG22 ' CH2' ' A' ' 7' ' ' TRP . 0.6 OUTLIER -41.18 148.6 0.12 Allowed 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -178.338 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.465 ' SG ' ' HG2' ' A' ' 13' ' ' ARG . 4.1 t -111.17 164.49 12.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.101 179.44 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -177.64 -170.5 0.27 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.441 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -49.91 -30.47 10.25 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.048 0.451 . . . . 0.0 110.657 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -157.31 99.71 1.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.06 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.675 ' HD2' ' HB2' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -119.59 148.37 43.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.141 0.496 . . . . 0.0 111.495 -179.05 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.417 ' CD ' ' H ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -41.94 -92.41 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.185 -179.696 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.675 ' HB2' ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 58.68 164.35 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.863 0.363 . . . . 0.0 110.373 -179.169 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.997 ' H ' HD12 ' A' ' 19' ' ' LEU . 11.1 m -102.6 174.55 5.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.497 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -57.65 -20.59 34.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.695 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.35 65.24 0.45 Allowed Glycine 0 CA--C 1.518 0.256 0 C-N-CA 120.455 -0.879 . . . . 0.0 113.401 -179.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.997 HD12 ' H ' ' A' ' 16' ' ' CYS . 95.6 mt -151.06 140.85 21.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.867 0.365 . . . . 0.0 111.252 179.496 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -92.93 -169.97 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.499 179.761 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.486 ' H ' HG12 ' A' ' 20' ' ' VAL . 54.1 t -125.66 113.22 17.08 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.181 0.515 . . . . 0.0 112.157 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 24' ' ' TRP . 7.9 mtt180 -170.38 98.39 0.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.098 178.24 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.9 mt 66.71 -60.51 0.34 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.329 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.459 ' N ' ' O ' ' A' ' 22' ' ' ARG . 1.2 p90 -148.2 152.74 37.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.163 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.908 ' HB3' HD13 ' A' ' 19' ' ' LEU . 96.0 m -42.92 124.07 3.0 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.844 0.354 . . . . 0.0 111.399 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.544 ' O ' HG23 ' A' ' 20' ' ' VAL . 6.6 mtmt -134.23 139.95 46.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.799 ' HB3' HD23 ' A' ' 19' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 3.4 m . . . . . 0 N--CA 1.462 0.164 0 CA-C-O 120.617 0.246 . . . . 0.0 111.318 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.576 ' O ' ' CB ' ' A' ' 4' ' ' LYS . 0.6 OUTLIER -56.46 -48.87 76.18 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.011 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.576 ' CB ' ' O ' ' A' ' 3' ' ' GLN . 0.0 OUTLIER 130.81 65.36 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.951 178.942 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.43 ' CE2' ' HG3' ' A' ' 6' ' ' MET . 38.4 t90 59.23 146.09 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.029 179.147 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.43 ' HG3' ' CE2' ' A' ' 5' ' ' TRP . 5.0 mtm 41.75 65.22 0.9 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.814 179.234 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.665 ' CD1' ' HD2' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -118.41 130.79 56.18 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 178.714 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -39.68 121.41 1.24 Allowed 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -178.766 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.631 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -85.57 160.38 19.65 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 179.361 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -176.13 -160.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.462 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -49.99 -28.34 6.76 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.856 0.36 . . . . 0.0 111.112 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.6 pm0 -153.41 100.66 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.622 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.665 ' HD2' ' CD1' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -100.75 109.85 21.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.819 -179.706 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 3' ' ' GLN . 14.6 mmtt -71.57 61.99 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.105 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.563 ' HB2' ' CG ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -109.37 149.52 29.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.015 179.556 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -61.86 157.54 18.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.937 0.398 . . . . 0.0 110.852 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -65.9 -11.53 47.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.284 -178.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.405 ' C ' ' HG ' ' A' ' 19' ' ' LEU . . . -91.12 34.48 4.26 Favored Glycine 0 CA--C 1.517 0.178 0 C-N-CA 120.375 -0.917 . . . . 0.0 112.931 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.542 HD13 ' SG ' ' A' ' 25' ' ' CYS . 11.6 mt -148.06 161.96 40.34 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.764 0.316 . . . . 0.0 111.135 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.415 ' O ' ' NH2' ' A' ' 13' ' ' ARG . 21.3 t -110.84 145.89 16.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.93 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.525 ' HA ' ' NH2' ' A' ' 13' ' ' ARG . 49.3 t -87.14 110.7 20.31 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.047 0.451 . . . . 0.0 112.022 -179.388 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 24' ' ' TRP . 4.1 mtp180 -170.17 98.85 0.28 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.223 178.645 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.498 HD12 ' CZ3' ' A' ' 24' ' ' TRP . 1.6 mm? 67.14 -60.8 0.36 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.256 -178.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.498 ' CZ3' HD12 ' A' ' 23' ' ' LEU . 2.6 p90 -158.19 136.93 11.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.928 179.387 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.542 ' SG ' HD13 ' A' ' 19' ' ' LEU . 1.2 m -41.71 116.73 0.82 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.031 0.443 . . . . 0.0 111.885 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -118.93 148.35 43.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.735 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.461 0.102 0 CA-C-O 120.761 0.315 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.599 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 3.2 mt-30 -70.15 -65.63 0.7 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.729 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.599 ' HD3' ' HB3' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -175.94 34.12 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 179.617 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.428 ' CE3' ' HG2' ' A' ' 6' ' ' MET . 1.0 OUTLIER 65.46 161.37 0.13 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.815 0.34 . . . . 0.0 110.256 -179.831 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.556 ' HA ' ' N ' ' A' ' 25' ' ' CYS . 21.4 ptt? 45.9 46.19 12.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.601 -179.501 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.548 ' CE3' ' NE2' ' A' ' 3' ' ' GLN . 1.1 t-105 -94.25 154.64 17.43 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 121.031 0.443 . . . . 0.0 110.923 179.764 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.514 ' O ' ' CE2' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -59.74 108.02 0.68 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.19 -179.881 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.559 ' HA ' ' NH1' ' A' ' 13' ' ' ARG . 49.4 t -58.32 134.0 56.19 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.729 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -165.57 -164.98 0.78 Allowed 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.428 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -49.77 -28.07 5.76 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.815 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -138.91 98.93 3.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.03 0.443 . . . . 0.0 111.209 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.559 ' NH1' ' HA ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -71.84 99.8 2.27 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.599 179.498 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -57.62 -60.99 2.84 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.953 -179.277 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 p -41.0 145.59 0.2 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.079 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -44.79 139.62 2.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.852 -179.028 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.78 -26.86 48.14 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.536 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -51.34 -24.62 10.82 Favored Glycine 0 CA--C 1.518 0.22 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.198 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.78 HD13 ' HB3' ' A' ' 25' ' ' CYS . 6.9 mt -88.99 -175.63 4.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.477 0.179 . . . . 0.0 110.667 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.2 t -115.07 151.51 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-O 120.745 0.307 . . . . 0.0 111.704 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.452 ' SG ' ' HD2' ' A' ' 13' ' ' ARG . 0.6 OUTLIER -95.96 99.78 11.53 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.414 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.435 HH21 HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -170.33 99.49 0.27 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.886 179.42 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.736 HD12 ' CE3' ' A' ' 24' ' ' TRP . 0.2 OUTLIER 70.34 -61.6 0.46 Allowed 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -178.948 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.736 ' CE3' HD12 ' A' ' 23' ' ' LEU . 9.0 p90 -157.4 136.08 11.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.856 179.138 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.78 ' HB3' HD13 ' A' ' 19' ' ' LEU . 1.1 m -45.68 112.71 0.49 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.908 0.385 . . . . 0.0 111.405 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.452 ' O ' HD23 ' A' ' 19' ' ' LEU . 10.6 ttpt -105.02 142.3 35.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.94 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.946 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 20.6 m . . . . . 0 CA--C 1.527 0.092 0 CA-C-O 120.659 0.266 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -79.36 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 120.776 0.322 . . . . 0.0 110.358 179.656 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.485 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 175.75 52.53 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.967 0.413 . . . . 0.0 111.397 179.289 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.553 ' HD1' HD21 ' A' ' 19' ' ' LEU . 48.5 t90 60.39 157.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.258 0.552 . . . . 0.0 111.614 179.09 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' MET . . . . . 0.465 ' HB2' ' CD2' ' A' ' 5' ' ' TRP . 2.6 tmm? 46.55 27.16 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.576 179.532 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TRP . . . . . 0.924 ' CZ2' HG22 ' A' ' 8' ' ' THR . 1.6 t-105 -85.04 154.2 22.24 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 178.741 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.924 HG22 ' CZ2' ' A' ' 7' ' ' TRP . 0.4 OUTLIER -49.16 154.95 0.73 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.028 0.442 . . . . 0.0 111.689 -179.683 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.5 t -144.92 144.72 31.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.941 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -165.26 -85.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.817 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -101.56 -50.25 3.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.014 0.435 . . . . 0.0 110.208 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.51 99.57 3.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.795 179.385 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.489 HH22 ' HA ' ' A' ' 21' ' ' CYS . 1.9 ptp85 -84.41 -170.03 2.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.361 -179.401 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.508 ' HD3' ' CE2' ' A' ' 7' ' ' TRP . 0.7 OUTLIER -115.99 -63.4 1.46 Allowed 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -178.774 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 0.8 OUTLIER -32.92 143.76 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.87 0.367 . . . . 0.0 111.127 -178.269 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.5 m -45.17 140.88 2.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.913 -178.402 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.19 -24.4 4.21 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.213 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -49.78 -24.54 6.11 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.612 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.553 HD21 ' HD1' ' A' ' 5' ' ' TRP . 1.4 mt -94.49 135.3 36.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.653 0.263 . . . . 0.0 111.235 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 26' ' ' LYS . 27.7 m -68.12 161.81 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.907 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.489 ' HA ' HH22 ' A' ' 13' ' ' ARG . 49.0 t -105.39 115.04 29.59 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.404 0.621 . . . . 0.0 112.345 -179.387 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 24' ' ' TRP . 1.5 mtt85 -170.39 99.03 0.26 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.151 -0.931 . . . . 0.0 108.964 178.735 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.46 ' HA ' HD23 ' A' ' 23' ' ' LEU . 6.0 mt 67.86 -62.01 0.36 Allowed 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -178.324 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.429 ' N ' ' O ' ' A' ' 22' ' ' ARG . 1.9 p90 -141.71 -173.82 3.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.652 178.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.457 ' HB3' HD22 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -86.54 112.93 22.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.958 0.409 . . . . 0.0 111.102 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.552 ' O ' HG22 ' A' ' 20' ' ' VAL . 14.1 ptmt -124.7 130.21 51.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.927 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.446 ' CZ ' ' CD1' ' A' ' 5' ' ' TRP . 5.5 mpt_? . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.459 ' HB2' ' HA ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.539 0.209 . . . . 0.0 110.961 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 1' ' ' TYR . 4.6 t 178.01 134.2 0.07 Allowed 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.889 0.376 . . . . 0.0 111.363 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.424 ' NE2' ' CE3' ' A' ' 7' ' ' TRP . 2.4 mm100 -105.14 -75.8 0.62 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.873 178.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.56 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 170.36 54.55 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.122 0.487 . . . . 0.0 111.204 179.028 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 49.4 t90 56.75 158.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.459 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.437 ' HG3' ' CD1' ' A' ' 24' ' ' TRP . 3.2 ttp 40.78 32.15 0.15 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.692 -0.686 . . . . 0.0 112.044 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.436 ' CD1' ' HG3' ' A' ' 13' ' ' ARG . 1.0 OUTLIER -84.79 145.16 28.02 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 120.794 0.33 . . . . 0.0 110.236 179.618 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -44.08 127.74 5.56 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.411 0.522 . . . . 0.0 112.411 -179.407 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.46 ' HA ' ' CD ' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -91.81 141.56 28.53 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.869 179.517 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -159.93 -171.99 3.46 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.759 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -49.84 -50.09 46.73 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 121.129 0.49 . . . . 0.0 110.081 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -131.45 99.05 4.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.067 178.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.46 ' CD ' ' HA ' ' A' ' 9' ' ' CYS . 0.4 OUTLIER -114.17 150.48 34.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.67 -178.867 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.459 ' HA ' ' HB2' ' A' ' 1' ' ' TYR . 35.6 mmtp -62.22 -114.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.747 178.558 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.414 ' N ' ' HA ' ' A' ' 2' ' ' CYS . 0.9 OUTLIER 60.62 135.89 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.943 0.402 . . . . 0.0 111.338 179.275 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 35.4 m -66.79 156.69 34.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.812 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.04 -20.69 26.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.773 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.87 46.47 3.11 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.6 -0.809 . . . . 0.0 112.947 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 50.8 mt -154.86 138.42 16.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.793 0.33 . . . . 0.0 111.069 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.496 HG22 ' N ' ' A' ' 21' ' ' CYS . 10.3 p -82.49 160.55 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.32 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.496 ' N ' HG22 ' A' ' 20' ' ' VAL . 49.7 t -113.54 114.44 26.51 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.198 0.523 . . . . 0.0 112.055 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -170.08 99.13 0.29 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.207 179.072 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.7 mt 69.88 -62.39 0.42 Allowed 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -178.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.437 ' CD1' ' HG3' ' A' ' 6' ' ' MET . 2.8 p90 -152.46 138.52 18.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.62 179.022 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.431 ' HB2' ' N ' ' A' ' 6' ' ' MET . 1.2 m -44.7 120.5 2.31 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.942 0.401 . . . . 0.0 111.676 -179.298 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -117.17 142.11 47.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.817 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.79 -170.04 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.935 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.647 ' N ' HD13 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -149.16 138.83 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.618 HD12 ' C ' ' A' ' 28' ' ' ILE . 3.2 mp -142.54 158.69 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.078 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.484 ' N ' HG22 ' A' ' 29' ' ' ILE . 4.0 m-80 -105.77 -35.53 7.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 10.2 mtp . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.247 -0.883 . . . . 0.0 110.895 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.511 ' O ' ' HB2' ' A' ' 2' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 111.173 0.064 . . . . 0.0 111.173 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.621 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 61.1 m 82.87 90.57 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.249 0.547 . . . . 0.0 111.015 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -85.19 149.95 25.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.342 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.59 127.89 19.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.613 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.638 ' CB ' HD22 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -45.86 168.23 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.096 -179.641 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.476 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 3.8 ttp 88.09 -48.31 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.412 -179.318 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 13' ' ' ARG . 3.8 t90 -43.44 165.15 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -44.83 143.15 1.52 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.41 -0.813 . . . . 0.0 112.628 -179.504 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.495 ' HA ' ' CG ' ' A' ' 13' ' ' ARG . 4.4 t -126.68 137.22 53.25 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.164 179.041 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -144.35 -165.78 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.012 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.66 -30.81 14.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.999 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.23 99.69 3.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.495 ' CG ' ' HA ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -88.35 167.61 13.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.924 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.621 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 2.5 mptp? -92.42 -39.94 11.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.579 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.3 p -40.55 133.17 2.0 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.293 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 m -48.0 155.09 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.266 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -57.44 -20.65 31.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.494 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.487 ' O ' HG23 ' A' ' 28' ' ' ILE . . . -53.04 -23.34 15.79 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.821 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.834 HD23 ' HA ' ' A' ' 27' ' ' ARG . 0.4 OUTLIER -118.85 128.2 54.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.836 0.35 . . . . 0.0 111.079 -179.817 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.4 m -58.58 -177.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.758 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.6 t -140.9 118.91 11.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.168 0.509 . . . . 0.0 111.955 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -168.84 99.32 0.39 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.272 -0.877 . . . . 0.0 109.298 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.42 HD12 ' CZ3' ' A' ' 24' ' ' TRP . 0.2 OUTLIER 72.93 -56.74 0.65 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -178.347 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.42 ' CZ3' HD12 ' A' ' 23' ' ' LEU . 1.4 p90 -144.66 120.04 10.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.558 178.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.451 ' HB2' ' NH2' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -41.91 99.76 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.978 0.418 . . . . 0.0 111.649 -179.106 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -88.63 137.8 31.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.998 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.834 ' HA ' HD23 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -78.46 149.53 33.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.544 ' N ' HD13 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -49.32 135.79 6.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.454 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.477 HG22 ' N ' ' A' ' 30' ' ' ASN . 26.1 mm -101.65 158.95 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.477 ' N ' HG22 ' A' ' 29' ' ' ILE . 11.6 t-20 -146.08 -57.16 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.958 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 7.0 ttt . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.304 -0.855 . . . . 0.0 110.878 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.429 ' CZ ' ' HA ' ' A' ' 14' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.83 0.348 . . . . 0.0 111.148 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.483 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 3.8 m 64.73 110.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.991 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.449 ' HB2' ' CD1' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -58.84 -81.07 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.647 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.583 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 172.89 59.18 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.177 0.513 . . . . 0.0 110.624 179.464 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.793 ' CD1' HD21 ' A' ' 19' ' ' LEU . 1.3 m-90 56.26 161.79 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.394 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.534 ' N ' ' HB2' ' A' ' 25' ' ' CYS . 17.9 mtp 37.05 30.17 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.698 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.515 ' CZ3' ' CG2' ' A' ' 8' ' ' THR . 0.0 OUTLIER -88.17 123.96 33.34 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.856 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.515 ' CG2' ' CZ3' ' A' ' 7' ' ' TRP . 12.2 t -47.13 139.5 5.9 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.297 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.473 ' N ' ' NH1' ' A' ' 13' ' ' ARG . 11.9 t -78.11 157.29 29.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.233 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.6 p-10 -157.05 -162.25 1.2 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.619 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -49.9 -27.87 5.83 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.975 0.416 . . . . 0.0 110.392 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -155.62 99.68 2.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.368 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.617 ' CD ' ' HB2' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -68.38 99.66 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.183 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.429 ' HA ' ' CZ ' ' A' ' 1' ' ' TYR . 2.9 mptp? -53.98 -30.28 46.43 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.363 -179.463 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.634 ' SG ' HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -34.27 150.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.87 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 m -68.72 157.44 36.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.547 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 pm0 -55.34 -21.16 13.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.775 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.45 -21.67 28.23 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.822 -0.704 . . . . 0.0 113.214 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.793 HD21 ' CD1' ' A' ' 5' ' ' TRP . 0.7 OUTLIER -119.94 165.99 13.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.895 0.379 . . . . 0.0 111.499 -179.498 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.8 m -109.99 179.87 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.88 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.2 t -106.39 107.62 18.73 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-O 121.316 0.579 . . . . 0.0 111.878 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 24' ' ' TRP . 9.6 mtm-85 -170.39 98.34 0.26 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.328 -0.851 . . . . 0.0 108.889 178.355 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.617 HD12 ' CE3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER 67.12 -61.2 0.35 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.46 -178.834 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.617 ' CE3' HD12 ' A' ' 23' ' ' LEU . 3.3 p90 -155.02 147.48 24.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.959 179.343 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.603 ' HB3' HD13 ' A' ' 19' ' ' LEU . 29.1 m -42.65 116.53 0.88 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.851 0.358 . . . . 0.0 111.571 -179.171 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -123.92 108.85 12.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.559 ' N ' HD23 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -59.94 -174.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.728 ' O ' HD12 ' A' ' 28' ' ' ILE . 2.8 pp -130.53 136.38 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.48 HG22 ' N ' ' A' ' 30' ' ' ASN . 30.0 mm -98.37 158.75 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.155 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.48 ' N ' HG22 ' A' ' 29' ' ' ILE . 3.2 m120 -165.03 82.99 0.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.6 ptt? . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.834 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.46 ' CD1' ' HG3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.49 0 CA-C-O 120.67 0.271 . . . . 0.0 111.003 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.494 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 44.7 t 60.99 125.06 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.222 0.534 . . . . 0.0 111.495 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.413 ' OE1' ' CD1' ' A' ' 7' ' ' TRP . 0.9 OUTLIER -91.32 -173.49 3.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.105 179.119 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.444 ' HA ' ' HE2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -97.23 74.59 2.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.035 0.445 . . . . 0.0 111.741 -179.386 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.951 ' CE2' HD21 ' A' ' 19' ' ' LEU . 1.2 m-90 53.67 172.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.175 178.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.538 ' N ' ' HB2' ' A' ' 25' ' ' CYS . 23.0 mtp 31.48 38.57 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 114.917 -1.038 . . . . 0.0 112.941 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.413 ' CD1' ' OE1' ' A' ' 3' ' ' GLN . 0.8 OUTLIER -90.51 142.34 27.84 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.792 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -40.19 120.4 1.19 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.895 0.379 . . . . 0.0 111.998 -179.456 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.433 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -100.85 153.82 19.16 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.686 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -168.8 -159.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.404 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -50.06 -27.21 5.25 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.859 0.362 . . . . 0.0 110.81 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -164.06 111.62 1.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.656 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.494 ' HD3' ' HB2' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -113.27 144.2 43.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.055 0.455 . . . . 0.0 111.012 179.9 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.494 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 3.6 mptt -61.69 -27.43 68.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.308 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.494 ' HB2' ' HD3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -33.69 150.7 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.17 -179.624 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.9 m -65.12 168.61 6.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.807 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -77.98 -2.29 36.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.857 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -95.73 28.51 12.19 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.481 -0.866 . . . . 0.0 112.676 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.951 HD21 ' CE2' ' A' ' 5' ' ' TRP . 16.3 mt -142.8 136.29 28.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.902 0.382 . . . . 0.0 111.396 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.6 t -77.24 137.68 21.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.498 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.453 ' HA ' ' NH2' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -86.21 106.88 17.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.99 0.424 . . . . 0.0 111.915 -179.239 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.12 99.15 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.801 179.078 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.661 HD12 ' CE3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER 68.92 -60.75 0.44 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.651 -179.224 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.661 ' CE3' HD12 ' A' ' 23' ' ' LEU . 3.5 p90 -151.34 146.54 26.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.224 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.695 ' HB3' HD13 ' A' ' 19' ' ' LEU . 12.5 m -58.27 117.41 4.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.0 0.428 . . . . 0.0 111.14 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.433 ' HG2' ' CD1' ' A' ' 24' ' ' TRP . 49.1 mtmt -113.52 145.6 40.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.435 ' HG3' ' CD1' ' A' ' 5' ' ' TRP . 0.4 OUTLIER -58.84 129.63 43.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.44 ' CG2' ' N ' ' A' ' 29' ' ' ILE . 4.0 mm -45.22 156.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.641 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.833 ' O ' HD12 ' A' ' 29' ' ' ILE . 2.8 pp -50.86 147.3 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.644 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -175.95 37.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.5 mtm . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.847 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.486 ' CD1' ' HG3' ' A' ' 14' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.693 0.282 . . . . 0.0 111.132 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.4 t 58.16 123.67 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.344 0.592 . . . . 0.0 111.782 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.449 ' O ' ' HB2' ' A' ' 4' ' ' LYS . 0.6 OUTLIER -106.72 -80.45 0.56 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.23 178.739 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.6 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 178.2 36.61 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.591 178.291 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.45 ' CD2' ' HG3' ' A' ' 6' ' ' MET . 30.8 t90 59.09 150.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.999 0.428 . . . . 0.0 111.214 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.469 ' O ' ' HB2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 66.45 -35.43 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 179.523 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.433 ' H ' ' C ' ' A' ' 5' ' ' TRP . 2.3 t90 -39.68 157.94 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.326 0.584 . . . . 0.0 112.456 -179.021 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.432 ' N ' ' CE3' ' A' ' 7' ' ' TRP . 0.2 OUTLIER -40.95 142.28 0.5 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.318 -0.856 . . . . 0.0 112.985 -178.797 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.401 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -123.15 124.9 44.1 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.497 179.346 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -136.52 -165.86 1.8 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.814 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.84 -27.3 7.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.958 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.89 99.81 1.24 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.788 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.478 ' CD ' ' HB2' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -113.46 -179.38 3.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.801 179.789 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.486 ' HG3' ' CD1' ' A' ' 1' ' ' TYR . 1.3 mptp? -80.51 -107.9 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.929 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.478 ' HB2' ' CD ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 59.5 125.64 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.917 0.389 . . . . 0.0 111.325 179.808 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.2 m -51.33 156.75 1.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.018 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -53.74 -23.12 10.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.795 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.83 47.27 2.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.84 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.413 HD13 ' SG ' ' A' ' 15' ' ' CYS . 90.5 mt -155.97 136.34 13.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.796 0.332 . . . . 0.0 111.312 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.8 m -82.47 169.96 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.247 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.2 t -131.02 122.83 27.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.404 0.621 . . . . 0.0 112.372 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 24' ' ' TRP . 10.3 mtt180 -170.35 99.24 0.27 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.234 178.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 23' ' ' LEU . 5.9 mt 68.51 -61.39 0.41 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.018 0.437 . . . . 0.0 109.929 -178.513 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.469 ' HB2' ' O ' ' A' ' 6' ' ' MET . 0.3 OUTLIER -146.97 126.42 13.19 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.828 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -40.23 144.96 0.18 Allowed 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.97 0.414 . . . . 0.0 111.754 -178.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -132.2 144.26 50.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.823 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.407 ' HD2' ' CZ2' ' A' ' 5' ' ' TRP . 0.0 OUTLIER -77.75 -173.92 3.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.743 ' O ' HD12 ' A' ' 28' ' ' ILE . 2.6 pp -137.56 125.95 32.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.6 mm -107.6 124.03 63.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 61.16 112.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.7 mtt . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.937 179.957 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.1 t80 . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.745 0.307 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 28.0 m 68.19 101.43 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.994 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -86.47 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.709 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.468 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -179.66 58.05 0.01 OUTLIER 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.803 0.335 . . . . 0.0 111.689 179.576 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.726 ' HA ' HD13 ' A' ' 19' ' ' LEU . 33.1 t90 58.26 158.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.159 0.504 . . . . 0.0 111.788 178.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.542 ' N ' ' HB2' ' A' ' 25' ' ' CYS . 3.1 mmt 38.64 39.65 0.34 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.153 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.435 ' CD2' ' N ' ' A' ' 8' ' ' THR . 1.1 t-105 -93.1 153.23 18.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.8 0.333 . . . . 0.0 110.229 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.435 ' N ' ' CD2' ' A' ' 7' ' ' TRP . 0.2 OUTLIER -48.56 112.7 0.63 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.145 179.708 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -109.93 125.46 52.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.973 -179.83 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 2.0 m-20 155.32 -86.35 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.948 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -65.94 -50.11 65.56 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.943 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -135.32 99.42 4.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.094 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.436 ' NE ' ' HB2' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -92.67 123.21 35.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.348 179.552 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.468 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 0.4 OUTLIER -114.05 -50.83 2.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.746 -179.045 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.667 ' HB2' HD12 ' A' ' 19' ' ' LEU . 20.3 p -36.65 141.48 0.12 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.294 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.5 m -47.1 142.55 3.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.42 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -52.56 -23.52 6.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.848 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.73 -20.14 23.85 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.845 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.726 HD13 ' HA ' ' A' ' 5' ' ' TRP . 14.5 mt -97.78 141.63 30.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.893 0.378 . . . . 0.0 111.212 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 26' ' ' LYS . 21.2 t -66.07 161.8 3.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.183 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.508 ' N ' HG12 ' A' ' 20' ' ' VAL . 1.6 t -114.86 103.13 10.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.946 0.403 . . . . 0.0 111.584 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -170.26 99.37 0.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.855 179.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.5 mt 69.31 -61.12 0.44 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.925 0.393 . . . . 0.0 110.266 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -145.01 134.6 23.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.873 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.542 ' HB2' ' N ' ' A' ' 6' ' ' MET . 35.4 m -45.97 111.29 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.011 0.434 . . . . 0.0 111.568 -179.295 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.57 ' O ' HG23 ' A' ' 20' ' ' VAL . 16.3 mtmm -124.74 143.34 50.83 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.041 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.646 ' HG3' HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -82.29 140.7 33.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.89 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.955 ' O ' HD13 ' A' ' 29' ' ' ILE . 2.1 mm -64.01 99.91 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.916 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.955 HD13 ' O ' ' A' ' 28' ' ' ILE . 7.7 mm -131.38 159.92 42.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.043 178.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.447 ' N ' HG22 ' A' ' 29' ' ' ILE . 48.4 m-80 60.67 80.02 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.4 ptt? . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.872 179.946 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.772 0.32 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 3' ' ' GLN . 11.4 t 60.05 36.61 21.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 2' ' ' CYS . 6.0 mm100 -26.91 -71.33 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.832 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.5 146.84 0.08 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.796 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.432 ' CZ2' ' HG3' ' A' ' 6' ' ' MET . 7.4 t90 -45.66 145.84 1.25 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.459 ' HA ' ' HB2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 68.13 46.78 1.11 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.294 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.536 ' H ' ' HB2' ' A' ' 25' ' ' CYS . 1.5 t-105 -104.87 154.18 20.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.904 0.383 . . . . 0.0 110.721 179.425 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.466 ' N ' ' CD2' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -55.9 108.71 0.48 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.946 179.7 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.426 ' SG ' ' HG3' ' A' ' 13' ' ' ARG . 12.4 t -85.94 136.73 33.16 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 179.271 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -171.35 -161.0 0.19 Allowed 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.553 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -49.53 -31.49 10.39 Favored 'General case' 0 CA--C 1.522 -0.112 0 CA-C-O 120.987 0.423 . . . . 0.0 110.197 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -129.64 98.45 4.83 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.232 178.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.473 ' HD3' ' CD1' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -89.32 156.73 18.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.986 -179.852 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.421 ' HD3' ' NE1' ' A' ' 7' ' ' TRP . 8.9 mptt -116.56 -61.19 1.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.445 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.0 p -39.15 152.06 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.21 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.6 m -53.72 135.23 41.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.164 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -54.06 -24.46 17.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.649 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.87 -20.34 40.37 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.599 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.432 HD21 ' HG3' ' A' ' 27' ' ' ARG . 8.6 mt -92.76 132.46 36.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.706 0.288 . . . . 0.0 111.177 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.689 HG12 ' O ' ' A' ' 26' ' ' LYS . 10.9 p -56.3 161.83 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.189 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.519 ' N ' HG22 ' A' ' 20' ' ' VAL . 11.5 t -116.62 116.53 27.74 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.292 0.568 . . . . 0.0 112.225 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -170.2 98.19 0.27 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.006 -0.997 . . . . 0.0 108.777 178.123 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.595 HD12 ' CE3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER 66.24 -60.86 0.3 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.907 0.384 . . . . 0.0 110.229 -178.758 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.595 ' CE3' HD12 ' A' ' 23' ' ' LEU . 2.8 p90 -141.35 134.57 29.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.014 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.536 ' HB2' ' H ' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -42.37 130.81 3.8 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.865 0.364 . . . . 0.0 111.428 -179.236 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.689 ' O ' HG12 ' A' ' 20' ' ' VAL . 15.7 ttpt -134.78 160.6 37.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.453 ' O ' HG23 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -89.43 178.92 6.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.922 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.774 ' O ' HD12 ' A' ' 28' ' ' ILE . 2.8 pp -157.05 136.38 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.589 HD12 ' C ' ' A' ' 28' ' ' ILE . 3.5 mp -145.5 158.62 12.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.479 ' N ' HG22 ' A' ' 29' ' ' ILE . 72.2 m-20 -158.66 79.6 0.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.2 ptt? . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.234 -0.888 . . . . 0.0 110.93 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.6 t80 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.879 0.371 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 52.7 t 62.7 90.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.415 0.626 . . . . 0.0 111.032 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.413 ' N ' ' HA ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -59.07 -162.73 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.352 179.705 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.475 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -110.51 65.61 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.025 0.441 . . . . 0.0 111.651 -179.524 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.5 ' HD1' HD22 ' A' ' 19' ' ' LEU . 43.1 t90 55.91 163.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.521 178.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.471 ' N ' ' CG ' ' A' ' 5' ' ' TRP . 6.4 ptt? 47.7 38.01 7.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.58 -0.737 . . . . 0.0 112.142 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.519 ' CD1' ' HD3' ' A' ' 13' ' ' ARG . 1.7 t-105 -96.22 152.06 18.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.837 0.351 . . . . 0.0 110.478 179.238 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.43 ' N ' ' CD2' ' A' ' 7' ' ' TRP . 0.2 OUTLIER -53.11 124.81 15.42 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.129 -179.683 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.45 ' HA ' ' CD ' ' A' ' 13' ' ' ARG . 1.7 t -96.53 138.1 34.61 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.226 179.184 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.1 p-10 -163.78 -166.33 1.17 Allowed 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.46 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -49.57 -38.14 30.16 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 121.012 0.434 . . . . 0.0 110.207 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -128.88 98.5 4.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.149 178.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.519 ' HD3' ' CD1' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -83.38 168.94 16.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.435 -179.575 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.482 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 9.2 mptt -117.78 -53.75 2.38 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.611 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 24.7 p -44.83 166.59 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.142 0.496 . . . . 0.0 111.263 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 68.6 m -69.1 141.39 54.71 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.156 -178.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -50.09 -25.02 3.06 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.977 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.63 -18.94 25.69 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.848 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.5 HD22 ' HD1' ' A' ' 5' ' ' TRP . 4.5 mt -98.61 126.04 44.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.803 0.335 . . . . 0.0 111.325 -179.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.494 HG22 ' N ' ' A' ' 21' ' ' CYS . 11.2 p -58.12 159.74 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.494 ' N ' HG22 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -106.97 107.59 18.69 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.03 0.443 . . . . 0.0 112.008 -179.518 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.02 98.95 0.29 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.548 178.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.9 mt 68.04 -60.39 0.41 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.771 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 31.8 p90 -144.25 148.0 34.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.359 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.424 ' SG ' ' NE ' ' A' ' 13' ' ' ARG . 17.4 m -55.44 121.53 9.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.877 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.459 ' HB3' HG12 ' A' ' 20' ' ' VAL . 1.6 ttmm -115.57 145.76 42.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.013 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.66 -177.96 3.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.782 ' O ' HD12 ' A' ' 28' ' ' ILE . 2.1 pp -118.76 152.66 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.553 HG22 ' H ' ' A' ' 31' ' ' MET . 3.6 mp -70.2 138.71 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.068 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -104.73 31.79 4.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.553 ' H ' HG22 ' A' ' 29' ' ' ILE . 4.6 ttp . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.184 -0.913 . . . . 0.0 110.944 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.6 t80 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.775 0.321 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.5 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 38.1 m 63.3 98.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.2 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.98 157.15 19.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.398 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.402 ' CE ' ' HA ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -76.15 62.89 1.77 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.516 -179.403 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.468 ' CE3' ' HB2' ' A' ' 6' ' ' MET . 53.5 t90 57.03 164.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.231 0.539 . . . . 0.0 111.355 179.074 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.474 ' N ' ' HB3' ' A' ' 25' ' ' CYS . 13.5 ttt 54.32 33.44 18.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.827 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.929 ' CH2' HG22 ' A' ' 8' ' ' THR . 1.2 t-105 -98.11 143.87 28.19 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.159 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.929 HG22 ' CH2' ' A' ' 7' ' ' TRP . 0.7 OUTLIER -51.83 151.98 3.19 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.022 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -105.93 143.24 34.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.52 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -161.11 -167.47 1.81 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.82 0.343 . . . . 0.0 110.963 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.4 -33.17 42.45 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.295 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -142.44 99.53 3.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.323 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.47 ' HD2' ' CD1' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -88.21 122.59 31.92 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.646 -179.646 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.5 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 0.3 OUTLIER -54.53 -41.53 69.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.397 -179.687 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.507 ' SG ' HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -36.81 142.31 0.1 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.775 -179.591 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 m -64.63 154.43 36.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -57.97 -20.91 41.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.469 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.56 -20.2 37.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.931 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.824 HD13 ' SG ' ' A' ' 25' ' ' CYS . 1.6 mt -110.35 159.0 17.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.732 0.301 . . . . 0.0 111.154 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 21' ' ' CYS . 21.4 t -93.47 155.07 3.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.148 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.455 ' HB2' ' NH1' ' A' ' 13' ' ' ARG . 50.8 t -103.32 119.25 38.52 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.119 0.485 . . . . 0.0 111.975 -179.671 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -169.94 99.05 0.3 Allowed 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.467 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.6 mt 69.1 -61.63 0.42 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.986 0.422 . . . . 0.0 110.141 -178.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.8 p90 -147.62 152.81 38.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.009 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.824 ' SG ' HD13 ' A' ' 19' ' ' LEU . 1.8 t -53.76 108.67 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.844 0.354 . . . . 0.0 110.762 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.42 170.03 8.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.85 ' HG2' HD11 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -146.24 112.24 5.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.083 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.936 ' O ' HD13 ' A' ' 29' ' ' ILE . 2.6 mm -57.17 129.48 18.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.028 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.936 HD13 ' O ' ' A' ' 28' ' ' ILE . 9.8 mm -130.63 139.81 50.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.139 179.096 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -123.87 -48.66 1.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 7.2 ptp . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.907 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.747 0.308 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.475 ' HA ' ' CA ' ' A' ' 15' ' ' CYS . 48.1 t 62.17 120.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.132 0.491 . . . . 0.0 111.148 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.35 -77.35 0.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.813 179.283 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.553 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 167.61 52.61 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.608 179.044 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.436 ' CH2' ' HG3' ' A' ' 6' ' ' MET . 42.2 t90 60.9 151.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.244 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.436 ' HG3' ' CH2' ' A' ' 5' ' ' TRP . 0.3 OUTLIER 54.87 38.67 30.72 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.358 179.237 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.437 ' HD1' ' NH1' ' A' ' 13' ' ' ARG . 1.5 t-105 -101.91 149.18 24.47 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.921 0.391 . . . . 0.0 110.189 178.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.404 ' O ' ' CE2' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -53.22 125.92 19.21 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -179.011 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 m -76.12 155.04 35.04 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 -158.65 -174.54 4.83 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.474 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -49.67 -37.79 30.0 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 121.383 0.611 . . . . 0.0 109.536 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -130.19 98.53 4.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.127 178.07 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.589 ' NH1' ' HB2' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -76.06 149.66 37.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.469 -179.036 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.21 -94.05 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.815 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.589 ' HB2' ' NH1' ' A' ' 13' ' ' ARG . 0.8 OUTLIER 45.66 -172.19 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.062 0.458 . . . . 0.0 111.225 -179.658 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.4 m -104.01 166.89 10.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.431 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -55.6 -18.7 8.23 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -178.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.48 ' O ' HD23 ' A' ' 19' ' ' LEU . . . -102.59 53.49 0.77 Allowed Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.187 -1.006 . . . . 0.0 113.872 -178.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.48 HD23 ' O ' ' A' ' 18' ' ' GLY . 91.6 mt -157.64 165.11 36.35 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 117.204 0.502 . . . . 0.0 111.485 179.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.559 HG12 ' O ' ' A' ' 26' ' ' LYS . 13.3 p -118.32 163.53 15.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.062 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.531 ' N ' HG22 ' A' ' 20' ' ' VAL . 42.4 t -107.21 114.89 29.22 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -179.521 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -170.26 98.47 0.27 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.044 178.33 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.648 HD12 ' CE3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER 66.15 -61.67 0.28 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.181 0.515 . . . . 0.0 109.859 -178.549 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.648 ' CE3' HD12 ' A' ' 23' ' ' LEU . 3.9 p90 -151.61 140.86 21.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.296 178.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -44.91 126.29 5.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.926 0.393 . . . . 0.0 111.614 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.559 ' O ' HG12 ' A' ' 20' ' ' VAL . 20.1 ttpt -138.21 133.56 33.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.858 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.428 ' HD3' ' CD1' ' A' ' 5' ' ' TRP . 0.1 OUTLIER -64.87 152.65 42.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.725 ' O ' HD12 ' A' ' 28' ' ' ILE . 2.5 pp -138.64 125.24 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.581 HD12 ' C ' ' A' ' 28' ' ' ILE . 3.5 mp -145.64 99.96 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 59.69 31.4 20.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 11.0 t80 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.865 0.364 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.6 t 65.75 129.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.133 0.492 . . . . 0.0 111.038 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -106.45 -75.97 0.62 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.474 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.457 ' O ' ' HB3' ' A' ' 7' ' ' TRP . 0.0 OUTLIER 173.48 150.83 0.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.486 179.775 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.441 ' CG ' ' N ' ' A' ' 6' ' ' MET . 52.8 t90 -38.8 159.48 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.246 0.546 . . . . 0.0 111.978 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.441 ' N ' ' CG ' ' A' ' 5' ' ' TRP . 1.9 ptt? 50.4 21.84 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.211 -0.904 . . . . 0.0 112.475 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.799 ' CZ3' HG22 ' A' ' 8' ' ' THR . 0.7 OUTLIER -74.51 134.9 42.2 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.577 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.799 HG22 ' CZ3' ' A' ' 7' ' ' TRP . 14.6 t -58.54 137.3 57.5 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.183 0.516 . . . . 0.0 112.379 -178.505 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.59 ' HB3' ' HD2' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -126.4 160.9 29.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.608 -179.742 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -172.99 -86.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.071 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -93.89 -47.71 6.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.92 0.39 . . . . 0.0 110.59 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -137.79 99.48 3.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.304 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.59 ' HD2' ' HB3' ' A' ' 9' ' ' CYS . 2.1 ttt-85 -102.16 115.4 30.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.381 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -55.17 -98.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.504 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 49.54 -177.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.0 m -107.58 173.67 6.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.082 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -69.83 -8.27 47.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.155 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -92.44 25.13 19.61 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.947 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.617 HD13 ' SG ' ' A' ' 25' ' ' CYS . 21.6 mt -147.67 176.98 9.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.603 0.239 . . . . 0.0 110.879 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.572 HG12 ' H ' ' A' ' 21' ' ' CYS . 0.6 OUTLIER -126.02 176.36 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-O 120.781 0.324 . . . . 0.0 111.631 -179.335 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.572 ' H ' HG12 ' A' ' 20' ' ' VAL . 6.2 t -113.81 109.23 18.21 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.073 0.463 . . . . 0.0 111.49 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 24' ' ' TRP . 8.4 mtm-85 -170.25 98.6 0.27 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.172 178.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.631 HD12 ' CE3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER 67.51 -61.22 0.36 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.933 0.397 . . . . 0.0 110.027 -178.669 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.631 ' CE3' HD12 ' A' ' 23' ' ' LEU . 3.7 p90 -148.81 143.68 26.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.93 179.23 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.617 ' SG ' HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -44.13 108.64 0.12 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.936 0.398 . . . . 0.0 111.342 -179.58 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -87.94 148.81 24.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.042 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.99 -173.06 2.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.747 ' O ' HD12 ' A' ' 28' ' ' ILE . 2.7 pp -119.38 139.47 46.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.5 mt -94.9 115.8 34.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 60.01 81.46 0.18 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.727 ' C ' HD13 ' A' ' 28' ' ' ILE . 12.2 mmt . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.186 -0.912 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.408 ' CE1' ' HD2' ' A' ' 14' ' ' LYS . 1.7 t80 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.798 0.332 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.9 t 66.26 131.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -116.28 -73.96 0.63 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.315 179.864 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.455 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 171.68 137.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.647 179.54 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.461 ' HA ' ' HB3' ' A' ' 25' ' ' CYS . 84.4 t90 -51.6 145.89 8.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.212 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.442 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 0.0 OUTLIER 85.33 -42.2 0.06 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.218 179.31 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.6 ' HB3' HH21 ' A' ' 13' ' ' ARG . 1.9 t90 -42.64 162.72 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -178.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.406 ' N ' ' CE3' ' A' ' 7' ' ' TRP . 0.2 OUTLIER -48.34 143.1 4.97 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 114.933 -1.031 . . . . 0.0 113.644 -178.792 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.591 ' HA ' ' HD2' ' A' ' 13' ' ' ARG . 8.6 t -127.12 136.41 52.09 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.485 178.062 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -148.85 -159.22 1.01 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.475 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -49.7 -49.53 47.34 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.08 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -131.98 98.69 4.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.049 0.452 . . . . 0.0 111.132 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.6 HH21 ' HB3' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -96.94 169.15 10.03 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.986 179.763 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 3' ' ' GLN . 14.9 mmtp -122.77 62.06 0.99 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.393 179.296 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.518 ' HB3' ' HB2' ' A' ' 19' ' ' LEU . 21.7 m -82.15 165.94 20.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.283 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.509 ' H ' HD12 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -70.83 175.19 5.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.859 0.361 . . . . 0.0 110.7 179.627 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -63.43 -14.68 53.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.092 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.517 ' O ' HD23 ' A' ' 19' ' ' LEU . . . -125.79 59.56 0.65 Allowed Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.336 -0.935 . . . . 0.0 113.145 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.694 HD22 ' O ' ' A' ' 26' ' ' LYS . 78.8 mt -156.3 145.18 20.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 0.0 111.114 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.469 HG12 ' N ' ' A' ' 21' ' ' CYS . 5.8 t -100.57 164.54 2.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.56 179.638 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.469 ' N ' HG12 ' A' ' 20' ' ' VAL . 1.6 t -117.57 118.54 32.43 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.321 0.582 . . . . 0.0 112.083 -179.641 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.4 ' O ' ' HB2' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -170.0 99.13 0.29 Allowed 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.148 -0.933 . . . . 0.0 108.962 178.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 5.7 mt 69.74 -56.81 0.56 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.003 0.43 . . . . 0.0 109.848 -178.097 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -139.63 143.01 37.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.697 178.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.531 ' SG ' HD13 ' A' ' 19' ' ' LEU . 7.9 t -46.56 103.62 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 110.916 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.694 ' O ' HD22 ' A' ' 19' ' ' LEU . 6.0 ttpt -61.97 167.86 3.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.112 -179.665 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -102.38 -178.1 3.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.514 ' C ' HD12 ' A' ' 28' ' ' ILE . 2.7 pp -51.51 179.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.411 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.46 HD12 ' H ' ' A' ' 29' ' ' ILE . 0.7 OUTLIER -114.07 174.59 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.0 p30 45.6 -168.91 0.01 OUTLIER 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.407 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 14' ' ' LYS . 1.7 t80 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.851 0.358 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.439 ' HA ' ' CA ' ' A' ' 15' ' ' CYS . 3.7 m 66.13 101.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.47 ' HG3' ' CD2' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -49.96 -77.67 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.537 179.761 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.617 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 167.24 51.68 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.185 0.517 . . . . 0.0 111.257 178.936 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.413 ' HD1' HD22 ' A' ' 19' ' ' LEU . 36.3 t90 56.92 155.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.194 178.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.433 ' HG2' ' CD1' ' A' ' 24' ' ' TRP . 11.7 mtt 39.85 28.64 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.034 -0.985 . . . . 0.0 113.349 179.199 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.589 ' CE3' HG22 ' A' ' 8' ' ' THR . 2.8 p-90 -87.43 172.54 9.73 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.151 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.589 HG22 ' CE3' ' A' ' 7' ' ' TRP . 7.5 t -71.71 130.28 40.76 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -177.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.479 ' HB2' ' NH2' ' A' ' 13' ' ' ARG . 36.8 t -78.89 147.66 33.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.665 -1.152 . . . . 0.0 110.701 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.8 p-10 -152.7 -171.13 3.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.041 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -49.91 -33.17 16.53 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.962 0.41 . . . . 0.0 110.536 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -142.15 99.37 3.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.308 179.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.578 ' CD ' ' HB2' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -77.48 111.74 13.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.107 -179.586 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 2.0 mptp? -57.66 -23.87 53.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.963 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.578 ' HB2' ' CD ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -33.93 152.4 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.928 179.888 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 m -68.54 -179.69 1.44 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.487 179.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -79.95 5.33 14.23 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -106.93 28.06 14.27 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.376 -0.916 . . . . 0.0 113.263 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.413 HD22 ' HD1' ' A' ' 5' ' ' TRP . 22.8 mt -147.03 167.18 24.68 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.982 0.391 . . . . 0.0 111.396 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.47 HG12 ' N ' ' A' ' 21' ' ' CYS . 3.6 t -114.42 165.09 9.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.211 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.482 ' SG ' ' HG3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -107.53 108.72 20.15 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.071 0.462 . . . . 0.0 112.001 -179.586 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 24' ' ' TRP . 11.0 mtm180 -170.24 98.75 0.27 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.299 178.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.417 ' HA ' HD13 ' A' ' 23' ' ' LEU . 1.3 mm? 67.21 -61.07 0.35 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.369 -178.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.471 ' HA ' ' O ' ' A' ' 7' ' ' TRP . 2.7 p90 -149.34 141.39 23.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.982 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.473 ' N ' ' NH2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -52.07 115.99 1.98 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.96 0.409 . . . . 0.0 111.443 -179.249 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.7 mtmm -117.39 145.32 44.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.534 ' NE ' HD11 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -113.43 -178.54 3.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.53 HD12 ' H ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -108.39 142.23 21.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.534 HD11 ' NE ' ' A' ' 27' ' ' ARG . 23.8 mm -104.07 159.18 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.472 ' N ' HG22 ' A' ' 29' ' ' ILE . 26.2 m-80 -72.44 -48.47 40.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.956 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.313 -0.851 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.439 ' CD1' ' HG3' ' A' ' 14' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 120.786 0.327 . . . . 0.0 110.997 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.426 ' N ' ' O ' ' A' ' 14' ' ' LYS . 50.4 t 63.44 134.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.983 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.428 ' CG ' ' N ' ' A' ' 4' ' ' LYS . 1.9 tt0 -91.42 -81.69 0.32 Allowed 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.026 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.56 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 178.53 60.66 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.014 0.435 . . . . 0.0 111.554 179.387 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.588 ' CD2' HD21 ' A' ' 19' ' ' LEU . 0.4 OUTLIER 58.41 152.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.099 178.763 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.5 ' HA ' ' N ' ' A' ' 25' ' ' CYS . 23.4 mtm 47.47 20.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.25 -0.887 . . . . 0.0 113.163 179.255 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.946 ' CH2' HG22 ' A' ' 8' ' ' THR . 0.4 OUTLIER -74.44 150.79 39.79 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.322 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.946 HG22 ' CH2' ' A' ' 7' ' ' TRP . 0.7 OUTLIER -54.29 143.93 21.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.277 0.56 . . . . 0.0 112.179 -178.754 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.419 ' HB2' ' NH2' ' A' ' 13' ' ' ARG . 6.5 t -99.25 147.83 24.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.242 179.569 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -156.17 -164.26 1.65 Allowed 'General case' 0 C--O 1.232 0.166 0 C-N-CA 120.949 -0.301 . . . . 0.0 111.267 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -49.74 -46.8 50.81 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 121.061 0.458 . . . . 0.0 110.3 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -126.23 98.75 5.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.99 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.591 HH11 ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -75.17 99.94 4.13 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.871 -179.208 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.439 ' HG3' ' CD1' ' A' ' 1' ' ' TYR . 0.0 OUTLIER -59.96 -24.09 64.12 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.073 0.463 . . . . 0.0 110.089 178.704 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.523 ' CB ' ' HD3' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -36.56 161.27 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.18 -0.918 . . . . 0.0 112.106 179.539 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.5 m -60.98 155.4 20.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.613 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -68.93 -11.71 60.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.849 -179.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -100.01 43.27 1.81 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.93 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.588 HD21 ' CD2' ' A' ' 5' ' ' TRP . 19.5 mt -146.7 162.17 39.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.788 0.327 . . . . 0.0 111.115 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.48 HG12 ' N ' ' A' ' 21' ' ' CYS . 18.8 t -100.11 160.08 3.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.261 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.48 ' N ' HG12 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -108.91 102.19 11.22 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.137 0.494 . . . . 0.0 111.82 -179.694 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 24' ' ' TRP . 27.7 mtm-85 -170.26 99.13 0.27 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.565 179.056 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.4 mt 69.41 -61.64 0.43 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.974 0.416 . . . . 0.0 110.11 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.411 ' N ' ' O ' ' A' ' 22' ' ' ARG . 1.3 p90 -149.19 151.52 34.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.988 179.165 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.5 ' N ' ' HA ' ' A' ' 6' ' ' MET . 0.8 OUTLIER -56.79 101.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.989 0.423 . . . . 0.0 111.142 -179.494 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -97.81 137.8 36.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.942 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.8 178.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.442 ' O ' HD12 ' A' ' 28' ' ' ILE . 1.1 pp -150.17 99.96 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.089 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.479 HG22 ' N ' ' A' ' 30' ' ' ASN . 24.5 mm -102.98 159.07 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.479 ' N ' HG22 ' A' ' 29' ' ' ILE . 2.2 m-20 -104.17 -34.83 8.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 9.2 tpt . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.907 179.949 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.427 ' CD1' ' HG3' ' A' ' 14' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.488 1.471 0 CA-C-O 120.818 0.342 . . . . 0.0 110.953 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.468 ' HA ' ' N ' ' A' ' 16' ' ' CYS . 38.5 t 63.21 125.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -101.63 -72.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.467 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.42 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 177.42 134.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.611 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.442 ' CD1' ' HD2' ' A' ' 27' ' ' ARG . 8.0 t90 -53.82 147.98 10.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.44 ' HB2' ' CE3' ' A' ' 5' ' ' TRP . 2.8 ttt 83.37 -45.71 0.12 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.736 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.491 ' HB3' ' NH2' ' A' ' 13' ' ' ARG . 3.3 t90 -40.04 161.12 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -179.3 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -41.03 140.39 0.76 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.318 -0.856 . . . . 0.0 112.421 -179.434 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.486 ' HA ' ' CD ' ' A' ' 13' ' ' ARG . 1.8 t -121.4 152.02 39.52 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.796 179.364 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -148.91 -162.69 1.61 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.284 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -50.51 -41.23 53.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.975 0.417 . . . . 0.0 110.624 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -170.2 99.88 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.577 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.546 ' HG3' ' H ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -95.66 -175.78 3.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.829 0.347 . . . . 0.0 111.209 -179.864 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 15' ' ' CYS . 8.6 mptt -68.99 -24.56 64.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.132 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.546 ' H ' ' HG3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -25.61 121.34 0.07 Allowed 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.372 0.42 . . . . 0.0 112.11 -179.399 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.468 ' N ' ' HA ' ' A' ' 2' ' ' CYS . 0.1 OUTLIER -44.4 151.58 0.25 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.084 -179.68 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -51.74 -24.75 6.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.795 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.419 ' O ' HD23 ' A' ' 19' ' ' LEU . . . -89.53 48.41 3.34 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.71 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 18' ' ' GLY . 93.1 mt -156.64 139.52 15.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.831 0.348 . . . . 0.0 111.219 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.496 HG22 ' N ' ' A' ' 21' ' ' CYS . 9.3 p -88.21 160.38 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.076 179.068 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.496 ' N ' HG22 ' A' ' 20' ' ' VAL . 1.3 t -124.83 118.23 25.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.417 0.627 . . . . 0.0 112.242 -179.495 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 24' ' ' TRP . 9.1 mtm180 -170.1 99.11 0.28 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.102 -0.954 . . . . 0.0 108.865 178.71 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 mt 68.04 -62.05 0.36 Allowed 'General case' 0 N--CA 1.463 0.175 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -178.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.425 ' N ' ' O ' ' A' ' 22' ' ' ARG . 0.9 OUTLIER -137.99 124.76 21.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.454 178.798 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -44.01 133.41 5.08 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.916 0.388 . . . . 0.0 111.538 -179.223 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.437 ' HA ' ' CD1' ' A' ' 5' ' ' TRP . 35.1 mtpt -126.79 170.53 12.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.442 ' HD2' ' CD1' ' A' ' 5' ' ' TRP . 0.0 OUTLIER -123.38 168.26 12.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.907 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.458 HD13 ' HA ' ' A' ' 28' ' ' ILE . 3.2 mm -41.68 149.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 121.166 0.508 . . . . 0.0 112.072 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.3 mp -140.95 115.68 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.17 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -141.85 161.23 38.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 7.8 ttt . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.934 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.468 ' CZ ' ' HG2' ' A' ' 14' ' ' LYS . 1.5 p90 . . . . . 0 N--CA 1.488 1.473 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.475 ' HB2' ' CA ' ' A' ' 16' ' ' CYS . 36.7 t 63.07 127.68 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.116 0.484 . . . . 0.0 111.061 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -82.16 -80.96 0.15 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.107 179.541 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.531 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 175.19 63.65 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.18 0.514 . . . . 0.0 110.94 179.214 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.409 ' CE3' ' HG2' ' A' ' 6' ' ' MET . 32.2 t90 59.7 152.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.363 179.502 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.443 ' N ' ' HB2' ' A' ' 25' ' ' CYS . 3.3 ptt? 39.83 68.43 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.787 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.507 ' CD1' ' HG3' ' A' ' 13' ' ' ARG . 0.6 OUTLIER -118.73 152.62 35.81 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 178.173 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.452 ' O ' ' CE2' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -52.12 114.45 1.33 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.807 0.337 . . . . 0.0 111.815 -179.676 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.9 t -91.78 135.73 33.69 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.225 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -161.69 -164.82 1.16 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.023 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -49.9 -36.64 28.14 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.892 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -138.32 99.42 3.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.691 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.507 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -105.83 157.02 17.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.635 -179.874 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.468 ' HG2' ' CZ ' ' A' ' 1' ' ' TYR . 2.2 mptt -92.37 -32.66 14.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.259 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.464 ' HB2' ' CD ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -30.56 146.93 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.125 -179.656 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.475 ' CA ' ' HB2' ' A' ' 2' ' ' CYS . 0.1 OUTLIER -70.92 160.74 32.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.837 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -64.77 -13.49 55.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.151 -179.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.67 39.92 3.08 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.466 -0.874 . . . . 0.0 112.84 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.529 HD13 ' SG ' ' A' ' 25' ' ' CYS . 25.1 mt -151.97 154.25 35.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 0.0 110.971 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.6 t -88.9 153.8 3.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.944 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.45 107.63 18.74 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.113 0.483 . . . . 0.0 111.817 -179.446 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.446 ' O ' ' HB2' ' A' ' 23' ' ' LEU . 1.4 ttt-85 -170.03 99.36 0.29 Allowed 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.556 179.218 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.511 HD22 ' N ' ' A' ' 23' ' ' LEU . 3.0 mm? 67.84 -60.99 0.39 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.308 -178.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.427 ' N ' ' O ' ' A' ' 22' ' ' ARG . 6.1 p90 -154.78 138.89 16.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.876 179.237 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.529 ' SG ' HD13 ' A' ' 19' ' ' LEU . 1.2 m -41.42 127.9 3.02 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.907 0.384 . . . . 0.0 111.678 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -113.52 149.03 34.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.825 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.44 -178.74 3.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.651 HD13 ' H ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -140.27 138.78 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.512 HD12 ' N ' ' A' ' 29' ' ' ILE . 3.7 mp -111.33 135.74 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.11 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 62.81 -79.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.075 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 9.7 ttm . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.219 -0.895 . . . . 0.0 110.946 179.938 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.49 ' CE2' ' CG ' ' A' ' 14' ' ' LYS . 1.5 p90 . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.2 t 62.42 135.18 0.01 OUTLIER 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 120.907 0.384 . . . . 0.0 111.485 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.467 ' O ' ' CB ' ' A' ' 4' ' ' LYS . 0.7 OUTLIER -70.06 -77.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 178.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.565 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 157.37 58.67 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.157 0.503 . . . . 0.0 110.901 178.592 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.435 ' CD2' ' HG3' ' A' ' 6' ' ' MET . 23.9 t90 59.91 144.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.62 179.416 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.435 ' HG3' ' CD2' ' A' ' 5' ' ' TRP . 9.5 mtp 55.29 47.7 20.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.943 179.461 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.947 ' CH2' HG22 ' A' ' 8' ' ' THR . 1.0 OUTLIER -114.4 137.17 52.17 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 178.616 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.947 HG22 ' CH2' ' A' ' 7' ' ' TRP . 0.6 OUTLIER -41.18 148.6 0.12 Allowed 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -178.338 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.465 ' SG ' ' HG2' ' A' ' 13' ' ' ARG . 4.1 t -111.17 164.49 12.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.101 179.44 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -177.64 -170.5 0.27 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.441 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -49.91 -30.47 10.25 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.048 0.451 . . . . 0.0 110.657 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -157.31 99.71 1.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.06 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.675 ' HD2' ' HB2' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -119.59 148.37 43.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.141 0.496 . . . . 0.0 111.495 -179.05 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.49 ' CG ' ' CE2' ' A' ' 1' ' ' TYR . 0.1 OUTLIER -41.94 -92.41 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.185 -179.696 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.675 ' HB2' ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 58.68 164.35 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.863 0.363 . . . . 0.0 110.373 -179.169 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.997 ' H ' HD12 ' A' ' 19' ' ' LEU . 11.1 m -102.6 174.55 5.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.497 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -57.65 -20.59 34.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.695 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.35 65.24 0.45 Allowed Glycine 0 CA--C 1.518 0.256 0 C-N-CA 120.455 -0.879 . . . . 0.0 113.401 -179.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.997 HD12 ' H ' ' A' ' 16' ' ' CYS . 95.6 mt -151.06 140.85 21.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.867 0.365 . . . . 0.0 111.252 179.496 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -92.93 -169.97 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.499 179.761 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.486 ' H ' HG12 ' A' ' 20' ' ' VAL . 54.1 t -125.66 113.22 17.08 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.181 0.515 . . . . 0.0 112.157 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 24' ' ' TRP . 7.9 mtt180 -170.38 98.39 0.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.098 178.24 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.9 mt 66.71 -60.51 0.34 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.329 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.459 ' N ' ' O ' ' A' ' 22' ' ' ARG . 1.2 p90 -148.2 152.74 37.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.163 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.908 ' HB3' HD13 ' A' ' 19' ' ' LEU . 96.0 m -42.92 124.07 3.0 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.844 0.354 . . . . 0.0 111.399 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.544 ' O ' HG23 ' A' ' 20' ' ' VAL . 6.6 mtmt -134.23 139.95 46.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.799 ' HB3' HD23 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -135.77 154.01 51.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.738 ' O ' HD12 ' A' ' 28' ' ' ILE . 2.7 pp -140.99 130.58 25.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.592 HD12 ' C ' ' A' ' 28' ' ' ILE . 3.5 mp -145.42 109.44 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.15 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -138.07 -67.16 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.7 ttt . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.247 -0.883 . . . . 0.0 110.922 -179.998 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.421 ' CE1' ' HD2' ' A' ' 14' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 120.799 0.333 . . . . 0.0 111.139 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 3.4 m 74.16 103.86 0.07 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.318 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.576 ' O ' ' CB ' ' A' ' 4' ' ' LYS . 0.6 OUTLIER -56.46 -48.87 76.18 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.011 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.576 ' CB ' ' O ' ' A' ' 3' ' ' GLN . 0.0 OUTLIER 130.81 65.36 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.951 178.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.43 ' CE2' ' HG3' ' A' ' 6' ' ' MET . 38.4 t90 59.23 146.09 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.029 179.147 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.43 ' HG3' ' CE2' ' A' ' 5' ' ' TRP . 5.0 mtm 41.75 65.22 0.9 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.814 179.234 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.665 ' CD1' ' HD2' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -118.41 130.79 56.18 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 178.714 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -39.68 121.41 1.24 Allowed 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -178.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.631 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -85.57 160.38 19.65 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 179.361 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -176.13 -160.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.462 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -49.99 -28.34 6.76 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.856 0.36 . . . . 0.0 111.112 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.6 pm0 -153.41 100.66 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.622 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.665 ' HD2' ' CD1' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -100.75 109.85 21.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.819 -179.706 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 3' ' ' GLN . 14.6 mmtt -71.57 61.99 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.105 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.563 ' HB2' ' CG ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -109.37 149.52 29.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.015 179.556 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -61.86 157.54 18.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.937 0.398 . . . . 0.0 110.852 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -65.9 -11.53 47.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.284 -178.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.405 ' C ' ' HG ' ' A' ' 19' ' ' LEU . . . -91.12 34.48 4.26 Favored Glycine 0 CA--C 1.517 0.178 0 C-N-CA 120.375 -0.917 . . . . 0.0 112.931 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.542 HD13 ' SG ' ' A' ' 25' ' ' CYS . 11.6 mt -148.06 161.96 40.34 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.764 0.316 . . . . 0.0 111.135 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.415 ' O ' ' NH2' ' A' ' 13' ' ' ARG . 21.3 t -110.84 145.89 16.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.93 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.525 ' HA ' ' NH2' ' A' ' 13' ' ' ARG . 49.3 t -87.14 110.7 20.31 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.047 0.451 . . . . 0.0 112.022 -179.388 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 24' ' ' TRP . 4.1 mtp180 -170.17 98.85 0.28 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.223 178.645 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.498 HD12 ' CZ3' ' A' ' 24' ' ' TRP . 1.6 mm? 67.14 -60.8 0.36 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.256 -178.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.498 ' CZ3' HD12 ' A' ' 23' ' ' LEU . 2.6 p90 -158.19 136.93 11.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.928 179.387 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.542 ' SG ' HD13 ' A' ' 19' ' ' LEU . 1.2 m -41.71 116.73 0.82 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.031 0.443 . . . . 0.0 111.885 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -118.93 148.35 43.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.735 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.58 142.51 48.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.434 ' CG2' ' N ' ' A' ' 29' ' ' ILE . 3.7 mm -46.06 156.29 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.136 0.493 . . . . 0.0 111.628 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.434 ' N ' ' CG2' ' A' ' 28' ' ' ILE . 37.1 mm -51.0 100.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.307 -179.613 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -158.97 -175.92 5.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.402 ' CE2' ' O ' ' A' ' 13' ' ' ARG . 1.2 t80 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.804 0.335 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.9 m 70.63 97.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.705 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.599 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 3.2 mt-30 -70.15 -65.63 0.7 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.729 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.599 ' HD3' ' HB3' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -175.94 34.12 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 179.617 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.428 ' CE3' ' HG2' ' A' ' 6' ' ' MET . 1.0 OUTLIER 65.46 161.37 0.13 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.815 0.34 . . . . 0.0 110.256 -179.831 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.556 ' HA ' ' N ' ' A' ' 25' ' ' CYS . 21.4 ptt? 45.9 46.19 12.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.601 -179.501 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.548 ' CE3' ' NE2' ' A' ' 3' ' ' GLN . 1.1 t-105 -94.25 154.64 17.43 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 121.031 0.443 . . . . 0.0 110.923 179.764 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.514 ' O ' ' CE2' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -59.74 108.02 0.68 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.19 -179.881 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.559 ' HA ' ' NH1' ' A' ' 13' ' ' ARG . 49.4 t -58.32 134.0 56.19 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.729 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -165.57 -164.98 0.78 Allowed 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.428 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -49.77 -28.07 5.76 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.815 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -138.91 98.93 3.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.03 0.443 . . . . 0.0 111.209 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.559 ' NH1' ' HA ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -71.84 99.8 2.27 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.599 179.498 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -57.62 -60.99 2.84 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.953 -179.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 p -41.0 145.59 0.2 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.079 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -44.79 139.62 2.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.852 -179.028 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.78 -26.86 48.14 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.536 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -51.34 -24.62 10.82 Favored Glycine 0 CA--C 1.518 0.22 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.198 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.78 HD13 ' HB3' ' A' ' 25' ' ' CYS . 6.9 mt -88.99 -175.63 4.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.477 0.179 . . . . 0.0 110.667 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.2 t -115.07 151.51 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-O 120.745 0.307 . . . . 0.0 111.704 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.452 ' SG ' ' HD2' ' A' ' 13' ' ' ARG . 0.6 OUTLIER -95.96 99.78 11.53 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.414 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.435 HH21 HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -170.33 99.49 0.27 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.886 179.42 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.736 HD12 ' CE3' ' A' ' 24' ' ' TRP . 0.2 OUTLIER 70.34 -61.6 0.46 Allowed 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -178.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.736 ' CE3' HD12 ' A' ' 23' ' ' LEU . 9.0 p90 -157.4 136.08 11.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.856 179.138 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.78 ' HB3' HD13 ' A' ' 19' ' ' LEU . 1.1 m -45.68 112.71 0.49 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.908 0.385 . . . . 0.0 111.405 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.452 ' O ' HD23 ' A' ' 19' ' ' LEU . 10.6 ttpt -105.02 142.3 35.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.94 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.47 160.15 16.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.946 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.562 ' O ' HD12 ' A' ' 28' ' ' ILE . 1.1 pp -52.16 163.35 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.397 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.49 HG22 ' N ' ' A' ' 30' ' ' ASN . 33.1 mm -68.14 158.64 5.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.044 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.49 ' N ' HG22 ' A' ' 29' ' ' ILE . 3.9 m120 -59.81 101.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.6 t80 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.809 0.338 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 20.6 m 69.84 101.03 0.06 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -79.36 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 120.776 0.322 . . . . 0.0 110.358 179.656 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.485 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 175.75 52.53 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.967 0.413 . . . . 0.0 111.397 179.289 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.553 ' HD1' HD21 ' A' ' 19' ' ' LEU . 48.5 t90 60.39 157.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.258 0.552 . . . . 0.0 111.614 179.09 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.465 ' HB2' ' CD2' ' A' ' 5' ' ' TRP . 2.6 tmm? 46.55 27.16 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.576 179.532 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.924 ' CZ2' HG22 ' A' ' 8' ' ' THR . 1.6 t-105 -85.04 154.2 22.24 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 178.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.924 HG22 ' CZ2' ' A' ' 7' ' ' TRP . 0.4 OUTLIER -49.16 154.95 0.73 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.028 0.442 . . . . 0.0 111.689 -179.683 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.5 t -144.92 144.72 31.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.941 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -165.26 -85.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.817 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -101.56 -50.25 3.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.014 0.435 . . . . 0.0 110.208 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.51 99.57 3.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.795 179.385 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.489 HH22 ' HA ' ' A' ' 21' ' ' CYS . 1.9 ptp85 -84.41 -170.03 2.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.361 -179.401 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.508 ' HD3' ' CE2' ' A' ' 7' ' ' TRP . 0.7 OUTLIER -115.99 -63.4 1.46 Allowed 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -178.774 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 0.8 OUTLIER -32.92 143.76 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.87 0.367 . . . . 0.0 111.127 -178.269 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.5 m -45.17 140.88 2.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.913 -178.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.19 -24.4 4.21 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.213 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -49.78 -24.54 6.11 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.612 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.553 HD21 ' HD1' ' A' ' 5' ' ' TRP . 1.4 mt -94.49 135.3 36.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.653 0.263 . . . . 0.0 111.235 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 26' ' ' LYS . 27.7 m -68.12 161.81 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.907 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.489 ' HA ' HH22 ' A' ' 13' ' ' ARG . 49.0 t -105.39 115.04 29.59 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.404 0.621 . . . . 0.0 112.345 -179.387 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 24' ' ' TRP . 1.5 mtt85 -170.39 99.03 0.26 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.151 -0.931 . . . . 0.0 108.964 178.735 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.46 ' HA ' HD23 ' A' ' 23' ' ' LEU . 6.0 mt 67.86 -62.01 0.36 Allowed 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -178.324 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.429 ' N ' ' O ' ' A' ' 22' ' ' ARG . 1.9 p90 -141.71 -173.82 3.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.652 178.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.457 ' HB3' HD22 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -86.54 112.93 22.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.958 0.409 . . . . 0.0 111.102 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.552 ' O ' HG22 ' A' ' 20' ' ' VAL . 14.1 ptmt -124.7 130.21 51.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.927 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.446 ' CZ ' ' CD1' ' A' ' 5' ' ' TRP . 5.5 mpt_? -67.11 -178.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.834 ' O ' HD12 ' A' ' 28' ' ' ILE . 2.6 pp -128.27 148.43 32.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.474 HG22 ' N ' ' A' ' 30' ' ' ASN . 30.6 mm -95.35 158.75 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.061 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.474 ' N ' HG22 ' A' ' 29' ' ' ILE . 3.7 p30 -154.21 -178.22 6.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.833 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 51.9 ttp . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.89 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.414 ' HA ' ' N ' ' A' ' 15' ' ' CYS . 4.6 t . . . . . 0 N--CA 1.462 0.152 0 CA-C-O 120.889 0.376 . . . . 0.0 111.363 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -105.14 -75.8 0.62 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.873 178.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.56 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 170.36 54.55 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.122 0.487 . . . . 0.0 111.204 179.028 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 49.4 t90 56.75 158.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.459 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.437 ' HG3' ' CD1' ' A' ' 24' ' ' TRP . 3.2 ttp 40.78 32.15 0.15 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.692 -0.686 . . . . 0.0 112.044 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.436 ' CD1' ' HG3' ' A' ' 13' ' ' ARG . 1.0 OUTLIER -84.79 145.16 28.02 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 120.794 0.33 . . . . 0.0 110.236 179.618 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -44.08 127.74 5.56 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.411 0.522 . . . . 0.0 112.411 -179.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.46 ' HA ' ' CD ' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -91.81 141.56 28.53 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.869 179.517 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -159.93 -171.99 3.46 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.759 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -49.84 -50.09 46.73 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 121.129 0.49 . . . . 0.0 110.081 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -131.45 99.05 4.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.067 178.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.46 ' CD ' ' HA ' ' A' ' 9' ' ' CYS . 0.4 OUTLIER -114.17 150.48 34.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.67 -178.867 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -62.22 -114.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.747 178.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.414 ' N ' ' HA ' ' A' ' 2' ' ' CYS . 0.9 OUTLIER 60.62 135.89 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.943 0.402 . . . . 0.0 111.338 179.275 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 35.4 m -66.79 156.69 34.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.812 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.04 -20.69 26.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.773 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.87 46.47 3.11 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.6 -0.809 . . . . 0.0 112.947 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 50.8 mt -154.86 138.42 16.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.793 0.33 . . . . 0.0 111.069 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.496 HG22 ' N ' ' A' ' 21' ' ' CYS . 10.3 p -82.49 160.55 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.32 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.496 ' N ' HG22 ' A' ' 20' ' ' VAL . 49.7 t -113.54 114.44 26.51 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.198 0.523 . . . . 0.0 112.055 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -170.08 99.13 0.29 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.207 179.072 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.7 mt 69.88 -62.39 0.42 Allowed 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -178.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.437 ' CD1' ' HG3' ' A' ' 6' ' ' MET . 2.8 p90 -152.46 138.52 18.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.62 179.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.431 ' HB2' ' N ' ' A' ' 6' ' ' MET . 1.2 m -44.7 120.5 2.31 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.942 0.401 . . . . 0.0 111.676 -179.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -117.17 142.11 47.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.817 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.935 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.621 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 61.1 m . . . . . 0 N--CA 1.467 0.386 0 CA-C-O 121.249 0.547 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -85.19 149.95 25.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.342 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.59 127.89 19.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.613 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.638 ' CB ' HD22 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -45.86 168.23 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.096 -179.641 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.476 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 3.8 ttp 88.09 -48.31 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.412 -179.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 13' ' ' ARG . 3.8 t90 -43.44 165.15 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -44.83 143.15 1.52 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.41 -0.813 . . . . 0.0 112.628 -179.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.495 ' HA ' ' CG ' ' A' ' 13' ' ' ARG . 4.4 t -126.68 137.22 53.25 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.164 179.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -144.35 -165.78 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.012 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.66 -30.81 14.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.999 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.23 99.69 3.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.495 ' CG ' ' HA ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -88.35 167.61 13.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.924 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.621 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 2.5 mptp? -92.42 -39.94 11.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.579 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.3 p -40.55 133.17 2.0 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.293 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 m -48.0 155.09 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.266 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -57.44 -20.65 31.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.494 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -53.04 -23.34 15.79 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.821 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.834 HD23 ' HA ' ' A' ' 27' ' ' ARG . 0.4 OUTLIER -118.85 128.2 54.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.836 0.35 . . . . 0.0 111.079 -179.817 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.4 m -58.58 -177.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.758 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.6 t -140.9 118.91 11.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.168 0.509 . . . . 0.0 111.955 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -168.84 99.32 0.39 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.272 -0.877 . . . . 0.0 109.298 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.42 HD12 ' CZ3' ' A' ' 24' ' ' TRP . 0.2 OUTLIER 72.93 -56.74 0.65 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -178.347 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.42 ' CZ3' HD12 ' A' ' 23' ' ' LEU . 1.4 p90 -144.66 120.04 10.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.558 178.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.451 ' HB2' ' NH2' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -41.91 99.76 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.978 0.418 . . . . 0.0 111.649 -179.106 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -88.63 137.8 31.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.998 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.834 ' HA ' HD23 ' A' ' 19' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.483 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 3.8 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.799 0.333 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.449 ' HB2' ' CD1' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -58.84 -81.07 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.647 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.583 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 172.89 59.18 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.177 0.513 . . . . 0.0 110.624 179.464 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.793 ' CD1' HD21 ' A' ' 19' ' ' LEU . 1.3 m-90 56.26 161.79 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.394 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.534 ' N ' ' HB2' ' A' ' 25' ' ' CYS . 17.9 mtp 37.05 30.17 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.698 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.515 ' CZ3' ' CG2' ' A' ' 8' ' ' THR . 0.0 OUTLIER -88.17 123.96 33.34 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.856 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.515 ' CG2' ' CZ3' ' A' ' 7' ' ' TRP . 12.2 t -47.13 139.5 5.9 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.473 ' N ' ' NH1' ' A' ' 13' ' ' ARG . 11.9 t -78.11 157.29 29.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.233 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.6 p-10 -157.05 -162.25 1.2 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.619 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -49.9 -27.87 5.83 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.975 0.416 . . . . 0.0 110.392 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -155.62 99.68 2.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.368 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.617 ' CD ' ' HB2' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -68.38 99.66 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.183 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 2.9 mptp? -53.98 -30.28 46.43 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.363 -179.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.634 ' SG ' HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -34.27 150.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.87 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 m -68.72 157.44 36.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.547 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 pm0 -55.34 -21.16 13.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.775 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.45 -21.67 28.23 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.822 -0.704 . . . . 0.0 113.214 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.793 HD21 ' CD1' ' A' ' 5' ' ' TRP . 0.7 OUTLIER -119.94 165.99 13.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.895 0.379 . . . . 0.0 111.499 -179.498 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.8 m -109.99 179.87 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.88 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.2 t -106.39 107.62 18.73 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-O 121.316 0.579 . . . . 0.0 111.878 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 24' ' ' TRP . 9.6 mtm-85 -170.39 98.34 0.26 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.328 -0.851 . . . . 0.0 108.889 178.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.617 HD12 ' CE3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER 67.12 -61.2 0.35 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.46 -178.834 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.617 ' CE3' HD12 ' A' ' 23' ' ' LEU . 3.3 p90 -155.02 147.48 24.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.959 179.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.603 ' HB3' HD13 ' A' ' 19' ' ' LEU . 29.1 m -42.65 116.53 0.88 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.851 0.358 . . . . 0.0 111.571 -179.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -123.92 108.85 12.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.559 ' N ' HD23 ' A' ' 19' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.494 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 44.7 t . . . . . 0 CA--C 1.523 -0.07 0 CA-C-O 121.222 0.534 . . . . 0.0 111.495 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.413 ' OE1' ' CD1' ' A' ' 7' ' ' TRP . 0.9 OUTLIER -91.32 -173.49 3.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.105 179.119 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.444 ' HA ' ' HE2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -97.23 74.59 2.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.035 0.445 . . . . 0.0 111.741 -179.386 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.951 ' CE2' HD21 ' A' ' 19' ' ' LEU . 1.2 m-90 53.67 172.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.175 178.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.538 ' N ' ' HB2' ' A' ' 25' ' ' CYS . 23.0 mtp 31.48 38.57 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 114.917 -1.038 . . . . 0.0 112.941 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.413 ' CD1' ' OE1' ' A' ' 3' ' ' GLN . 0.8 OUTLIER -90.51 142.34 27.84 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.792 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -40.19 120.4 1.19 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.895 0.379 . . . . 0.0 111.998 -179.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.433 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -100.85 153.82 19.16 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.686 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -168.8 -159.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.404 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -50.06 -27.21 5.25 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.859 0.362 . . . . 0.0 110.81 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -164.06 111.62 1.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.656 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.494 ' HD3' ' HB2' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -113.27 144.2 43.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.055 0.455 . . . . 0.0 111.012 179.9 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.494 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 3.6 mptt -61.69 -27.43 68.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.308 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.494 ' HB2' ' HD3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -33.69 150.7 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.17 -179.624 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.9 m -65.12 168.61 6.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.807 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -77.98 -2.29 36.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.857 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -95.73 28.51 12.19 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.481 -0.866 . . . . 0.0 112.676 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.951 HD21 ' CE2' ' A' ' 5' ' ' TRP . 16.3 mt -142.8 136.29 28.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.902 0.382 . . . . 0.0 111.396 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.6 t -77.24 137.68 21.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.498 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.453 ' HA ' ' NH2' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -86.21 106.88 17.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.99 0.424 . . . . 0.0 111.915 -179.239 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.12 99.15 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.801 179.078 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.661 HD12 ' CE3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER 68.92 -60.75 0.44 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.651 -179.224 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.661 ' CE3' HD12 ' A' ' 23' ' ' LEU . 3.5 p90 -151.34 146.54 26.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.224 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.695 ' HB3' HD13 ' A' ' 19' ' ' LEU . 12.5 m -58.27 117.41 4.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.0 0.428 . . . . 0.0 111.14 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.433 ' HG2' ' CD1' ' A' ' 24' ' ' TRP . 49.1 mtmt -113.52 145.6 40.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.435 ' HG3' ' CD1' ' A' ' 5' ' ' TRP . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.4 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.344 0.592 . . . . 0.0 111.782 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.449 ' O ' ' HB2' ' A' ' 4' ' ' LYS . 0.6 OUTLIER -106.72 -80.45 0.56 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.23 178.739 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.6 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 178.2 36.61 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.591 178.291 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.45 ' CD2' ' HG3' ' A' ' 6' ' ' MET . 30.8 t90 59.09 150.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.999 0.428 . . . . 0.0 111.214 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.469 ' O ' ' HB2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 66.45 -35.43 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 179.523 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.433 ' H ' ' C ' ' A' ' 5' ' ' TRP . 2.3 t90 -39.68 157.94 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.326 0.584 . . . . 0.0 112.456 -179.021 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.432 ' N ' ' CE3' ' A' ' 7' ' ' TRP . 0.2 OUTLIER -40.95 142.28 0.5 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.318 -0.856 . . . . 0.0 112.985 -178.797 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.401 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -123.15 124.9 44.1 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.497 179.346 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -136.52 -165.86 1.8 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.814 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.84 -27.3 7.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.958 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.89 99.81 1.24 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.788 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.478 ' CD ' ' HB2' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -113.46 -179.38 3.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.801 179.789 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.403 ' HB2' ' CG ' ' A' ' 3' ' ' GLN . 1.3 mptp? -80.51 -107.9 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.929 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.478 ' HB2' ' CD ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 59.5 125.64 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.917 0.389 . . . . 0.0 111.325 179.808 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.2 m -51.33 156.75 1.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.018 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -53.74 -23.12 10.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.795 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.83 47.27 2.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.84 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.413 HD13 ' SG ' ' A' ' 15' ' ' CYS . 90.5 mt -155.97 136.34 13.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.796 0.332 . . . . 0.0 111.312 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.8 m -82.47 169.96 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.247 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.2 t -131.02 122.83 27.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.404 0.621 . . . . 0.0 112.372 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 24' ' ' TRP . 10.3 mtt180 -170.35 99.24 0.27 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.234 178.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 23' ' ' LEU . 5.9 mt 68.51 -61.39 0.41 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.018 0.437 . . . . 0.0 109.929 -178.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.469 ' HB2' ' O ' ' A' ' 6' ' ' MET . 0.3 OUTLIER -146.97 126.42 13.19 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.828 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -40.23 144.96 0.18 Allowed 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.97 0.414 . . . . 0.0 111.754 -178.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -132.2 144.26 50.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.823 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.407 ' HD2' ' CZ2' ' A' ' 5' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 28.0 m . . . . . 0 N--CA 1.461 0.08 0 CA-C-O 120.723 0.297 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -86.47 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.709 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.468 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -179.66 58.05 0.01 OUTLIER 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.803 0.335 . . . . 0.0 111.689 179.576 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.726 ' HA ' HD13 ' A' ' 19' ' ' LEU . 33.1 t90 58.26 158.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.159 0.504 . . . . 0.0 111.788 178.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.542 ' N ' ' HB2' ' A' ' 25' ' ' CYS . 3.1 mmt 38.64 39.65 0.34 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.153 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.435 ' CD2' ' N ' ' A' ' 8' ' ' THR . 1.1 t-105 -93.1 153.23 18.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.8 0.333 . . . . 0.0 110.229 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.435 ' N ' ' CD2' ' A' ' 7' ' ' TRP . 0.2 OUTLIER -48.56 112.7 0.63 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.145 179.708 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -109.93 125.46 52.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.973 -179.83 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 2.0 m-20 155.32 -86.35 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.948 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -65.94 -50.11 65.56 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.943 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -135.32 99.42 4.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.094 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.436 ' NE ' ' HB2' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -92.67 123.21 35.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.348 179.552 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.468 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 0.4 OUTLIER -114.05 -50.83 2.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.746 -179.045 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.667 ' HB2' HD12 ' A' ' 19' ' ' LEU . 20.3 p -36.65 141.48 0.12 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.294 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.5 m -47.1 142.55 3.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.42 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -52.56 -23.52 6.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.848 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.73 -20.14 23.85 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.845 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.726 HD13 ' HA ' ' A' ' 5' ' ' TRP . 14.5 mt -97.78 141.63 30.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.893 0.378 . . . . 0.0 111.212 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 26' ' ' LYS . 21.2 t -66.07 161.8 3.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.183 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.508 ' N ' HG12 ' A' ' 20' ' ' VAL . 1.6 t -114.86 103.13 10.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.946 0.403 . . . . 0.0 111.584 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -170.26 99.37 0.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.855 179.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.5 mt 69.31 -61.12 0.44 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.925 0.393 . . . . 0.0 110.266 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -145.01 134.6 23.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.873 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.542 ' HB2' ' N ' ' A' ' 6' ' ' MET . 35.4 m -45.97 111.29 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.011 0.434 . . . . 0.0 111.568 -179.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.57 ' O ' HG23 ' A' ' 20' ' ' VAL . 16.3 mtmm -124.74 143.34 50.83 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.041 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.646 ' HG3' HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 3' ' ' GLN . 11.4 t . . . . . 0 CA--C 1.52 -0.2 0 CA-C-O 120.985 0.421 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 2' ' ' CYS . 6.0 mm100 -26.91 -71.33 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.832 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.5 146.84 0.08 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.796 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.432 ' CZ2' ' HG3' ' A' ' 6' ' ' MET . 7.4 t90 -45.66 145.84 1.25 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.459 ' HA ' ' HB2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 68.13 46.78 1.11 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.294 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.536 ' H ' ' HB2' ' A' ' 25' ' ' CYS . 1.5 t-105 -104.87 154.18 20.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.904 0.383 . . . . 0.0 110.721 179.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.466 ' N ' ' CD2' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -55.9 108.71 0.48 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.946 179.7 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.426 ' SG ' ' HG3' ' A' ' 13' ' ' ARG . 12.4 t -85.94 136.73 33.16 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 179.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -171.35 -161.0 0.19 Allowed 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.553 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -49.53 -31.49 10.39 Favored 'General case' 0 CA--C 1.522 -0.112 0 CA-C-O 120.987 0.423 . . . . 0.0 110.197 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -129.64 98.45 4.83 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.232 178.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.473 ' HD3' ' CD1' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -89.32 156.73 18.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.986 -179.852 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.421 ' HD3' ' NE1' ' A' ' 7' ' ' TRP . 8.9 mptt -116.56 -61.19 1.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.445 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.0 p -39.15 152.06 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.21 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.6 m -53.72 135.23 41.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.164 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -54.06 -24.46 17.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.649 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.87 -20.34 40.37 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.599 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.432 HD21 ' HG3' ' A' ' 27' ' ' ARG . 8.6 mt -92.76 132.46 36.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.706 0.288 . . . . 0.0 111.177 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.689 HG12 ' O ' ' A' ' 26' ' ' LYS . 10.9 p -56.3 161.83 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.189 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.519 ' N ' HG22 ' A' ' 20' ' ' VAL . 11.5 t -116.62 116.53 27.74 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.292 0.568 . . . . 0.0 112.225 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -170.2 98.19 0.27 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.006 -0.997 . . . . 0.0 108.777 178.123 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.595 HD12 ' CE3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER 66.24 -60.86 0.3 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.907 0.384 . . . . 0.0 110.229 -178.758 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.595 ' CE3' HD12 ' A' ' 23' ' ' LEU . 2.8 p90 -141.35 134.57 29.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.014 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.536 ' HB2' ' H ' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -42.37 130.81 3.8 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.865 0.364 . . . . 0.0 111.428 -179.236 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.689 ' O ' HG12 ' A' ' 20' ' ' VAL . 15.7 ttpt -134.78 160.6 37.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.432 ' HG3' HD21 ' A' ' 19' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.922 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 52.7 t . . . . . 0 CA--C 1.518 -0.255 0 CA-C-O 121.415 0.626 . . . . 0.0 111.032 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.413 ' N ' ' HA ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -59.07 -162.73 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.352 179.705 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.475 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -110.51 65.61 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.025 0.441 . . . . 0.0 111.651 -179.524 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.5 ' HD1' HD22 ' A' ' 19' ' ' LEU . 43.1 t90 55.91 163.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.521 178.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.471 ' N ' ' CG ' ' A' ' 5' ' ' TRP . 6.4 ptt? 47.7 38.01 7.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.58 -0.737 . . . . 0.0 112.142 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.519 ' CD1' ' HD3' ' A' ' 13' ' ' ARG . 1.7 t-105 -96.22 152.06 18.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.837 0.351 . . . . 0.0 110.478 179.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.43 ' N ' ' CD2' ' A' ' 7' ' ' TRP . 0.2 OUTLIER -53.11 124.81 15.42 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.129 -179.683 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.45 ' HA ' ' CD ' ' A' ' 13' ' ' ARG . 1.7 t -96.53 138.1 34.61 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.226 179.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.1 p-10 -163.78 -166.33 1.17 Allowed 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.46 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -49.57 -38.14 30.16 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 121.012 0.434 . . . . 0.0 110.207 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -128.88 98.5 4.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.149 178.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.519 ' HD3' ' CD1' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -83.38 168.94 16.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.435 -179.575 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.482 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 9.2 mptt -117.78 -53.75 2.38 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.611 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 24.7 p -44.83 166.59 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.142 0.496 . . . . 0.0 111.263 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 68.6 m -69.1 141.39 54.71 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.156 -178.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -50.09 -25.02 3.06 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.977 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.63 -18.94 25.69 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.848 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.5 HD22 ' HD1' ' A' ' 5' ' ' TRP . 4.5 mt -98.61 126.04 44.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.803 0.335 . . . . 0.0 111.325 -179.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.494 HG22 ' N ' ' A' ' 21' ' ' CYS . 11.2 p -58.12 159.74 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.494 ' N ' HG22 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -106.97 107.59 18.69 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.03 0.443 . . . . 0.0 112.008 -179.518 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.02 98.95 0.29 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.548 178.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.9 mt 68.04 -60.39 0.41 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.771 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 31.8 p90 -144.25 148.0 34.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.359 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.424 ' SG ' ' NE ' ' A' ' 13' ' ' ARG . 17.4 m -55.44 121.53 9.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.877 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.459 ' HB3' HG12 ' A' ' 20' ' ' VAL . 1.6 ttmm -115.57 145.76 42.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.013 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.5 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 38.1 m . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.742 0.306 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.98 157.15 19.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.398 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.402 ' CE ' ' HA ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -76.15 62.89 1.77 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.516 -179.403 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.468 ' CE3' ' HB2' ' A' ' 6' ' ' MET . 53.5 t90 57.03 164.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.231 0.539 . . . . 0.0 111.355 179.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.474 ' N ' ' HB3' ' A' ' 25' ' ' CYS . 13.5 ttt 54.32 33.44 18.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.827 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.929 ' CH2' HG22 ' A' ' 8' ' ' THR . 1.2 t-105 -98.11 143.87 28.19 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.929 HG22 ' CH2' ' A' ' 7' ' ' TRP . 0.7 OUTLIER -51.83 151.98 3.19 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.022 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -105.93 143.24 34.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.52 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -161.11 -167.47 1.81 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.82 0.343 . . . . 0.0 110.963 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.4 -33.17 42.45 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.295 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -142.44 99.53 3.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.323 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.47 ' HD2' ' CD1' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -88.21 122.59 31.92 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.646 -179.646 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.5 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 0.3 OUTLIER -54.53 -41.53 69.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.397 -179.687 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.507 ' SG ' HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -36.81 142.31 0.1 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.775 -179.591 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 m -64.63 154.43 36.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -57.97 -20.91 41.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.469 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.56 -20.2 37.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.931 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.824 HD13 ' SG ' ' A' ' 25' ' ' CYS . 1.6 mt -110.35 159.0 17.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.732 0.301 . . . . 0.0 111.154 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 21' ' ' CYS . 21.4 t -93.47 155.07 3.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.148 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.455 ' HB2' ' NH1' ' A' ' 13' ' ' ARG . 50.8 t -103.32 119.25 38.52 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.119 0.485 . . . . 0.0 111.975 -179.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -169.94 99.05 0.3 Allowed 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.467 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.6 mt 69.1 -61.63 0.42 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.986 0.422 . . . . 0.0 110.141 -178.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.8 p90 -147.62 152.81 38.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.009 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.824 ' SG ' HD13 ' A' ' 19' ' ' LEU . 1.8 t -53.76 108.67 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.844 0.354 . . . . 0.0 110.762 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.42 170.03 8.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.432 ' N ' ' CD ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.083 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.475 ' HA ' ' CA ' ' A' ' 15' ' ' CYS . 48.1 t . . . . . 0 CA--C 1.522 -0.127 0 CA-C-O 121.132 0.491 . . . . 0.0 111.148 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.35 -77.35 0.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.813 179.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.553 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 167.61 52.61 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.608 179.044 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.436 ' CH2' ' HG3' ' A' ' 6' ' ' MET . 42.2 t90 60.9 151.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.244 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.436 ' HG3' ' CH2' ' A' ' 5' ' ' TRP . 0.3 OUTLIER 54.87 38.67 30.72 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.358 179.237 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.437 ' HD1' ' NH1' ' A' ' 13' ' ' ARG . 1.5 t-105 -101.91 149.18 24.47 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.921 0.391 . . . . 0.0 110.189 178.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.404 ' O ' ' CE2' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -53.22 125.92 19.21 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -179.011 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 m -76.12 155.04 35.04 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 -158.65 -174.54 4.83 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.474 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -49.67 -37.79 30.0 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 121.383 0.611 . . . . 0.0 109.536 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -130.19 98.53 4.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.127 178.07 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.589 ' NH1' ' HB2' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -76.06 149.66 37.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.469 -179.036 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.21 -94.05 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.815 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.589 ' HB2' ' NH1' ' A' ' 13' ' ' ARG . 0.8 OUTLIER 45.66 -172.19 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.062 0.458 . . . . 0.0 111.225 -179.658 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.4 m -104.01 166.89 10.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.431 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -55.6 -18.7 8.23 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -178.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.48 ' O ' HD23 ' A' ' 19' ' ' LEU . . . -102.59 53.49 0.77 Allowed Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.187 -1.006 . . . . 0.0 113.872 -178.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.48 HD23 ' O ' ' A' ' 18' ' ' GLY . 91.6 mt -157.64 165.11 36.35 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 117.204 0.502 . . . . 0.0 111.485 179.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.559 HG12 ' O ' ' A' ' 26' ' ' LYS . 13.3 p -118.32 163.53 15.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.062 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.531 ' N ' HG22 ' A' ' 20' ' ' VAL . 42.4 t -107.21 114.89 29.22 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -179.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -170.26 98.47 0.27 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.044 178.33 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.648 HD12 ' CE3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER 66.15 -61.67 0.28 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.181 0.515 . . . . 0.0 109.859 -178.549 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.648 ' CE3' HD12 ' A' ' 23' ' ' LEU . 3.9 p90 -151.61 140.86 21.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.296 178.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -44.91 126.29 5.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.926 0.393 . . . . 0.0 111.614 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.559 ' O ' HG12 ' A' ' 20' ' ' VAL . 20.1 ttpt -138.21 133.56 33.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.858 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.428 ' HD3' ' CD1' ' A' ' 5' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.6 t . . . . . 0 C--O 1.231 0.082 0 CA-C-O 121.133 0.492 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -106.45 -75.97 0.62 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.474 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.457 ' O ' ' HB3' ' A' ' 7' ' ' TRP . 0.0 OUTLIER 173.48 150.83 0.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.486 179.775 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.441 ' CG ' ' N ' ' A' ' 6' ' ' MET . 52.8 t90 -38.8 159.48 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.246 0.546 . . . . 0.0 111.978 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.441 ' N ' ' CG ' ' A' ' 5' ' ' TRP . 1.9 ptt? 50.4 21.84 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.211 -0.904 . . . . 0.0 112.475 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.799 ' CZ3' HG22 ' A' ' 8' ' ' THR . 0.7 OUTLIER -74.51 134.9 42.2 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.577 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.799 HG22 ' CZ3' ' A' ' 7' ' ' TRP . 14.6 t -58.54 137.3 57.5 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.183 0.516 . . . . 0.0 112.379 -178.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.59 ' HB3' ' HD2' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -126.4 160.9 29.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.608 -179.742 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -172.99 -86.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.071 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -93.89 -47.71 6.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.92 0.39 . . . . 0.0 110.59 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -137.79 99.48 3.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.304 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.59 ' HD2' ' HB3' ' A' ' 9' ' ' CYS . 2.1 ttt-85 -102.16 115.4 30.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.381 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -55.17 -98.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.504 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 49.54 -177.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.0 m -107.58 173.67 6.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.082 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -69.83 -8.27 47.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.155 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -92.44 25.13 19.61 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.947 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.617 HD13 ' SG ' ' A' ' 25' ' ' CYS . 21.6 mt -147.67 176.98 9.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.603 0.239 . . . . 0.0 110.879 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.572 HG12 ' H ' ' A' ' 21' ' ' CYS . 0.6 OUTLIER -126.02 176.36 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-O 120.781 0.324 . . . . 0.0 111.631 -179.335 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.572 ' H ' HG12 ' A' ' 20' ' ' VAL . 6.2 t -113.81 109.23 18.21 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.073 0.463 . . . . 0.0 111.49 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 24' ' ' TRP . 8.4 mtm-85 -170.25 98.6 0.27 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.172 178.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.631 HD12 ' CE3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER 67.51 -61.22 0.36 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.933 0.397 . . . . 0.0 110.027 -178.669 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.631 ' CE3' HD12 ' A' ' 23' ' ' LEU . 3.7 p90 -148.81 143.68 26.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.93 179.23 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.617 ' SG ' HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -44.13 108.64 0.12 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.936 0.398 . . . . 0.0 111.342 -179.58 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -87.94 148.81 24.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.042 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.9 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.047 0.451 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -116.28 -73.96 0.63 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.315 179.864 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.455 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 171.68 137.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.647 179.54 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.461 ' HA ' ' HB3' ' A' ' 25' ' ' CYS . 84.4 t90 -51.6 145.89 8.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.212 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.442 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 0.0 OUTLIER 85.33 -42.2 0.06 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.218 179.31 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.6 ' HB3' HH21 ' A' ' 13' ' ' ARG . 1.9 t90 -42.64 162.72 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -178.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.406 ' N ' ' CE3' ' A' ' 7' ' ' TRP . 0.2 OUTLIER -48.34 143.1 4.97 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 114.933 -1.031 . . . . 0.0 113.644 -178.792 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.591 ' HA ' ' HD2' ' A' ' 13' ' ' ARG . 8.6 t -127.12 136.41 52.09 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.485 178.062 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -148.85 -159.22 1.01 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.475 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -49.7 -49.53 47.34 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.08 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -131.98 98.69 4.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.049 0.452 . . . . 0.0 111.132 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.6 HH21 ' HB3' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -96.94 169.15 10.03 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.986 179.763 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 3' ' ' GLN . 14.9 mmtp -122.77 62.06 0.99 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.393 179.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.518 ' HB3' ' HB2' ' A' ' 19' ' ' LEU . 21.7 m -82.15 165.94 20.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.283 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.509 ' H ' HD12 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -70.83 175.19 5.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.859 0.361 . . . . 0.0 110.7 179.627 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -63.43 -14.68 53.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.092 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.517 ' O ' HD23 ' A' ' 19' ' ' LEU . . . -125.79 59.56 0.65 Allowed Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.336 -0.935 . . . . 0.0 113.145 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.694 HD22 ' O ' ' A' ' 26' ' ' LYS . 78.8 mt -156.3 145.18 20.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 0.0 111.114 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.469 HG12 ' N ' ' A' ' 21' ' ' CYS . 5.8 t -100.57 164.54 2.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.56 179.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.469 ' N ' HG12 ' A' ' 20' ' ' VAL . 1.6 t -117.57 118.54 32.43 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.321 0.582 . . . . 0.0 112.083 -179.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.4 ' O ' ' HB2' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -170.0 99.13 0.29 Allowed 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.148 -0.933 . . . . 0.0 108.962 178.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 5.7 mt 69.74 -56.81 0.56 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.003 0.43 . . . . 0.0 109.848 -178.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -139.63 143.01 37.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.697 178.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.531 ' SG ' HD13 ' A' ' 19' ' ' LEU . 7.9 t -46.56 103.62 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 110.916 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.694 ' O ' HD22 ' A' ' 19' ' ' LEU . 6.0 ttpt -61.97 167.86 3.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.112 -179.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.439 ' HA ' ' CA ' ' A' ' 15' ' ' CYS . 3.7 m . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.713 0.292 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.47 ' HG3' ' CD2' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -49.96 -77.67 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.537 179.761 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.617 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 167.24 51.68 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.185 0.517 . . . . 0.0 111.257 178.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.413 ' HD1' HD22 ' A' ' 19' ' ' LEU . 36.3 t90 56.92 155.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.194 178.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.433 ' HG2' ' CD1' ' A' ' 24' ' ' TRP . 11.7 mtt 39.85 28.64 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.034 -0.985 . . . . 0.0 113.349 179.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.589 ' CE3' HG22 ' A' ' 8' ' ' THR . 2.8 p-90 -87.43 172.54 9.73 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.151 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.589 HG22 ' CE3' ' A' ' 7' ' ' TRP . 7.5 t -71.71 130.28 40.76 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -177.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.479 ' HB2' ' NH2' ' A' ' 13' ' ' ARG . 36.8 t -78.89 147.66 33.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.665 -1.152 . . . . 0.0 110.701 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.8 p-10 -152.7 -171.13 3.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.041 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -49.91 -33.17 16.53 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.962 0.41 . . . . 0.0 110.536 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -142.15 99.37 3.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.308 179.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.578 ' CD ' ' HB2' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -77.48 111.74 13.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.107 -179.586 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 2.0 mptp? -57.66 -23.87 53.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.963 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.578 ' HB2' ' CD ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -33.93 152.4 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.928 179.888 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 m -68.54 -179.69 1.44 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.487 179.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -79.95 5.33 14.23 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -106.93 28.06 14.27 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.376 -0.916 . . . . 0.0 113.263 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.413 HD22 ' HD1' ' A' ' 5' ' ' TRP . 22.8 mt -147.03 167.18 24.68 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.982 0.391 . . . . 0.0 111.396 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.47 HG12 ' N ' ' A' ' 21' ' ' CYS . 3.6 t -114.42 165.09 9.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.211 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.482 ' SG ' ' HG3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -107.53 108.72 20.15 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.071 0.462 . . . . 0.0 112.001 -179.586 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 24' ' ' TRP . 11.0 mtm180 -170.24 98.75 0.27 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.299 178.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.417 ' HA ' HD13 ' A' ' 23' ' ' LEU . 1.3 mm? 67.21 -61.07 0.35 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.369 -178.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.471 ' HA ' ' O ' ' A' ' 7' ' ' TRP . 2.7 p90 -149.34 141.39 23.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.982 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.473 ' N ' ' NH2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -52.07 115.99 1.98 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.96 0.409 . . . . 0.0 111.443 -179.249 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.7 mtmm -117.39 145.32 44.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.426 ' N ' ' O ' ' A' ' 14' ' ' LYS . 50.4 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.874 0.369 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.428 ' CG ' ' N ' ' A' ' 4' ' ' LYS . 1.9 tt0 -91.42 -81.69 0.32 Allowed 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.026 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.56 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 178.53 60.66 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.014 0.435 . . . . 0.0 111.554 179.387 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.588 ' CD2' HD21 ' A' ' 19' ' ' LEU . 0.4 OUTLIER 58.41 152.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.099 178.763 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.5 ' HA ' ' N ' ' A' ' 25' ' ' CYS . 23.4 mtm 47.47 20.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.25 -0.887 . . . . 0.0 113.163 179.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.946 ' CH2' HG22 ' A' ' 8' ' ' THR . 0.4 OUTLIER -74.44 150.79 39.79 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.322 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.946 HG22 ' CH2' ' A' ' 7' ' ' TRP . 0.7 OUTLIER -54.29 143.93 21.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.277 0.56 . . . . 0.0 112.179 -178.754 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.419 ' HB2' ' NH2' ' A' ' 13' ' ' ARG . 6.5 t -99.25 147.83 24.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.242 179.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -156.17 -164.26 1.65 Allowed 'General case' 0 C--O 1.232 0.166 0 C-N-CA 120.949 -0.301 . . . . 0.0 111.267 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -49.74 -46.8 50.81 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 121.061 0.458 . . . . 0.0 110.3 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -126.23 98.75 5.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.99 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.591 HH11 ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -75.17 99.94 4.13 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.871 -179.208 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 2' ' ' CYS . 0.0 OUTLIER -59.96 -24.09 64.12 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.073 0.463 . . . . 0.0 110.089 178.704 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.523 ' CB ' ' HD3' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -36.56 161.27 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.18 -0.918 . . . . 0.0 112.106 179.539 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.5 m -60.98 155.4 20.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.613 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -68.93 -11.71 60.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.849 -179.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -100.01 43.27 1.81 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.93 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.588 HD21 ' CD2' ' A' ' 5' ' ' TRP . 19.5 mt -146.7 162.17 39.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.788 0.327 . . . . 0.0 111.115 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.48 HG12 ' N ' ' A' ' 21' ' ' CYS . 18.8 t -100.11 160.08 3.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.261 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.48 ' N ' HG12 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -108.91 102.19 11.22 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.137 0.494 . . . . 0.0 111.82 -179.694 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 24' ' ' TRP . 27.7 mtm-85 -170.26 99.13 0.27 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.565 179.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.4 mt 69.41 -61.64 0.43 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.974 0.416 . . . . 0.0 110.11 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.411 ' N ' ' O ' ' A' ' 22' ' ' ARG . 1.3 p90 -149.19 151.52 34.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.988 179.165 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.5 ' N ' ' HA ' ' A' ' 6' ' ' MET . 0.8 OUTLIER -56.79 101.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.989 0.423 . . . . 0.0 111.142 -179.494 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -97.81 137.8 36.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.942 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.468 ' HA ' ' N ' ' A' ' 16' ' ' CYS . 38.5 t . . . . . 0 CA--C 1.523 -0.078 0 CA-C-O 121.144 0.497 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -101.63 -72.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.467 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.42 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 177.42 134.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.611 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.442 ' CD1' ' HD2' ' A' ' 27' ' ' ARG . 8.0 t90 -53.82 147.98 10.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.44 ' HB2' ' CE3' ' A' ' 5' ' ' TRP . 2.8 ttt 83.37 -45.71 0.12 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.736 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.491 ' HB3' ' NH2' ' A' ' 13' ' ' ARG . 3.3 t90 -40.04 161.12 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -179.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -41.03 140.39 0.76 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.318 -0.856 . . . . 0.0 112.421 -179.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.486 ' HA ' ' CD ' ' A' ' 13' ' ' ARG . 1.8 t -121.4 152.02 39.52 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.796 179.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -148.91 -162.69 1.61 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.284 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -50.51 -41.23 53.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.975 0.417 . . . . 0.0 110.624 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -170.2 99.88 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.577 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.546 ' HG3' ' H ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -95.66 -175.78 3.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.829 0.347 . . . . 0.0 111.209 -179.864 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 15' ' ' CYS . 8.6 mptt -68.99 -24.56 64.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.132 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.546 ' H ' ' HG3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -25.61 121.34 0.07 Allowed 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.372 0.42 . . . . 0.0 112.11 -179.399 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.468 ' N ' ' HA ' ' A' ' 2' ' ' CYS . 0.1 OUTLIER -44.4 151.58 0.25 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.084 -179.68 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -51.74 -24.75 6.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.795 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.419 ' O ' HD23 ' A' ' 19' ' ' LEU . . . -89.53 48.41 3.34 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.71 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 18' ' ' GLY . 93.1 mt -156.64 139.52 15.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.831 0.348 . . . . 0.0 111.219 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.496 HG22 ' N ' ' A' ' 21' ' ' CYS . 9.3 p -88.21 160.38 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.076 179.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.496 ' N ' HG22 ' A' ' 20' ' ' VAL . 1.3 t -124.83 118.23 25.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.417 0.627 . . . . 0.0 112.242 -179.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 24' ' ' TRP . 9.1 mtm180 -170.1 99.11 0.28 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.102 -0.954 . . . . 0.0 108.865 178.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 mt 68.04 -62.05 0.36 Allowed 'General case' 0 N--CA 1.463 0.175 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -178.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.425 ' N ' ' O ' ' A' ' 22' ' ' ARG . 0.9 OUTLIER -137.99 124.76 21.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.454 178.798 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -44.01 133.41 5.08 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.916 0.388 . . . . 0.0 111.538 -179.223 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.437 ' HA ' ' CD1' ' A' ' 5' ' ' TRP . 35.1 mtpt -126.79 170.53 12.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.442 ' HD2' ' CD1' ' A' ' 5' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.475 ' HB2' ' CA ' ' A' ' 16' ' ' CYS . 36.7 t . . . . . 0 CA--C 1.522 -0.104 0 CA-C-O 121.116 0.484 . . . . 0.0 111.061 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -82.16 -80.96 0.15 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.107 179.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.531 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 175.19 63.65 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.18 0.514 . . . . 0.0 110.94 179.214 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.409 ' CE3' ' HG2' ' A' ' 6' ' ' MET . 32.2 t90 59.7 152.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.363 179.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.443 ' N ' ' HB2' ' A' ' 25' ' ' CYS . 3.3 ptt? 39.83 68.43 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.787 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.507 ' CD1' ' HG3' ' A' ' 13' ' ' ARG . 0.6 OUTLIER -118.73 152.62 35.81 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 178.173 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.452 ' O ' ' CE2' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -52.12 114.45 1.33 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.807 0.337 . . . . 0.0 111.815 -179.676 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.9 t -91.78 135.73 33.69 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.225 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -161.69 -164.82 1.16 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.023 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -49.9 -36.64 28.14 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.892 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -138.32 99.42 3.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.691 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.507 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -105.83 157.02 17.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.635 -179.874 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 2' ' ' CYS . 2.2 mptt -92.37 -32.66 14.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.259 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.464 ' HB2' ' CD ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -30.56 146.93 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.125 -179.656 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.475 ' CA ' ' HB2' ' A' ' 2' ' ' CYS . 0.1 OUTLIER -70.92 160.74 32.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.837 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -64.77 -13.49 55.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.151 -179.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.67 39.92 3.08 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.466 -0.874 . . . . 0.0 112.84 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.529 HD13 ' SG ' ' A' ' 25' ' ' CYS . 25.1 mt -151.97 154.25 35.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 0.0 110.971 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.6 t -88.9 153.8 3.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.944 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.45 107.63 18.74 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.113 0.483 . . . . 0.0 111.817 -179.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.446 ' O ' ' HB2' ' A' ' 23' ' ' LEU . 1.4 ttt-85 -170.03 99.36 0.29 Allowed 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.556 179.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.511 HD22 ' N ' ' A' ' 23' ' ' LEU . 3.0 mm? 67.84 -60.99 0.39 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.308 -178.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.427 ' N ' ' O ' ' A' ' 22' ' ' ARG . 6.1 p90 -154.78 138.89 16.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.876 179.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.529 ' SG ' HD13 ' A' ' 19' ' ' LEU . 1.2 m -41.42 127.9 3.02 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.907 0.384 . . . . 0.0 111.678 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -113.52 149.03 34.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.825 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.2 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.907 0.384 . . . . 0.0 111.485 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.467 ' O ' ' CB ' ' A' ' 4' ' ' LYS . 0.7 OUTLIER -70.06 -77.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 178.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.565 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 157.37 58.67 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.157 0.503 . . . . 0.0 110.901 178.592 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.435 ' CD2' ' HG3' ' A' ' 6' ' ' MET . 23.9 t90 59.91 144.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.62 179.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.435 ' HG3' ' CD2' ' A' ' 5' ' ' TRP . 9.5 mtp 55.29 47.7 20.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.943 179.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.947 ' CH2' HG22 ' A' ' 8' ' ' THR . 1.0 OUTLIER -114.4 137.17 52.17 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 178.616 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.947 HG22 ' CH2' ' A' ' 7' ' ' TRP . 0.6 OUTLIER -41.18 148.6 0.12 Allowed 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -178.338 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.465 ' SG ' ' HG2' ' A' ' 13' ' ' ARG . 4.1 t -111.17 164.49 12.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.101 179.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -177.64 -170.5 0.27 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.441 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -49.91 -30.47 10.25 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.048 0.451 . . . . 0.0 110.657 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -157.31 99.71 1.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.06 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.675 ' HD2' ' HB2' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -119.59 148.37 43.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.141 0.496 . . . . 0.0 111.495 -179.05 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.417 ' CD ' ' H ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -41.94 -92.41 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.185 -179.696 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.675 ' HB2' ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 58.68 164.35 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.863 0.363 . . . . 0.0 110.373 -179.169 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.997 ' H ' HD12 ' A' ' 19' ' ' LEU . 11.1 m -102.6 174.55 5.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.497 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -57.65 -20.59 34.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.695 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.35 65.24 0.45 Allowed Glycine 0 CA--C 1.518 0.256 0 C-N-CA 120.455 -0.879 . . . . 0.0 113.401 -179.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.997 HD12 ' H ' ' A' ' 16' ' ' CYS . 95.6 mt -151.06 140.85 21.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.867 0.365 . . . . 0.0 111.252 179.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -92.93 -169.97 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.499 179.761 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.486 ' H ' HG12 ' A' ' 20' ' ' VAL . 54.1 t -125.66 113.22 17.08 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.181 0.515 . . . . 0.0 112.157 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 24' ' ' TRP . 7.9 mtt180 -170.38 98.39 0.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.098 178.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.9 mt 66.71 -60.51 0.34 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.329 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.459 ' N ' ' O ' ' A' ' 22' ' ' ARG . 1.2 p90 -148.2 152.74 37.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.163 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.908 ' HB3' HD13 ' A' ' 19' ' ' LEU . 96.0 m -42.92 124.07 3.0 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.844 0.354 . . . . 0.0 111.399 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.544 ' O ' HG23 ' A' ' 20' ' ' VAL . 6.6 mtmt -134.23 139.95 46.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.799 ' HB3' HD23 ' A' ' 19' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 3.4 m . . . . . 0 N--CA 1.462 0.164 0 CA-C-O 120.617 0.246 . . . . 0.0 111.318 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.576 ' O ' ' CB ' ' A' ' 4' ' ' LYS . 0.6 OUTLIER -56.46 -48.87 76.18 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.011 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.576 ' CB ' ' O ' ' A' ' 3' ' ' GLN . 0.0 OUTLIER 130.81 65.36 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.951 178.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.43 ' CE2' ' HG3' ' A' ' 6' ' ' MET . 38.4 t90 59.23 146.09 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.029 179.147 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.43 ' HG3' ' CE2' ' A' ' 5' ' ' TRP . 5.0 mtm 41.75 65.22 0.9 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.814 179.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.665 ' CD1' ' HD2' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -118.41 130.79 56.18 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 178.714 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -39.68 121.41 1.24 Allowed 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -178.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.631 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -85.57 160.38 19.65 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 179.361 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -176.13 -160.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.462 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -49.99 -28.34 6.76 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.856 0.36 . . . . 0.0 111.112 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.6 pm0 -153.41 100.66 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.622 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.665 ' HD2' ' CD1' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -100.75 109.85 21.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.819 -179.706 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 3' ' ' GLN . 14.6 mmtt -71.57 61.99 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.105 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.563 ' HB2' ' CG ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -109.37 149.52 29.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.015 179.556 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -61.86 157.54 18.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.937 0.398 . . . . 0.0 110.852 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -65.9 -11.53 47.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.284 -178.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.405 ' C ' ' HG ' ' A' ' 19' ' ' LEU . . . -91.12 34.48 4.26 Favored Glycine 0 CA--C 1.517 0.178 0 C-N-CA 120.375 -0.917 . . . . 0.0 112.931 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.542 HD13 ' SG ' ' A' ' 25' ' ' CYS . 11.6 mt -148.06 161.96 40.34 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.764 0.316 . . . . 0.0 111.135 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.415 ' O ' ' NH2' ' A' ' 13' ' ' ARG . 21.3 t -110.84 145.89 16.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.93 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.525 ' HA ' ' NH2' ' A' ' 13' ' ' ARG . 49.3 t -87.14 110.7 20.31 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.047 0.451 . . . . 0.0 112.022 -179.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 24' ' ' TRP . 4.1 mtp180 -170.17 98.85 0.28 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.223 178.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.498 HD12 ' CZ3' ' A' ' 24' ' ' TRP . 1.6 mm? 67.14 -60.8 0.36 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.256 -178.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.498 ' CZ3' HD12 ' A' ' 23' ' ' LEU . 2.6 p90 -158.19 136.93 11.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.928 179.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.542 ' SG ' HD13 ' A' ' 19' ' ' LEU . 1.2 m -41.71 116.73 0.82 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.031 0.443 . . . . 0.0 111.885 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -118.93 148.35 43.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.735 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.461 0.102 0 CA-C-O 120.761 0.315 . . . . 0.0 110.705 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.599 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 10.0 mt-30 -70.15 -65.63 0.7 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.729 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.599 ' HD3' ' HB3' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -175.94 34.12 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 179.617 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.428 ' CE3' ' HG2' ' A' ' 6' ' ' MET . 1.0 OUTLIER 65.46 161.37 0.13 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.815 0.34 . . . . 0.0 110.256 -179.831 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.556 ' HA ' ' N ' ' A' ' 25' ' ' CYS . 21.4 ptt? 45.9 46.19 12.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.601 -179.501 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.514 ' CE2' ' O ' ' A' ' 8' ' ' THR . 1.1 t-105 -94.25 154.64 17.43 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 121.031 0.443 . . . . 0.0 110.923 179.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.514 ' O ' ' CE2' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -59.74 108.02 0.68 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.19 -179.881 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.559 ' HA ' ' NH1' ' A' ' 13' ' ' ARG . 49.4 t -58.32 134.0 56.19 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.729 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -165.57 -164.98 0.78 Allowed 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.428 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -49.77 -28.07 5.76 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.815 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -138.91 98.93 3.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.03 0.443 . . . . 0.0 111.209 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.559 ' NH1' ' HA ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -71.84 99.8 2.27 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.599 179.498 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -57.62 -60.99 2.84 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.953 -179.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 p -41.0 145.59 0.2 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.079 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -44.79 139.62 2.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.852 -179.028 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.78 -26.86 48.14 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.536 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -51.34 -24.62 10.82 Favored Glycine 0 CA--C 1.518 0.22 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.198 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.78 HD13 ' HB3' ' A' ' 25' ' ' CYS . 6.9 mt -88.99 -175.63 4.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.477 0.179 . . . . 0.0 110.667 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.2 t -115.07 151.51 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-O 120.745 0.307 . . . . 0.0 111.704 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.452 ' SG ' ' HD2' ' A' ' 13' ' ' ARG . 0.6 OUTLIER -95.96 99.78 11.53 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.414 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.435 HH21 HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -170.33 99.49 0.27 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.886 179.42 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.736 HD12 ' CE3' ' A' ' 24' ' ' TRP . 0.2 OUTLIER 70.34 -61.6 0.46 Allowed 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -178.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.736 ' CE3' HD12 ' A' ' 23' ' ' LEU . 9.0 p90 -157.4 136.08 11.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.856 179.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.78 ' HB3' HD13 ' A' ' 19' ' ' LEU . 1.1 m -45.68 112.71 0.49 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.908 0.385 . . . . 0.0 111.405 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.452 ' O ' HD23 ' A' ' 19' ' ' LEU . 10.6 ttpt -105.02 142.3 35.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.94 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.946 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 20.6 m . . . . . 0 CA--C 1.527 0.092 0 CA-C-O 120.659 0.266 . . . . 0.0 111.093 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -79.36 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 120.776 0.322 . . . . 0.0 110.358 179.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.485 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 175.75 52.53 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.967 0.413 . . . . 0.0 111.397 179.289 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.553 ' HD1' HD21 ' A' ' 19' ' ' LEU . 48.5 t90 60.39 157.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.258 0.552 . . . . 0.0 111.614 179.09 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . 0.465 ' HB2' ' CD2' ' A' ' 5' ' ' TRP . 2.6 tmm? 46.55 27.16 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.576 179.532 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . 0.924 ' CZ2' HG22 ' A' ' 8' ' ' THR . 1.6 t-105 -85.04 154.2 22.24 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 178.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.924 HG22 ' CZ2' ' A' ' 7' ' ' TRP . 0.4 OUTLIER -49.16 154.95 0.73 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.028 0.442 . . . . 0.0 111.689 -179.683 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.5 t -144.92 144.72 31.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.941 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -165.26 -85.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.817 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -101.56 -50.25 3.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.014 0.435 . . . . 0.0 110.208 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.51 99.57 3.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.795 179.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.489 HH22 ' HA ' ' A' ' 21' ' ' CYS . 1.9 ptp85 -84.41 -170.03 2.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.361 -179.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.508 ' HD3' ' CE2' ' A' ' 7' ' ' TRP . 0.7 OUTLIER -115.99 -63.4 1.46 Allowed 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -178.774 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 0.8 OUTLIER -32.92 143.76 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.87 0.367 . . . . 0.0 111.127 -178.269 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.5 m -45.17 140.88 2.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.913 -178.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.19 -24.4 4.21 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.213 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -49.78 -24.54 6.11 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.612 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.553 HD21 ' HD1' ' A' ' 5' ' ' TRP . 1.4 mt -94.49 135.3 36.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.653 0.263 . . . . 0.0 111.235 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 26' ' ' LYS . 27.7 m -68.12 161.81 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.907 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.489 ' HA ' HH22 ' A' ' 13' ' ' ARG . 49.0 t -105.39 115.04 29.59 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.404 0.621 . . . . 0.0 112.345 -179.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 24' ' ' TRP . 1.5 mtt85 -170.39 99.03 0.26 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.151 -0.931 . . . . 0.0 108.964 178.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.46 ' HA ' HD23 ' A' ' 23' ' ' LEU . 6.0 mt 67.86 -62.01 0.36 Allowed 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -178.324 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.429 ' N ' ' O ' ' A' ' 22' ' ' ARG . 1.9 p90 -141.71 -173.82 3.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.652 178.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.457 ' HB3' HD22 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -86.54 112.93 22.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.958 0.409 . . . . 0.0 111.102 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.552 ' O ' HG22 ' A' ' 20' ' ' VAL . 14.1 ptmt -124.7 130.21 51.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.927 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.446 ' CZ ' ' CD1' ' A' ' 5' ' ' TRP . 5.5 mpt_? . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.459 ' HB2' ' HA ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.539 0.209 . . . . 0.0 110.961 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.433 ' HB2' ' O ' ' A' ' 1' ' ' TYR . 4.6 t 178.01 134.2 0.07 Allowed 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.889 0.376 . . . . 0.0 111.363 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -105.14 -75.8 0.62 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.873 178.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.56 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 170.36 54.55 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.122 0.487 . . . . 0.0 111.204 179.028 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 49.4 t90 56.75 158.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.459 179.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.437 ' HG3' ' CD1' ' A' ' 24' ' ' TRP . 3.2 ttp 40.78 32.15 0.15 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.692 -0.686 . . . . 0.0 112.044 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.436 ' CD1' ' HG3' ' A' ' 13' ' ' ARG . 1.0 OUTLIER -84.79 145.16 28.02 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 120.794 0.33 . . . . 0.0 110.236 179.618 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -44.08 127.74 5.56 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.411 0.522 . . . . 0.0 112.411 -179.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.46 ' HA ' ' CD ' ' A' ' 13' ' ' ARG . 0.8 OUTLIER -91.81 141.56 28.53 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.869 179.517 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -159.93 -171.99 3.46 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.759 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -49.84 -50.09 46.73 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 121.129 0.49 . . . . 0.0 110.081 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -131.45 99.05 4.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.067 178.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.46 ' CD ' ' HA ' ' A' ' 9' ' ' CYS . 0.4 OUTLIER -114.17 150.48 34.15 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.67 -178.867 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.459 ' HA ' ' HB2' ' A' ' 1' ' ' TYR . 35.6 mmtp -62.22 -114.43 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.747 178.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.414 ' N ' ' HA ' ' A' ' 2' ' ' CYS . 0.9 OUTLIER 60.62 135.89 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.943 0.402 . . . . 0.0 111.338 179.275 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 35.4 m -66.79 156.69 34.83 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.812 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.04 -20.69 26.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.773 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.87 46.47 3.11 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.6 -0.809 . . . . 0.0 112.947 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 50.8 mt -154.86 138.42 16.0 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.793 0.33 . . . . 0.0 111.069 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.496 HG22 ' N ' ' A' ' 21' ' ' CYS . 10.3 p -82.49 160.55 3.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.32 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.496 ' N ' HG22 ' A' ' 20' ' ' VAL . 49.7 t -113.54 114.44 26.51 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.198 0.523 . . . . 0.0 112.055 -179.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -170.08 99.13 0.29 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.207 179.072 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.7 mt 69.88 -62.39 0.42 Allowed 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -178.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.437 ' CD1' ' HG3' ' A' ' 6' ' ' MET . 2.8 p90 -152.46 138.52 18.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.62 179.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.431 ' HB2' ' N ' ' A' ' 6' ' ' MET . 1.2 m -44.7 120.5 2.31 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.942 0.401 . . . . 0.0 111.676 -179.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -117.17 142.11 47.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.817 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.79 -170.04 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.935 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.647 ' N ' HD13 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -149.16 138.83 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.618 HD12 ' C ' ' A' ' 28' ' ' ILE . 3.2 mp -142.54 158.69 19.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.078 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.484 ' N ' HG22 ' A' ' 29' ' ' ILE . 4.0 m-80 -105.77 -35.53 7.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 10.2 mtp . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.247 -0.883 . . . . 0.0 110.895 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.511 ' O ' ' HB2' ' A' ' 2' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 111.173 0.064 . . . . 0.0 111.173 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.621 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 61.1 m 82.87 90.57 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.249 0.547 . . . . 0.0 111.015 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -85.19 149.95 25.15 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.342 179.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.59 127.89 19.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.613 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.638 ' CB ' HD22 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -45.86 168.23 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.096 -179.641 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.476 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 3.8 ttp 88.09 -48.31 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.412 -179.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 13' ' ' ARG . 3.8 t90 -43.44 165.15 0.01 OUTLIER 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 112.47 0.544 . . . . 0.0 112.47 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -44.83 143.15 1.52 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.41 -0.813 . . . . 0.0 112.628 -179.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.495 ' HA ' ' CG ' ' A' ' 13' ' ' ARG . 4.4 t -126.68 137.22 53.25 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.164 179.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -144.35 -165.78 2.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.012 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.66 -30.81 14.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.999 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -146.23 99.69 3.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.934 179.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.495 ' CG ' ' HA ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -88.35 167.61 13.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.924 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.621 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 2.5 mptp? -92.42 -39.94 11.15 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.579 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.3 p -40.55 133.17 2.0 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.293 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.3 m -48.0 155.09 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.266 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -57.44 -20.65 31.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.494 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.487 ' O ' HG23 ' A' ' 28' ' ' ILE . . . -53.04 -23.34 15.79 Favored Glycine 0 CA--C 1.519 0.29 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.821 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.834 HD23 ' HA ' ' A' ' 27' ' ' ARG . 0.4 OUTLIER -118.85 128.2 54.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.836 0.35 . . . . 0.0 111.079 -179.817 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.4 m -58.58 -177.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.758 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 1.6 t -140.9 118.91 11.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.168 0.509 . . . . 0.0 111.955 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -168.84 99.32 0.39 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.272 -0.877 . . . . 0.0 109.298 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.42 HD12 ' CZ3' ' A' ' 24' ' ' TRP . 0.2 OUTLIER 72.93 -56.74 0.65 Allowed 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 -178.347 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.42 ' CZ3' HD12 ' A' ' 23' ' ' LEU . 1.4 p90 -144.66 120.04 10.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.558 178.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.451 ' HB2' ' NH2' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -41.91 99.76 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.978 0.418 . . . . 0.0 111.649 -179.106 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -88.63 137.8 31.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.998 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.834 ' HA ' HD23 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -78.46 149.53 33.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.544 ' N ' HD13 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -49.32 135.79 6.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.454 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.477 HG22 ' N ' ' A' ' 30' ' ' ASN . 26.1 mm -101.65 158.95 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.14 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.477 ' N ' HG22 ' A' ' 29' ' ' ILE . 11.6 t-20 -146.08 -57.16 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.958 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 7.0 ttt . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.304 -0.855 . . . . 0.0 110.878 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.429 ' CZ ' ' HA ' ' A' ' 14' ' ' LYS . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.83 0.348 . . . . 0.0 111.148 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.483 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 3.8 m 64.73 110.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.991 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.449 ' HB2' ' CD1' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -58.84 -81.07 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.647 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.583 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 172.89 59.18 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.177 0.513 . . . . 0.0 110.624 179.464 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.793 ' CD1' HD21 ' A' ' 19' ' ' LEU . 1.3 m-90 56.26 161.79 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.394 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.534 ' N ' ' HB2' ' A' ' 25' ' ' CYS . 17.9 mtp 37.05 30.17 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.698 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.515 ' CZ3' ' CG2' ' A' ' 8' ' ' THR . 0.0 OUTLIER -88.17 123.96 33.34 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.856 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.515 ' CG2' ' CZ3' ' A' ' 7' ' ' TRP . 12.2 t -47.13 139.5 5.9 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.473 ' N ' ' NH1' ' A' ' 13' ' ' ARG . 11.9 t -78.11 157.29 29.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.233 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 27.6 p-10 -157.05 -162.25 1.2 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.619 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -49.9 -27.87 5.83 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.975 0.416 . . . . 0.0 110.392 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -155.62 99.68 2.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.368 179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.617 ' CD ' ' HB2' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -68.38 99.66 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.183 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.429 ' HA ' ' CZ ' ' A' ' 1' ' ' TYR . 2.9 mptp? -53.98 -30.28 46.43 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.363 -179.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.634 ' SG ' HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -34.27 150.51 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.558 -0.747 . . . . 0.0 111.87 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 m -68.72 157.44 36.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.547 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 pm0 -55.34 -21.16 13.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.775 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.45 -21.67 28.23 Favored Glycine 0 CA--C 1.519 0.343 0 C-N-CA 120.822 -0.704 . . . . 0.0 113.214 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.793 HD21 ' CD1' ' A' ' 5' ' ' TRP . 0.7 OUTLIER -119.94 165.99 13.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.895 0.379 . . . . 0.0 111.499 -179.498 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 5.8 m -109.99 179.87 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.88 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.2 t -106.39 107.62 18.73 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-O 121.316 0.579 . . . . 0.0 111.878 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 24' ' ' TRP . 9.6 mtm-85 -170.39 98.34 0.26 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.328 -0.851 . . . . 0.0 108.889 178.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.617 HD12 ' CE3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER 67.12 -61.2 0.35 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.46 -178.834 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.617 ' CE3' HD12 ' A' ' 23' ' ' LEU . 3.3 p90 -155.02 147.48 24.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.959 179.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.603 ' HB3' HD13 ' A' ' 19' ' ' LEU . 29.1 m -42.65 116.53 0.88 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.851 0.358 . . . . 0.0 111.571 -179.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -123.92 108.85 12.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.559 ' N ' HD23 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -59.94 -174.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.728 ' O ' HD12 ' A' ' 28' ' ' ILE . 2.8 pp -130.53 136.38 58.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.48 HG22 ' N ' ' A' ' 30' ' ' ASN . 30.0 mm -98.37 158.75 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.155 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.48 ' N ' HG22 ' A' ' 29' ' ' ILE . 3.2 m120 -165.03 82.99 0.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.6 ptt? . . . . . 0 C--O 1.25 1.094 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.834 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.46 ' CD1' ' HG3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.49 0 CA-C-O 120.67 0.271 . . . . 0.0 111.003 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.494 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 44.7 t 60.99 125.06 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.222 0.534 . . . . 0.0 111.495 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.413 ' OE1' ' CD1' ' A' ' 7' ' ' TRP . 0.9 OUTLIER -91.32 -173.49 3.62 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.105 179.119 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.444 ' HA ' ' HE2' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -97.23 74.59 2.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.035 0.445 . . . . 0.0 111.741 -179.386 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.951 ' CE2' HD21 ' A' ' 19' ' ' LEU . 1.2 m-90 53.67 172.93 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.175 178.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.538 ' N ' ' HB2' ' A' ' 25' ' ' CYS . 23.0 mtp 31.48 38.57 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 114.917 -1.038 . . . . 0.0 112.941 179.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.413 ' CD1' ' OE1' ' A' ' 3' ' ' GLN . 0.8 OUTLIER -90.51 142.34 27.84 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.792 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -40.19 120.4 1.19 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.895 0.379 . . . . 0.0 111.998 -179.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.433 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -100.85 153.82 19.16 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.686 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -168.8 -159.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.404 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -50.06 -27.21 5.25 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.859 0.362 . . . . 0.0 110.81 179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -164.06 111.62 1.13 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.656 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.494 ' HD3' ' HB2' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -113.27 144.2 43.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.055 0.455 . . . . 0.0 111.012 179.9 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.494 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 3.6 mptt -61.69 -27.43 68.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.308 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.494 ' HB2' ' HD3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -33.69 150.7 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.17 -179.624 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.9 m -65.12 168.61 6.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.807 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -77.98 -2.29 36.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.857 -179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -95.73 28.51 12.19 Favored Glycine 0 C--N 1.331 0.258 0 C-N-CA 120.481 -0.866 . . . . 0.0 112.676 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.951 HD21 ' CE2' ' A' ' 5' ' ' TRP . 16.3 mt -142.8 136.29 28.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.902 0.382 . . . . 0.0 111.396 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 31.6 t -77.24 137.68 21.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.498 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.453 ' HA ' ' NH2' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -86.21 106.88 17.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.99 0.424 . . . . 0.0 111.915 -179.239 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.12 99.15 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.801 179.078 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.661 HD12 ' CE3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER 68.92 -60.75 0.44 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.651 -179.224 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.661 ' CE3' HD12 ' A' ' 23' ' ' LEU . 3.5 p90 -151.34 146.54 26.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.224 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.695 ' HB3' HD13 ' A' ' 19' ' ' LEU . 12.5 m -58.27 117.41 4.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.0 0.428 . . . . 0.0 111.14 -179.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.433 ' HG2' ' CD1' ' A' ' 24' ' ' TRP . 49.1 mtmt -113.52 145.6 40.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.91 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.435 ' HG3' ' CD1' ' A' ' 5' ' ' TRP . 0.4 OUTLIER -58.84 129.63 43.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.44 ' CG2' ' N ' ' A' ' 29' ' ' ILE . 4.0 mm -45.22 156.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.641 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.833 ' O ' HD12 ' A' ' 29' ' ' ILE . 2.8 pp -50.86 147.3 1.25 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.644 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.5 p-10 -175.95 37.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.5 mtm . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.265 -0.874 . . . . 0.0 110.847 179.979 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.486 ' CD1' ' HG3' ' A' ' 14' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.693 0.282 . . . . 0.0 111.132 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.4 t 58.16 123.67 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.344 0.592 . . . . 0.0 111.782 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.449 ' O ' ' HB2' ' A' ' 4' ' ' LYS . 0.6 OUTLIER -106.72 -80.45 0.56 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.23 178.739 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.6 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 178.2 36.61 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.591 178.291 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.45 ' CD2' ' HG3' ' A' ' 6' ' ' MET . 30.8 t90 59.09 150.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.999 0.428 . . . . 0.0 111.214 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.469 ' O ' ' HB2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 66.45 -35.43 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 179.523 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.433 ' H ' ' C ' ' A' ' 5' ' ' TRP . 2.3 t90 -39.68 157.94 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.326 0.584 . . . . 0.0 112.456 -179.021 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.432 ' N ' ' CE3' ' A' ' 7' ' ' TRP . 0.2 OUTLIER -40.95 142.28 0.5 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.318 -0.856 . . . . 0.0 112.985 -178.797 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.401 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -123.15 124.9 44.1 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.497 179.346 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -136.52 -165.86 1.8 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.814 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.84 -27.3 7.09 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.958 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.89 99.81 1.24 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.788 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.478 ' CD ' ' HB2' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -113.46 -179.38 3.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.801 179.789 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.486 ' HG3' ' CD1' ' A' ' 1' ' ' TYR . 1.3 mptp? -80.51 -107.9 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.929 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.478 ' HB2' ' CD ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 59.5 125.64 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.142 0 CA-C-O 120.917 0.389 . . . . 0.0 111.325 179.808 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.2 m -51.33 156.75 1.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.018 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -53.74 -23.12 10.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.795 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.83 47.27 2.96 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.525 -0.845 . . . . 0.0 112.84 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.413 HD13 ' SG ' ' A' ' 15' ' ' CYS . 90.5 mt -155.97 136.34 13.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.796 0.332 . . . . 0.0 111.312 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.8 m -82.47 169.96 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.247 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.2 t -131.02 122.83 27.49 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.404 0.621 . . . . 0.0 112.372 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 24' ' ' TRP . 10.3 mtt180 -170.35 99.24 0.27 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.234 178.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 23' ' ' LEU . 5.9 mt 68.51 -61.39 0.41 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.018 0.437 . . . . 0.0 109.929 -178.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.469 ' HB2' ' O ' ' A' ' 6' ' ' MET . 0.3 OUTLIER -146.97 126.42 13.19 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.828 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -40.23 144.96 0.18 Allowed 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.97 0.414 . . . . 0.0 111.754 -178.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -132.2 144.26 50.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.823 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.407 ' HD2' ' CZ2' ' A' ' 5' ' ' TRP . 0.0 OUTLIER -77.75 -173.92 3.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.743 ' O ' HD12 ' A' ' 28' ' ' ILE . 2.6 pp -137.56 125.95 32.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.6 mm -107.6 124.03 63.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 61.16 112.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.846 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.7 mtt . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.937 179.957 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.1 t80 . . . . . 0 N--CA 1.486 1.375 0 CA-C-O 120.745 0.307 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 28.0 m 68.19 101.43 0.05 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.994 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.7 -86.47 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.709 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.468 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -179.66 58.05 0.01 OUTLIER 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.803 0.335 . . . . 0.0 111.689 179.576 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.726 ' HA ' HD13 ' A' ' 19' ' ' LEU . 33.1 t90 58.26 158.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.159 0.504 . . . . 0.0 111.788 178.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.542 ' N ' ' HB2' ' A' ' 25' ' ' CYS . 3.1 mmt 38.64 39.65 0.34 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.153 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.435 ' CD2' ' N ' ' A' ' 8' ' ' THR . 1.1 t-105 -93.1 153.23 18.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.8 0.333 . . . . 0.0 110.229 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.435 ' N ' ' CD2' ' A' ' 7' ' ' TRP . 0.2 OUTLIER -48.56 112.7 0.63 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.145 179.708 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 10' ' ' ASP . 0.0 OUTLIER -109.93 125.46 52.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.973 -179.83 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.474 ' CB ' ' O ' ' A' ' 9' ' ' CYS . 2.0 m-20 155.32 -86.35 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.948 179.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -65.94 -50.11 65.56 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.943 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -135.32 99.42 4.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.094 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.436 ' NE ' ' HB2' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -92.67 123.21 35.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.348 179.552 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.468 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 0.4 OUTLIER -114.05 -50.83 2.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.746 -179.045 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.667 ' HB2' HD12 ' A' ' 19' ' ' LEU . 20.3 p -36.65 141.48 0.12 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.294 -179.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 21.5 m -47.1 142.55 3.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.42 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -52.56 -23.52 6.53 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.848 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -55.73 -20.14 23.85 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.845 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.726 HD13 ' HA ' ' A' ' 5' ' ' TRP . 14.5 mt -97.78 141.63 30.55 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.893 0.378 . . . . 0.0 111.212 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 26' ' ' LYS . 21.2 t -66.07 161.8 3.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.183 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.508 ' N ' HG12 ' A' ' 20' ' ' VAL . 1.6 t -114.86 103.13 10.64 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.946 0.403 . . . . 0.0 111.584 -179.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -170.26 99.37 0.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.855 179.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.5 mt 69.31 -61.12 0.44 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.925 0.393 . . . . 0.0 110.266 -179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -145.01 134.6 23.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.873 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.542 ' HB2' ' N ' ' A' ' 6' ' ' MET . 35.4 m -45.97 111.29 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.011 0.434 . . . . 0.0 111.568 -179.295 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.57 ' O ' HG23 ' A' ' 20' ' ' VAL . 16.3 mtmm -124.74 143.34 50.83 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.041 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.646 ' HG3' HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -82.29 140.7 33.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 179.89 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.955 ' O ' HD13 ' A' ' 29' ' ' ILE . 2.1 mm -64.01 99.91 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.916 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.955 HD13 ' O ' ' A' ' 28' ' ' ILE . 7.7 mm -131.38 159.92 42.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.043 178.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.447 ' N ' HG22 ' A' ' 29' ' ' ILE . 48.4 m-80 60.67 80.02 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.4 ptt? . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.872 179.946 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.772 0.32 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.436 ' O ' ' C ' ' A' ' 3' ' ' GLN . 11.4 t 60.05 36.61 21.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.847 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 2' ' ' CYS . 6.0 mm100 -26.91 -71.33 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.832 -179.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.5 146.84 0.08 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.796 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.432 ' CZ2' ' HG3' ' A' ' 6' ' ' MET . 7.4 t90 -45.66 145.84 1.25 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.851 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.459 ' HA ' ' HB2' ' A' ' 24' ' ' TRP . 0.0 OUTLIER 68.13 46.78 1.11 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.294 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.536 ' H ' ' HB2' ' A' ' 25' ' ' CYS . 1.5 t-105 -104.87 154.18 20.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.904 0.383 . . . . 0.0 110.721 179.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.466 ' N ' ' CD2' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -55.9 108.71 0.48 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.946 179.7 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.426 ' SG ' ' HG3' ' A' ' 13' ' ' ARG . 12.4 t -85.94 136.73 33.16 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 179.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -171.35 -161.0 0.19 Allowed 'General case' 0 N--CA 1.462 0.158 0 C-N-CA 120.288 -0.565 . . . . 0.0 111.553 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -49.53 -31.49 10.39 Favored 'General case' 0 CA--C 1.522 -0.112 0 CA-C-O 120.987 0.423 . . . . 0.0 110.197 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -129.64 98.45 4.83 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.232 178.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.473 ' HD3' ' CD1' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -89.32 156.73 18.53 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.986 -179.852 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.421 ' HD3' ' NE1' ' A' ' 7' ' ' TRP . 8.9 mptt -116.56 -61.19 1.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.445 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 12.0 p -39.15 152.06 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.21 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.6 m -53.72 135.23 41.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.164 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -54.06 -24.46 17.36 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.649 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.87 -20.34 40.37 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.599 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.432 HD21 ' HG3' ' A' ' 27' ' ' ARG . 8.6 mt -92.76 132.46 36.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.706 0.288 . . . . 0.0 111.177 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.689 HG12 ' O ' ' A' ' 26' ' ' LYS . 10.9 p -56.3 161.83 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.189 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.519 ' N ' HG22 ' A' ' 20' ' ' VAL . 11.5 t -116.62 116.53 27.74 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.292 0.568 . . . . 0.0 112.225 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.479 ' O ' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -170.2 98.19 0.27 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.006 -0.997 . . . . 0.0 108.777 178.123 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.595 HD12 ' CE3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER 66.24 -60.86 0.3 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.907 0.384 . . . . 0.0 110.229 -178.758 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.595 ' CE3' HD12 ' A' ' 23' ' ' LEU . 2.8 p90 -141.35 134.57 29.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.014 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.536 ' HB2' ' H ' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -42.37 130.81 3.8 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.865 0.364 . . . . 0.0 111.428 -179.236 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.689 ' O ' HG12 ' A' ' 20' ' ' VAL . 15.7 ttpt -134.78 160.6 37.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.453 ' O ' HG23 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -89.43 178.92 6.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.922 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.774 ' O ' HD12 ' A' ' 28' ' ' ILE . 2.8 pp -157.05 136.38 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.589 HD12 ' C ' ' A' ' 28' ' ' ILE . 3.5 mp -145.5 158.62 12.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.132 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.479 ' N ' HG22 ' A' ' 29' ' ' ILE . 21.8 m120 -158.66 79.6 0.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.2 ptt? . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.234 -0.888 . . . . 0.0 110.93 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.6 t80 . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.879 0.371 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 52.7 t 62.7 90.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.415 0.626 . . . . 0.0 111.032 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.413 ' N ' ' HA ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -59.07 -162.73 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.352 179.705 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.475 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -110.51 65.61 0.62 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.025 0.441 . . . . 0.0 111.651 -179.524 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.5 ' HD1' HD22 ' A' ' 19' ' ' LEU . 43.1 t90 55.91 163.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.521 178.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.471 ' N ' ' CG ' ' A' ' 5' ' ' TRP . 6.4 ptt? 47.7 38.01 7.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.58 -0.737 . . . . 0.0 112.142 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.519 ' CD1' ' HD3' ' A' ' 13' ' ' ARG . 1.7 t-105 -96.22 152.06 18.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.837 0.351 . . . . 0.0 110.478 179.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.43 ' N ' ' CD2' ' A' ' 7' ' ' TRP . 0.2 OUTLIER -53.11 124.81 15.42 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.073 -0.512 . . . . 0.0 112.129 -179.683 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.45 ' HA ' ' CD ' ' A' ' 13' ' ' ARG . 1.7 t -96.53 138.1 34.61 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.226 179.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 25.1 p-10 -163.78 -166.33 1.17 Allowed 'General case' 0 N--CA 1.462 0.152 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.46 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -49.57 -38.14 30.16 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-O 121.012 0.434 . . . . 0.0 110.207 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -128.88 98.5 4.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.149 178.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.519 ' HD3' ' CD1' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -83.38 168.94 16.13 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.435 -179.575 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.482 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 9.2 mptt -117.78 -53.75 2.38 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.611 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 24.7 p -44.83 166.59 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.142 0.496 . . . . 0.0 111.263 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 68.6 m -69.1 141.39 54.71 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.156 -178.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -50.09 -25.02 3.06 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.977 -179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -56.63 -18.94 25.69 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.848 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.5 HD22 ' HD1' ' A' ' 5' ' ' TRP . 4.5 mt -98.61 126.04 44.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.803 0.335 . . . . 0.0 111.325 -179.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.494 HG22 ' N ' ' A' ' 21' ' ' CYS . 11.2 p -58.12 159.74 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.494 ' N ' HG22 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -106.97 107.59 18.69 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.03 0.443 . . . . 0.0 112.008 -179.518 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.02 98.95 0.29 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.548 178.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.9 mt 68.04 -60.39 0.41 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.771 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 31.8 p90 -144.25 148.0 34.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.359 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.424 ' SG ' ' NE ' ' A' ' 13' ' ' ARG . 17.4 m -55.44 121.53 9.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.877 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.459 ' HB3' HG12 ' A' ' 20' ' ' VAL . 1.6 ttmm -115.57 145.76 42.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.013 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.66 -177.96 3.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.782 ' O ' HD12 ' A' ' 28' ' ' ILE . 2.1 pp -118.76 152.66 20.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.106 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.553 HG22 ' H ' ' A' ' 31' ' ' MET . 3.6 mp -70.2 138.71 21.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.068 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -104.73 31.79 4.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.553 ' H ' HG22 ' A' ' 29' ' ' ILE . 4.6 ttp . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.184 -0.913 . . . . 0.0 110.944 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.6 t80 . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.775 0.321 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.5 ' HA ' ' O ' ' A' ' 14' ' ' LYS . 38.1 m 63.3 98.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.2 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.98 157.15 19.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.398 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.402 ' CE ' ' HA ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -76.15 62.89 1.77 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.516 -179.403 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.468 ' CE3' ' HB2' ' A' ' 6' ' ' MET . 53.5 t90 57.03 164.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.231 0.539 . . . . 0.0 111.355 179.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.474 ' N ' ' HB3' ' A' ' 25' ' ' CYS . 13.5 ttt 54.32 33.44 18.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.827 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.929 ' CH2' HG22 ' A' ' 8' ' ' THR . 1.2 t-105 -98.11 143.87 28.19 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.929 HG22 ' CH2' ' A' ' 7' ' ' TRP . 0.7 OUTLIER -51.83 151.98 3.19 Favored 'General case' 0 N--CA 1.463 0.181 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.022 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -105.93 143.24 34.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.52 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -161.11 -167.47 1.81 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.82 0.343 . . . . 0.0 110.963 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.4 -33.17 42.45 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.295 179.625 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -142.44 99.53 3.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.323 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.47 ' HD2' ' CD1' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -88.21 122.59 31.92 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.646 -179.646 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.5 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 0.3 OUTLIER -54.53 -41.53 69.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.397 -179.687 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.507 ' SG ' HD13 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -36.81 142.31 0.1 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.775 -179.591 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.5 m -64.63 154.43 36.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -57.97 -20.91 41.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.469 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -57.56 -20.2 37.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.931 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.824 HD13 ' SG ' ' A' ' 25' ' ' CYS . 1.6 mt -110.35 159.0 17.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.732 0.301 . . . . 0.0 111.154 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 21' ' ' CYS . 21.4 t -93.47 155.07 3.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.148 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.455 ' HB2' ' NH1' ' A' ' 13' ' ' ARG . 50.8 t -103.32 119.25 38.52 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.119 0.485 . . . . 0.0 111.975 -179.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -169.94 99.05 0.3 Allowed 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.467 179.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.6 mt 69.1 -61.63 0.42 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.986 0.422 . . . . 0.0 110.141 -178.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 1.8 p90 -147.62 152.81 38.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.009 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.824 ' SG ' HD13 ' A' ' 19' ' ' LEU . 1.8 t -53.76 108.67 0.37 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.844 0.354 . . . . 0.0 110.762 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.42 170.03 8.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.917 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.85 ' HG2' HD11 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -146.24 112.24 5.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.083 -179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.936 ' O ' HD13 ' A' ' 29' ' ' ILE . 2.6 mm -57.17 129.48 18.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.028 -179.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.936 HD13 ' O ' ' A' ' 28' ' ' ILE . 9.8 mm -130.63 139.81 50.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.139 179.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -123.87 -48.66 1.88 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 7.2 ptp . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.907 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.747 0.308 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.475 ' HA ' ' CA ' ' A' ' 15' ' ' CYS . 48.1 t 62.17 120.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.132 0.491 . . . . 0.0 111.148 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.35 -77.35 0.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.813 179.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.553 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 167.61 52.61 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.608 179.044 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.436 ' CH2' ' HG3' ' A' ' 6' ' ' MET . 42.2 t90 60.9 151.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.244 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.436 ' HG3' ' CH2' ' A' ' 5' ' ' TRP . 0.3 OUTLIER 54.87 38.67 30.72 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.358 179.237 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.437 ' HD1' ' NH1' ' A' ' 13' ' ' ARG . 1.5 t-105 -101.91 149.18 24.47 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.921 0.391 . . . . 0.0 110.189 178.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.404 ' O ' ' CE2' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -53.22 125.92 19.21 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -179.011 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.1 m -76.12 155.04 35.04 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.1 p-10 -158.65 -174.54 4.83 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.568 -0.453 . . . . 0.0 111.474 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -49.67 -37.79 30.0 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 121.383 0.611 . . . . 0.0 109.536 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -130.19 98.53 4.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.127 178.07 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.589 ' NH1' ' HB2' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -76.06 149.66 37.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.469 -179.036 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.21 -94.05 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.815 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.589 ' HB2' ' NH1' ' A' ' 13' ' ' ARG . 0.8 OUTLIER 45.66 -172.19 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.062 0.458 . . . . 0.0 111.225 -179.658 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.4 m -104.01 166.89 10.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.431 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.4 pm0 -55.6 -18.7 8.23 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -178.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.48 ' O ' HD23 ' A' ' 19' ' ' LEU . . . -102.59 53.49 0.77 Allowed Glycine 0 CA--C 1.52 0.36 0 C-N-CA 120.187 -1.006 . . . . 0.0 113.872 -178.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.48 HD23 ' O ' ' A' ' 18' ' ' GLY . 91.6 mt -157.64 165.11 36.35 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 117.204 0.502 . . . . 0.0 111.485 179.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.559 HG12 ' O ' ' A' ' 26' ' ' LYS . 13.3 p -118.32 163.53 15.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.062 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.531 ' N ' HG22 ' A' ' 20' ' ' VAL . 42.4 t -107.21 114.89 29.22 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -179.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -170.26 98.47 0.27 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.044 178.33 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.648 HD12 ' CE3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER 66.15 -61.67 0.28 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.181 0.515 . . . . 0.0 109.859 -178.549 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.648 ' CE3' HD12 ' A' ' 23' ' ' LEU . 3.9 p90 -151.61 140.86 21.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.296 178.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -44.91 126.29 5.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.926 0.393 . . . . 0.0 111.614 -179.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.559 ' O ' HG12 ' A' ' 20' ' ' VAL . 20.1 ttpt -138.21 133.56 33.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.858 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.428 ' HD3' ' CD1' ' A' ' 5' ' ' TRP . 0.1 OUTLIER -64.87 152.65 42.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.725 ' O ' HD12 ' A' ' 28' ' ' ILE . 2.5 pp -138.64 125.24 25.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.581 HD12 ' C ' ' A' ' 28' ' ' ILE . 3.5 mp -145.64 99.96 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.175 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 59.69 31.4 20.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.909 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 11.0 t80 . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.865 0.364 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.6 t 65.75 129.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.133 0.492 . . . . 0.0 111.038 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -106.45 -75.97 0.62 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.474 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.457 ' O ' ' HB3' ' A' ' 7' ' ' TRP . 0.0 OUTLIER 173.48 150.83 0.08 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.486 179.775 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.441 ' CG ' ' N ' ' A' ' 6' ' ' MET . 52.8 t90 -38.8 159.48 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.246 0.546 . . . . 0.0 111.978 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.441 ' N ' ' CG ' ' A' ' 5' ' ' TRP . 1.9 ptt? 50.4 21.84 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.211 -0.904 . . . . 0.0 112.475 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.799 ' CZ3' HG22 ' A' ' 8' ' ' THR . 0.7 OUTLIER -74.51 134.9 42.2 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.577 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.799 HG22 ' CZ3' ' A' ' 7' ' ' TRP . 14.6 t -58.54 137.3 57.5 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.183 0.516 . . . . 0.0 112.379 -178.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.59 ' HB3' ' HD2' ' A' ' 13' ' ' ARG . 0.5 OUTLIER -126.4 160.9 29.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.608 -179.742 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -172.99 -86.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.071 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -93.89 -47.71 6.61 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.92 0.39 . . . . 0.0 110.59 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -137.79 99.48 3.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.304 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.59 ' HD2' ' HB3' ' A' ' 9' ' ' CYS . 2.1 ttt-85 -102.16 115.4 30.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.381 -179.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -55.17 -98.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.504 179.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 49.54 -177.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 36.0 m -107.58 173.67 6.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.082 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -69.83 -8.27 47.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 112.155 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -92.44 25.13 19.61 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.462 -0.875 . . . . 0.0 112.947 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.617 HD13 ' SG ' ' A' ' 25' ' ' CYS . 21.6 mt -147.67 176.98 9.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.603 0.239 . . . . 0.0 110.879 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.572 HG12 ' H ' ' A' ' 21' ' ' CYS . 0.6 OUTLIER -126.02 176.36 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-O 120.781 0.324 . . . . 0.0 111.631 -179.335 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.572 ' H ' HG12 ' A' ' 20' ' ' VAL . 6.2 t -113.81 109.23 18.21 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.073 0.463 . . . . 0.0 111.49 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 24' ' ' TRP . 8.4 mtm-85 -170.25 98.6 0.27 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.172 178.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.631 HD12 ' CE3' ' A' ' 24' ' ' TRP . 0.1 OUTLIER 67.51 -61.22 0.36 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.933 0.397 . . . . 0.0 110.027 -178.669 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.631 ' CE3' HD12 ' A' ' 23' ' ' LEU . 3.7 p90 -148.81 143.68 26.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.93 179.23 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.617 ' SG ' HD13 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -44.13 108.64 0.12 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.936 0.398 . . . . 0.0 111.342 -179.58 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -87.94 148.81 24.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.042 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.99 -173.06 2.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.747 ' O ' HD12 ' A' ' 28' ' ' ILE . 2.7 pp -119.38 139.47 46.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.5 mt -94.9 115.8 34.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 60.01 81.46 0.18 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.727 ' C ' HD13 ' A' ' 28' ' ' ILE . 12.2 mmt . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.186 -0.912 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.408 ' CE1' ' HD2' ' A' ' 14' ' ' LYS . 1.7 t80 . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.798 0.332 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 44.9 t 66.26 131.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.062 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 14' ' ' LYS . 0.3 OUTLIER -116.28 -73.96 0.63 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.315 179.864 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.455 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 171.68 137.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.647 179.54 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.461 ' HA ' ' HB3' ' A' ' 25' ' ' CYS . 84.4 t90 -51.6 145.89 8.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.212 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.442 ' CB ' ' O ' ' A' ' 5' ' ' TRP . 0.0 OUTLIER 85.33 -42.2 0.06 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.218 179.31 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.6 ' HB3' HH21 ' A' ' 13' ' ' ARG . 1.9 t90 -42.64 162.72 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.382 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -178.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.406 ' N ' ' CE3' ' A' ' 7' ' ' TRP . 0.2 OUTLIER -48.34 143.1 4.97 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 114.933 -1.031 . . . . 0.0 113.644 -178.792 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.591 ' HA ' ' HD2' ' A' ' 13' ' ' ARG . 8.6 t -127.12 136.41 52.09 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.485 178.062 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -148.85 -159.22 1.01 Allowed 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.958 -0.297 . . . . 0.0 111.475 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -49.7 -49.53 47.34 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.08 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -131.98 98.69 4.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.049 0.452 . . . . 0.0 111.132 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.6 HH21 ' HB3' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -96.94 169.15 10.03 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.986 179.763 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 3' ' ' GLN . 14.9 mmtp -122.77 62.06 0.99 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.393 179.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.518 ' HB3' ' HB2' ' A' ' 19' ' ' LEU . 21.7 m -82.15 165.94 20.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.283 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.509 ' H ' HD12 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -70.83 175.19 5.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.859 0.361 . . . . 0.0 110.7 179.627 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -63.43 -14.68 53.06 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.161 -0.472 . . . . 0.0 112.092 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.517 ' O ' HD23 ' A' ' 19' ' ' LEU . . . -125.79 59.56 0.65 Allowed Glycine 0 C--N 1.331 0.253 0 C-N-CA 120.336 -0.935 . . . . 0.0 113.145 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.694 HD22 ' O ' ' A' ' 26' ' ' LYS . 78.8 mt -156.3 145.18 20.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 0.0 111.114 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.469 HG12 ' N ' ' A' ' 21' ' ' CYS . 5.8 t -100.57 164.54 2.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.56 179.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.469 ' N ' HG12 ' A' ' 20' ' ' VAL . 1.6 t -117.57 118.54 32.43 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.321 0.582 . . . . 0.0 112.083 -179.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.4 ' O ' ' HB2' ' A' ' 23' ' ' LEU . 0.8 OUTLIER -170.0 99.13 0.29 Allowed 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.148 -0.933 . . . . 0.0 108.962 178.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 5.7 mt 69.74 -56.81 0.56 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.003 0.43 . . . . 0.0 109.848 -178.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -139.63 143.01 37.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.697 178.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.531 ' SG ' HD13 ' A' ' 19' ' ' LEU . 7.9 t -46.56 103.62 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 110.916 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.694 ' O ' HD22 ' A' ' 19' ' ' LEU . 6.0 ttpt -61.97 167.86 3.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.112 -179.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -102.38 -178.1 3.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.88 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.514 ' C ' HD12 ' A' ' 28' ' ' ILE . 2.7 pp -51.51 179.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.411 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.46 HD12 ' H ' ' A' ' 29' ' ' ILE . 0.7 OUTLIER -114.07 174.59 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.0 p30 45.6 -168.91 0.01 OUTLIER 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.407 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.933 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.401 ' CD2' ' O ' ' A' ' 14' ' ' LYS . 1.7 t80 . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.851 0.358 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.439 ' HA ' ' CA ' ' A' ' 15' ' ' CYS . 3.7 m 66.13 101.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.872 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.47 ' HG3' ' CD2' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -49.96 -77.67 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.537 179.761 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.617 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 167.24 51.68 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.185 0.517 . . . . 0.0 111.257 178.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.413 ' HD1' HD22 ' A' ' 19' ' ' LEU . 36.3 t90 56.92 155.11 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.194 178.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.433 ' HG2' ' CD1' ' A' ' 24' ' ' TRP . 11.7 mtt 39.85 28.64 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.034 -0.985 . . . . 0.0 113.349 179.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.589 ' CE3' HG22 ' A' ' 8' ' ' THR . 2.8 p-90 -87.43 172.54 9.73 Favored 'General case' 0 CA--C 1.535 0.398 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 178.151 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.589 HG22 ' CE3' ' A' ' 7' ' ' TRP . 7.5 t -71.71 130.28 40.76 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 -177.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.479 ' HB2' ' NH2' ' A' ' 13' ' ' ARG . 36.8 t -78.89 147.66 33.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 114.665 -1.152 . . . . 0.0 110.701 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.8 p-10 -152.7 -171.13 3.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.041 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -49.91 -33.17 16.53 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.962 0.41 . . . . 0.0 110.536 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -142.15 99.37 3.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.308 179.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.578 ' CD ' ' HB2' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -77.48 111.74 13.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.107 -179.586 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 2' ' ' CYS . 2.0 mptp? -57.66 -23.87 53.69 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.963 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.578 ' HB2' ' CD ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -33.93 152.4 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.928 179.888 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.6 m -68.54 -179.69 1.44 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.487 179.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -79.95 5.33 14.23 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -179.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -106.93 28.06 14.27 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.376 -0.916 . . . . 0.0 113.263 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.413 HD22 ' HD1' ' A' ' 5' ' ' TRP . 22.8 mt -147.03 167.18 24.68 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.982 0.391 . . . . 0.0 111.396 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.47 HG12 ' N ' ' A' ' 21' ' ' CYS . 3.6 t -114.42 165.09 9.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.211 -179.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.482 ' SG ' ' HG3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -107.53 108.72 20.15 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 121.071 0.462 . . . . 0.0 112.001 -179.586 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 24' ' ' TRP . 11.0 mtm180 -170.24 98.75 0.27 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.299 178.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.417 ' HA ' HD13 ' A' ' 23' ' ' LEU . 1.3 mm? 67.21 -61.07 0.35 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.369 -178.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.471 ' HA ' ' O ' ' A' ' 7' ' ' TRP . 2.7 p90 -149.34 141.39 23.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.982 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.473 ' N ' ' NH2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -52.07 115.99 1.98 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.96 0.409 . . . . 0.0 111.443 -179.249 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.7 mtmm -117.39 145.32 44.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.878 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.534 ' NE ' HD11 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -113.43 -178.54 3.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.949 179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.53 HD12 ' H ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -108.39 142.23 21.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.534 HD11 ' NE ' ' A' ' 27' ' ' ARG . 23.8 mm -104.07 159.18 5.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.472 ' N ' HG22 ' A' ' 29' ' ' ILE . 26.2 m-80 -72.44 -48.47 40.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.956 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.313 -0.851 . . . . 0.0 110.931 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.439 ' CD1' ' HG3' ' A' ' 14' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.494 0 CA-C-O 120.786 0.327 . . . . 0.0 110.997 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.426 ' N ' ' O ' ' A' ' 14' ' ' LYS . 50.4 t 63.44 134.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.983 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.428 ' CG ' ' N ' ' A' ' 4' ' ' LYS . 1.9 tt0 -91.42 -81.69 0.32 Allowed 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.026 179.673 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.56 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 178.53 60.66 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.014 0.435 . . . . 0.0 111.554 179.387 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.588 ' CD2' HD21 ' A' ' 19' ' ' LEU . 0.4 OUTLIER 58.41 152.98 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.837 -0.62 . . . . 0.0 112.099 178.763 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.5 ' HA ' ' N ' ' A' ' 25' ' ' CYS . 23.4 mtm 47.47 20.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.25 -0.887 . . . . 0.0 113.163 179.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.946 ' CH2' HG22 ' A' ' 8' ' ' THR . 0.4 OUTLIER -74.44 150.79 39.79 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.322 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.946 HG22 ' CH2' ' A' ' 7' ' ' TRP . 0.7 OUTLIER -54.29 143.93 21.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.277 0.56 . . . . 0.0 112.179 -178.754 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.419 ' HB2' ' NH2' ' A' ' 13' ' ' ARG . 6.5 t -99.25 147.83 24.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.242 179.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -156.17 -164.26 1.65 Allowed 'General case' 0 C--O 1.232 0.166 0 C-N-CA 120.949 -0.301 . . . . 0.0 111.267 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -49.74 -46.8 50.81 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 121.061 0.458 . . . . 0.0 110.3 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -126.23 98.75 5.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.99 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.591 HH11 ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -75.17 99.94 4.13 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.871 -179.208 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.439 ' HG3' ' CD1' ' A' ' 1' ' ' TYR . 0.0 OUTLIER -59.96 -24.09 64.12 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.073 0.463 . . . . 0.0 110.089 178.704 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.523 ' CB ' ' HD3' ' A' ' 13' ' ' ARG . 0.4 OUTLIER -36.56 161.27 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.18 -0.918 . . . . 0.0 112.106 179.539 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 24.5 m -60.98 155.4 20.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.613 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -68.93 -11.71 60.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.849 -179.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -100.01 43.27 1.81 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.93 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.588 HD21 ' CD2' ' A' ' 5' ' ' TRP . 19.5 mt -146.7 162.17 39.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.788 0.327 . . . . 0.0 111.115 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.48 HG12 ' N ' ' A' ' 21' ' ' CYS . 18.8 t -100.11 160.08 3.59 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.261 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.48 ' N ' HG12 ' A' ' 20' ' ' VAL . 0.1 OUTLIER -108.91 102.19 11.22 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.137 0.494 . . . . 0.0 111.82 -179.694 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' A' ' 24' ' ' TRP . 27.7 mtm-85 -170.26 99.13 0.27 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.565 179.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.4 mt 69.41 -61.64 0.43 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.974 0.416 . . . . 0.0 110.11 -178.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.411 ' N ' ' O ' ' A' ' 22' ' ' ARG . 1.3 p90 -149.19 151.52 34.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.988 179.165 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.5 ' N ' ' HA ' ' A' ' 6' ' ' MET . 0.8 OUTLIER -56.79 101.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.989 0.423 . . . . 0.0 111.142 -179.494 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -97.81 137.8 36.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.942 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.8 178.3 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.442 ' O ' HD12 ' A' ' 28' ' ' ILE . 1.1 pp -150.17 99.96 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.089 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.479 HG22 ' N ' ' A' ' 30' ' ' ASN . 24.5 mm -102.98 159.07 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.479 ' N ' HG22 ' A' ' 29' ' ' ILE . 2.2 m-20 -104.17 -34.83 8.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 9.2 tpt . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.907 179.949 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.427 ' CD1' ' HG3' ' A' ' 14' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.488 1.471 0 CA-C-O 120.818 0.342 . . . . 0.0 110.953 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.468 ' HA ' ' N ' ' A' ' 16' ' ' CYS . 38.5 t 63.21 125.89 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.93 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -101.63 -72.59 0.68 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.467 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.42 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 177.42 134.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.872 179.611 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.442 ' CD1' ' HD2' ' A' ' 27' ' ' ARG . 8.0 t90 -53.82 147.98 10.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.019 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.44 ' HB2' ' CE3' ' A' ' 5' ' ' TRP . 2.8 ttt 83.37 -45.71 0.12 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.736 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.491 ' HB3' ' NH2' ' A' ' 13' ' ' ARG . 3.3 t90 -40.04 161.12 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -179.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -41.03 140.39 0.76 Allowed 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.318 -0.856 . . . . 0.0 112.421 -179.434 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.486 ' HA ' ' CD ' ' A' ' 13' ' ' ARG . 1.8 t -121.4 152.02 39.52 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.796 179.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -148.91 -162.69 1.61 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.284 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -50.51 -41.23 53.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.975 0.417 . . . . 0.0 110.624 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -170.2 99.88 0.28 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.577 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.546 ' HG3' ' H ' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -95.66 -175.78 3.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.829 0.347 . . . . 0.0 111.209 -179.864 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 15' ' ' CYS . 8.6 mptt -68.99 -24.56 64.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 112.132 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.546 ' H ' ' HG3' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -25.61 121.34 0.07 Allowed 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.372 0.42 . . . . 0.0 112.11 -179.399 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.468 ' N ' ' HA ' ' A' ' 2' ' ' CYS . 0.1 OUTLIER -44.4 151.58 0.25 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.084 -179.68 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -51.74 -24.75 6.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.795 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.419 ' O ' HD23 ' A' ' 19' ' ' LEU . . . -89.53 48.41 3.34 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.71 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.419 HD23 ' O ' ' A' ' 18' ' ' GLY . 93.1 mt -156.64 139.52 15.27 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.831 0.348 . . . . 0.0 111.219 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.496 HG22 ' N ' ' A' ' 21' ' ' CYS . 9.3 p -88.21 160.38 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.076 179.068 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.496 ' N ' HG22 ' A' ' 20' ' ' VAL . 1.3 t -124.83 118.23 25.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.417 0.627 . . . . 0.0 112.242 -179.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 24' ' ' TRP . 9.1 mtm180 -170.1 99.11 0.28 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.102 -0.954 . . . . 0.0 108.865 178.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 mt 68.04 -62.05 0.36 Allowed 'General case' 0 N--CA 1.463 0.175 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -178.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.425 ' N ' ' O ' ' A' ' 22' ' ' ARG . 0.9 OUTLIER -137.99 124.76 21.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.454 178.798 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -44.01 133.41 5.08 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.916 0.388 . . . . 0.0 111.538 -179.223 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.437 ' HA ' ' CD1' ' A' ' 5' ' ' TRP . 35.1 mtpt -126.79 170.53 12.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.918 -179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.442 ' HD2' ' CD1' ' A' ' 5' ' ' TRP . 0.0 OUTLIER -123.38 168.26 12.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.907 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.458 HD13 ' HA ' ' A' ' 28' ' ' ILE . 3.2 mm -41.68 149.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 121.166 0.508 . . . . 0.0 112.072 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.3 mp -140.95 115.68 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.17 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -141.85 161.23 38.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 7.8 ttt . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.934 -179.971 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.468 ' CZ ' ' HG2' ' A' ' 14' ' ' LYS . 1.5 p90 . . . . . 0 N--CA 1.488 1.473 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.475 ' HB2' ' CA ' ' A' ' 16' ' ' CYS . 36.7 t 63.07 127.68 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.116 0.484 . . . . 0.0 111.061 179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -82.16 -80.96 0.15 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.107 179.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.531 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 175.19 63.65 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.18 0.514 . . . . 0.0 110.94 179.214 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.409 ' CE3' ' HG2' ' A' ' 6' ' ' MET . 32.2 t90 59.7 152.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.363 179.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.443 ' N ' ' HB2' ' A' ' 25' ' ' CYS . 3.3 ptt? 39.83 68.43 0.38 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.787 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.507 ' CD1' ' HG3' ' A' ' 13' ' ' ARG . 0.6 OUTLIER -118.73 152.62 35.81 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 178.173 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.452 ' O ' ' CE2' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -52.12 114.45 1.33 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.807 0.337 . . . . 0.0 111.815 -179.676 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 3.9 t -91.78 135.73 33.69 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.225 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -161.69 -164.82 1.16 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.023 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -49.9 -36.64 28.14 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.892 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -138.32 99.42 3.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.691 179.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.507 ' HG3' ' CD1' ' A' ' 7' ' ' TRP . 0.1 OUTLIER -105.83 157.02 17.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.635 -179.874 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.468 ' HG2' ' CZ ' ' A' ' 1' ' ' TYR . 2.2 mptt -92.37 -32.66 14.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.259 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.464 ' HB2' ' CD ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -30.56 146.93 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.125 -179.656 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.475 ' CA ' ' HB2' ' A' ' 2' ' ' CYS . 0.1 OUTLIER -70.92 160.74 32.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.837 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -64.77 -13.49 55.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.052 -0.522 . . . . 0.0 112.151 -179.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.67 39.92 3.08 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.466 -0.874 . . . . 0.0 112.84 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.529 HD13 ' SG ' ' A' ' 25' ' ' CYS . 25.1 mt -151.97 154.25 35.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.788 0.328 . . . . 0.0 110.971 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.6 t -88.9 153.8 3.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.944 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -106.45 107.63 18.74 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.113 0.483 . . . . 0.0 111.817 -179.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.446 ' O ' ' HB2' ' A' ' 23' ' ' LEU . 1.4 ttt-85 -170.03 99.36 0.29 Allowed 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.556 179.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.511 HD22 ' N ' ' A' ' 23' ' ' LEU . 3.0 mm? 67.84 -60.99 0.39 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.308 -178.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.427 ' N ' ' O ' ' A' ' 22' ' ' ARG . 6.1 p90 -154.78 138.89 16.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.876 179.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.529 ' SG ' HD13 ' A' ' 19' ' ' LEU . 1.2 m -41.42 127.9 3.02 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.907 0.384 . . . . 0.0 111.678 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -113.52 149.03 34.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.825 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.44 -178.74 3.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.651 HD13 ' H ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -140.27 138.78 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.126 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.512 HD12 ' N ' ' A' ' 29' ' ' ILE . 3.7 mp -111.33 135.74 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.11 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 62.81 -79.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.075 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 9.7 ttm . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.219 -0.895 . . . . 0.0 110.946 179.938 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.49 ' CE2' ' CG ' ' A' ' 14' ' ' LYS . 1.5 p90 . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 20.2 t 62.42 135.18 0.01 OUTLIER 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 120.907 0.384 . . . . 0.0 111.485 179.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.467 ' O ' ' CB ' ' A' ' 4' ' ' LYS . 0.7 OUTLIER -70.06 -77.01 0.09 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 178.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.565 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 157.37 58.67 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.157 0.503 . . . . 0.0 110.901 178.592 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.435 ' CD2' ' HG3' ' A' ' 6' ' ' MET . 23.9 t90 59.91 144.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.62 179.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.435 ' HG3' ' CD2' ' A' ' 5' ' ' TRP . 9.5 mtp 55.29 47.7 20.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.943 179.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.947 ' CH2' HG22 ' A' ' 8' ' ' THR . 1.0 OUTLIER -114.4 137.17 52.17 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 178.616 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.947 HG22 ' CH2' ' A' ' 7' ' ' TRP . 0.6 OUTLIER -41.18 148.6 0.12 Allowed 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -178.338 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.465 ' SG ' ' HG2' ' A' ' 13' ' ' ARG . 4.1 t -111.17 164.49 12.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.101 179.44 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -177.64 -170.5 0.27 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.441 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -49.91 -30.47 10.25 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.048 0.451 . . . . 0.0 110.657 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -157.31 99.71 1.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.06 179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.675 ' HD2' ' HB2' ' A' ' 15' ' ' CYS . 0.0 OUTLIER -119.59 148.37 43.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.141 0.496 . . . . 0.0 111.495 -179.05 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.49 ' CG ' ' CE2' ' A' ' 1' ' ' TYR . 0.1 OUTLIER -41.94 -92.41 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.185 -179.696 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.675 ' HB2' ' HD2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER 58.68 164.35 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.863 0.363 . . . . 0.0 110.373 -179.169 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.997 ' H ' HD12 ' A' ' 19' ' ' LEU . 11.1 m -102.6 174.55 5.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.497 179.157 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -57.65 -20.59 34.46 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.695 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.35 65.24 0.45 Allowed Glycine 0 CA--C 1.518 0.256 0 C-N-CA 120.455 -0.879 . . . . 0.0 113.401 -179.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.997 HD12 ' H ' ' A' ' 16' ' ' CYS . 95.6 mt -151.06 140.85 21.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.867 0.365 . . . . 0.0 111.252 179.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -92.93 -169.97 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.499 179.761 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.486 ' H ' HG12 ' A' ' 20' ' ' VAL . 54.1 t -125.66 113.22 17.08 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.181 0.515 . . . . 0.0 112.157 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.459 ' O ' ' N ' ' A' ' 24' ' ' TRP . 7.9 mtt180 -170.38 98.39 0.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.098 178.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.9 mt 66.71 -60.51 0.34 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.329 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.459 ' N ' ' O ' ' A' ' 22' ' ' ARG . 1.2 p90 -148.2 152.74 37.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.163 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.908 ' HB3' HD13 ' A' ' 19' ' ' LEU . 96.0 m -42.92 124.07 3.0 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.844 0.354 . . . . 0.0 111.399 -179.531 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.544 ' O ' HG23 ' A' ' 20' ' ' VAL . 6.6 mtmt -134.23 139.95 46.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.949 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.799 ' HB3' HD23 ' A' ' 19' ' ' LEU . 0.1 OUTLIER -135.77 154.01 51.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.738 ' O ' HD12 ' A' ' 28' ' ' ILE . 2.7 pp -140.99 130.58 25.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.592 HD12 ' C ' ' A' ' 28' ' ' ILE . 3.5 mp -145.42 109.44 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.15 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -138.07 -67.16 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.7 ttt . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.247 -0.883 . . . . 0.0 110.922 -179.998 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.421 ' CE1' ' HD2' ' A' ' 14' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 120.799 0.333 . . . . 0.0 111.139 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 3.4 m 74.16 103.86 0.07 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.318 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.576 ' O ' ' CB ' ' A' ' 4' ' ' LYS . 0.6 OUTLIER -56.46 -48.87 76.18 Favored 'General case' 0 C--N 1.333 -0.152 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.011 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.576 ' CB ' ' O ' ' A' ' 3' ' ' GLN . 0.0 OUTLIER 130.81 65.36 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.951 178.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.43 ' CE2' ' HG3' ' A' ' 6' ' ' MET . 38.4 t90 59.23 146.09 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.029 179.147 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.43 ' HG3' ' CE2' ' A' ' 5' ' ' TRP . 5.0 mtm 41.75 65.22 0.9 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.355 -0.839 . . . . 0.0 112.814 179.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.665 ' CD1' ' HD2' ' A' ' 13' ' ' ARG . 0.2 OUTLIER -118.41 130.79 56.18 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 178.714 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -39.68 121.41 1.24 Allowed 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -178.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.631 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -85.57 160.38 19.65 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.157 179.361 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -176.13 -160.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.462 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 mp0 -49.99 -28.34 6.76 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.856 0.36 . . . . 0.0 111.112 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.6 pm0 -153.41 100.66 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.622 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.665 ' HD2' ' CD1' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -100.75 109.85 21.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.819 -179.706 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 3' ' ' GLN . 14.6 mmtt -71.57 61.99 0.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.105 179.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.563 ' HB2' ' CG ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -109.37 149.52 29.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.015 179.556 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -61.86 157.54 18.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.937 0.398 . . . . 0.0 110.852 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -65.9 -11.53 47.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.284 -178.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.405 ' C ' ' HG ' ' A' ' 19' ' ' LEU . . . -91.12 34.48 4.26 Favored Glycine 0 CA--C 1.517 0.178 0 C-N-CA 120.375 -0.917 . . . . 0.0 112.931 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.542 HD13 ' SG ' ' A' ' 25' ' ' CYS . 11.6 mt -148.06 161.96 40.34 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.764 0.316 . . . . 0.0 111.135 -179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.415 ' O ' ' NH2' ' A' ' 13' ' ' ARG . 21.3 t -110.84 145.89 16.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.93 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.525 ' HA ' ' NH2' ' A' ' 13' ' ' ARG . 49.3 t -87.14 110.7 20.31 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.047 0.451 . . . . 0.0 112.022 -179.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 24' ' ' TRP . 4.1 mtp180 -170.17 98.85 0.28 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.223 178.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.498 HD12 ' CZ3' ' A' ' 24' ' ' TRP . 1.6 mm? 67.14 -60.8 0.36 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.256 -178.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.498 ' CZ3' HD12 ' A' ' 23' ' ' LEU . 2.6 p90 -158.19 136.93 11.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.928 179.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.542 ' SG ' HD13 ' A' ' 19' ' ' LEU . 1.2 m -41.71 116.73 0.82 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.031 0.443 . . . . 0.0 111.885 -179.448 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -118.93 148.35 43.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.735 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.58 142.51 48.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.434 ' CG2' ' N ' ' A' ' 29' ' ' ILE . 3.7 mm -46.06 156.29 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.136 0.493 . . . . 0.0 111.628 -179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.434 ' N ' ' CG2' ' A' ' 28' ' ' ILE . 37.1 mm -51.0 100.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.307 -179.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -158.97 -175.92 5.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.402 ' CE2' ' O ' ' A' ' 13' ' ' ARG . 1.2 t80 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.804 0.335 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 2.9 m 70.63 97.45 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.705 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.599 ' HB3' ' HD3' ' A' ' 4' ' ' LYS . 10.0 mt-30 -70.15 -65.63 0.7 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.729 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.599 ' HD3' ' HB3' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -175.94 34.12 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 179.617 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.428 ' CE3' ' HG2' ' A' ' 6' ' ' MET . 1.0 OUTLIER 65.46 161.37 0.13 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.815 0.34 . . . . 0.0 110.256 -179.831 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.556 ' HA ' ' N ' ' A' ' 25' ' ' CYS . 21.4 ptt? 45.9 46.19 12.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.601 -179.501 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.514 ' CE2' ' O ' ' A' ' 8' ' ' THR . 1.1 t-105 -94.25 154.64 17.43 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 121.031 0.443 . . . . 0.0 110.923 179.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.514 ' O ' ' CE2' ' A' ' 7' ' ' TRP . 0.0 OUTLIER -59.74 108.02 0.68 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.856 -0.611 . . . . 0.0 112.19 -179.881 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.559 ' HA ' ' NH1' ' A' ' 13' ' ' ARG . 49.4 t -58.32 134.0 56.19 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.729 179.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -165.57 -164.98 0.78 Allowed 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.428 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -49.77 -28.07 5.76 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.815 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -138.91 98.93 3.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.03 0.443 . . . . 0.0 111.209 179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.559 ' NH1' ' HA ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -71.84 99.8 2.27 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.599 179.498 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -57.62 -60.99 2.84 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.953 -179.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 p -41.0 145.59 0.2 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.079 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -44.79 139.62 2.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.852 -179.028 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.78 -26.86 48.14 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.536 -179.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -51.34 -24.62 10.82 Favored Glycine 0 CA--C 1.518 0.22 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.198 179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.78 HD13 ' HB3' ' A' ' 25' ' ' CYS . 6.9 mt -88.99 -175.63 4.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.477 0.179 . . . . 0.0 110.667 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 21.2 t -115.07 151.51 16.8 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-O 120.745 0.307 . . . . 0.0 111.704 -179.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.452 ' SG ' ' HD2' ' A' ' 13' ' ' ARG . 0.6 OUTLIER -95.96 99.78 11.53 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.414 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.435 HH21 HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -170.33 99.49 0.27 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.886 179.42 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.736 HD12 ' CE3' ' A' ' 24' ' ' TRP . 0.2 OUTLIER 70.34 -61.6 0.46 Allowed 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -178.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.736 ' CE3' HD12 ' A' ' 23' ' ' LEU . 9.0 p90 -157.4 136.08 11.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.856 179.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.78 ' HB3' HD13 ' A' ' 19' ' ' LEU . 1.1 m -45.68 112.71 0.49 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-O 120.908 0.385 . . . . 0.0 111.405 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.452 ' O ' HD23 ' A' ' 19' ' ' LEU . 10.6 ttpt -105.02 142.3 35.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.94 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.47 160.15 16.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.946 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.562 ' O ' HD12 ' A' ' 28' ' ' ILE . 1.1 pp -52.16 163.35 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.397 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.49 HG22 ' N ' ' A' ' 30' ' ' ASN . 33.1 mm -68.14 158.64 5.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.044 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.49 ' N ' HG22 ' A' ' 29' ' ' ILE . 3.9 m120 -59.81 101.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 1.6 t80 . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.809 0.338 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 20.6 m 69.84 101.03 0.06 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.14 -79.36 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.123 0 CA-C-O 120.776 0.322 . . . . 0.0 110.358 179.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.485 ' HA ' ' CE ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER 175.75 52.53 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.967 0.413 . . . . 0.0 111.397 179.289 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.553 ' HD1' HD21 ' A' ' 19' ' ' LEU . 48.5 t90 60.39 157.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.258 0.552 . . . . 0.0 111.614 179.09 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.465 ' HB2' ' CD2' ' A' ' 5' ' ' TRP . 2.6 tmm? 46.55 27.16 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.576 179.532 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.924 ' CZ2' HG22 ' A' ' 8' ' ' THR . 1.6 t-105 -85.04 154.2 22.24 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 178.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.924 HG22 ' CZ2' ' A' ' 7' ' ' TRP . 0.4 OUTLIER -49.16 154.95 0.73 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.028 0.442 . . . . 0.0 111.689 -179.683 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 2.5 t -144.92 144.72 31.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.941 179.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -165.26 -85.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.817 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -101.56 -50.25 3.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.014 0.435 . . . . 0.0 110.208 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -141.51 99.57 3.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.795 179.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.489 HH22 ' HA ' ' A' ' 21' ' ' CYS . 1.9 ptp85 -84.41 -170.03 2.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.361 -179.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.508 ' HD3' ' CE2' ' A' ' 7' ' ' TRP . 0.7 OUTLIER -115.99 -63.4 1.46 Allowed 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -178.774 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 2' ' ' CYS . 0.8 OUTLIER -32.92 143.76 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 120.87 0.367 . . . . 0.0 111.127 -178.269 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.5 m -45.17 140.88 2.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.913 -178.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.19 -24.4 4.21 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.213 -179.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -49.78 -24.54 6.11 Favored Glycine 0 CA--C 1.519 0.288 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.612 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.553 HD21 ' HD1' ' A' ' 5' ' ' TRP . 1.4 mt -94.49 135.3 36.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.653 0.263 . . . . 0.0 111.235 -179.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.552 HG22 ' O ' ' A' ' 26' ' ' LYS . 27.7 m -68.12 161.81 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.907 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.489 ' HA ' HH22 ' A' ' 13' ' ' ARG . 49.0 t -105.39 115.04 29.59 Favored 'General case' 0 C--O 1.232 0.14 0 CA-C-O 121.404 0.621 . . . . 0.0 112.345 -179.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 24' ' ' TRP . 1.5 mtt85 -170.39 99.03 0.26 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.151 -0.931 . . . . 0.0 108.964 178.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.46 ' HA ' HD23 ' A' ' 23' ' ' LEU . 6.0 mt 67.86 -62.01 0.36 Allowed 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -178.324 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.429 ' N ' ' O ' ' A' ' 22' ' ' ARG . 1.9 p90 -141.71 -173.82 3.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.652 178.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.457 ' HB3' HD22 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -86.54 112.93 22.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.958 0.409 . . . . 0.0 111.102 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.552 ' O ' HG22 ' A' ' 20' ' ' VAL . 14.1 ptmt -124.7 130.21 51.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.927 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.446 ' CZ ' ' CD1' ' A' ' 5' ' ' TRP . 5.5 mpt_? -67.11 -178.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.834 ' O ' HD12 ' A' ' 28' ' ' ILE . 2.6 pp -128.27 148.43 32.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.144 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.474 HG22 ' N ' ' A' ' 30' ' ' ASN . 30.6 mm -95.35 158.75 2.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.061 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.474 ' N ' HG22 ' A' ' 29' ' ' ILE . 3.7 p30 -154.21 -178.22 6.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.833 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 51.9 ttp . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.89 179.987 . . . . . . . . 0 0 . 1 stop_ save_