data_1drs_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 1drs _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 ' 1' ' ' ARG . . . . . 0.514 HH12 ' CG ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 1 N--CA 1.541 4.084 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 . . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 73.1 mt -121.78 127.78 75.56 Favored 'Isoleucine or valine' 0 C--N 1.383 2.064 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.9 m -144.0 134.55 24.81 Favored 'General case' 0 C--N 1.383 2.05 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -78.81 154.23 30.05 Favored 'General case' 0 C--N 1.386 2.193 0 O-C-N 120.161 -1.587 . . . . 0.0 111.546 -169.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -139.69 59.78 1.58 Allowed 'General case' 0 C--N 1.386 2.188 0 N-CA-C 103.936 -2.616 . . . . 0.0 103.936 172.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.199 18.2 m170 -102.63 -166.35 1.27 Allowed 'General case' 0 C--N 1.385 2.145 0 C-N-CA 128.002 2.521 . . . . 0.0 112.714 -178.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.557 ' H ' ' HA ' ' A' ' 11' ' ' PRO 0.37 84.9 mt 68.39 -174.89 0.19 Allowed 'General case' 0 C--N 1.384 2.075 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 171.41 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.31 -40.26 2.98 Favored Glycine 0 C--N 1.389 3.512 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.099 -166.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.9 m -179.88 -42.58 0.01 OUTLIER 'General case' 0 C--N 1.384 2.087 0 C-N-CA 126.519 1.928 . . . . 0.0 106.065 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -103.3 100.85 19.43 Favored Pre-proline 0 CA--C 1.583 2.216 0 C-N-CA 124.985 1.314 . . . . 0.0 107.934 -171.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.557 ' HA ' ' H ' ' A' ' 7' ' ' LEU 0.293 38.1 Cg_endo -91.83 6.17 3.53 Favored 'Trans proline' 0 C--N 1.409 3.749 0 N-CA-C 120.956 3.406 . . . . 0.0 120.956 -175.528 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -82.8 -22.41 4.39 Favored 'Trans proline' 0 C--N 1.404 3.486 1 N-CA-C 124.145 4.633 . . . . 0.0 124.145 -176.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.0 p -85.86 146.33 26.79 Favored 'General case' 0 C--N 1.396 2.627 0 CA-C-N 124.331 3.241 . . . . 0.0 114.891 -173.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 70.4 p -135.08 138.22 43.62 Favored 'General case' 0 C--N 1.381 1.948 0 CA-C-N 113.162 -1.836 . . . . 0.0 108.042 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -96.4 101.37 12.99 Favored 'General case' 0 C--N 1.38 1.906 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 -173.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 60.2 m -82.6 85.79 6.93 Favored 'General case' 0 C--N 1.385 2.122 0 N-CA-C 100.248 -3.982 . . . . 0.0 100.248 173.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.6 t -117.22 156.81 27.09 Favored 'General case' 0 C--N 1.389 2.285 0 CA-C-O 123.632 1.682 . . . . 0.0 113.79 -162.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -97.23 5.28 50.33 Favored 'General case' 0 C--N 1.378 1.841 0 CA-C-N 112.862 -1.972 . . . . 0.0 114.47 -172.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -80.56 146.07 31.45 Favored 'General case' 0 C--N 1.391 2.396 0 CA-C-N 122.124 2.238 . . . . 0.0 110.922 -177.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.514 ' CG ' HH12 ' A' ' 1' ' ' ARG 2.047 1.6 m-20 -57.96 -3.94 0.27 Allowed 'General case' 0 C--N 1.39 2.338 0 C-N-CA 130.398 3.479 . . . . 0.0 113.273 176.835 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.4 t -161.58 146.22 13.18 Favored 'General case' 0 C--N 1.383 2.057 0 O-C-N 120.418 -1.426 . . . . 0.0 108.792 -177.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.2 p -138.9 156.4 47.31 Favored 'General case' 0 C--N 1.389 2.298 0 CA-C-O 122.969 1.366 . . . . 0.0 111.511 170.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -119.83 149.13 42.57 Favored 'General case' 0 C--N 1.375 1.682 0 CA-C-N 113.423 -1.717 . . . . 0.0 113.558 -170.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -111.88 109.93 19.99 Favored 'General case' 0 C--N 1.386 2.18 0 N-CA-C 103.916 -2.624 . . . . 0.0 103.916 176.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.52 ' HA ' ' HE1' ' A' ' 27' ' ' TRP . 1.2 t30 -115.27 116.83 28.97 Favored 'General case' 0 CA--C 1.584 2.266 0 N-CA-C 103.718 -2.697 . . . . 0.0 103.718 -176.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.69 7.33 6.24 Favored 'Isoleucine or valine' 0 C--N 1.391 2.373 0 N-CA-C 115.945 1.831 . . . . 0.0 115.945 -165.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.527 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -117.86 -83.69 0.64 Allowed 'General case' 0 CA--C 1.574 1.878 0 C-N-CA 131.557 3.943 . . . . 0.0 105.051 -167.284 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.282 14.4 t 73.74 -81.31 0.03 OUTLIER 'General case' 0 C--N 1.386 2.181 0 C-N-CA 127.58 2.352 . . . . 0.0 108.084 179.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -179.7 -55.72 0.01 OUTLIER 'General case' 0 C--N 1.386 2.171 0 N-CA-C 105.164 -2.161 . . . . 0.0 105.164 -174.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -69.27 9.24 0.46 Allowed 'General case' 0 CA--C 1.578 2.042 0 C-N-CA 130.587 3.555 . . . . 0.0 112.342 174.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 59.51 66.34 1.03 Allowed 'General case' 0 C--N 1.391 2.408 0 C-N-CA 126.471 1.908 . . . . 0.0 106.084 175.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 tp -149.66 164.77 3.6 Favored 'Isoleucine or valine' 0 C--N 1.392 2.426 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -171.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.9 mp -104.53 95.61 3.95 Favored 'Isoleucine or valine' 0 C--N 1.386 2.184 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.84 118.6 11.71 Favored 'General case' 0 C--N 1.385 2.115 0 N-CA-C 104.619 -2.363 . . . . 0.0 104.619 -175.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -152.57 -171.02 3.8 Favored 'General case' 0 C--N 1.39 2.345 0 C-N-CA 118.834 -1.147 . . . . 0.0 113.654 -158.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -179.71 176.19 47.39 Favored Glycine 0 C--N 1.394 3.801 1 C-N-CA 113.521 -4.18 . . . . 0.0 118.953 -173.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.0 p -82.82 101.68 11.12 Favored 'General case' 0 C--N 1.389 2.3 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 177.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.52 -117.99 0.45 Allowed Glycine 0 C--N 1.396 3.869 0 N-CA-C 107.221 -2.351 . . . . 0.0 107.221 177.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.398 14.2 t 83.01 -126.27 0.01 OUTLIER 'General case' 0 C--N 1.385 2.151 0 O-C-N 121.418 -1.048 . . . . 0.0 110.736 173.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 . . . . . 0 C--N 1.387 2.234 0 O-C-N 121.256 -0.902 . . . . 0.0 110.773 -179.66 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 2.543 0 CA-C-O 122.004 0.78 . . . . 0.0 113.644 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -79.32 170.13 17.89 Favored 'Trans proline' 0 C--N 1.383 2.391 0 C-N-CA 123.83 3.02 . . . . 0.0 110.527 173.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . 0.276 0.4 OUTLIER -72.58 129.73 38.95 Favored 'General case' 0 C--N 1.396 2.59 0 C-N-CA 116.051 -2.26 . . . . 0.0 105.701 178.342 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.4 m -123.35 127.82 49.03 Favored 'General case' 0 C--N 1.391 2.402 0 CA-C-O 122.858 1.313 . . . . 0.0 108.894 -172.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 45.5 t -123.93 173.52 8.16 Favored 'General case' 0 C--N 1.382 2.02 0 C-N-CA 126.168 1.787 . . . . 0.0 113.183 -173.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -131.12 56.28 1.81 Allowed 'General case' 0 C--N 1.385 2.12 0 CA-C-O 122.103 0.954 . . . . 0.0 109.582 -178.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.0 t -150.29 155.57 39.92 Favored 'General case' 0 C--N 1.383 2.035 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.36 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.575 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 17.0 t70 -64.54 129.17 38.85 Favored 'General case' 0 C--N 1.388 2.253 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 177.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.575 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.256 36.9 mmtm 72.21 -68.0 0.24 Allowed 'General case' 0 C--N 1.394 2.536 0 C-N-CA 128.087 2.555 . . . . 0.0 107.944 -175.588 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.295 42.4 t 62.11 65.83 0.86 Allowed 'General case' 0 C--N 1.378 1.842 0 C-N-CA 127.155 2.182 . . . . 0.0 106.319 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.4 t30 77.12 60.28 0.04 OUTLIER 'General case' 0 C--N 1.389 2.303 0 C-N-CA 126.144 1.778 . . . . 0.0 111.094 168.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . 0.268 19.3 tp . . . . . 0 CA--C 1.581 2.164 0 C-N-CA 129.061 2.944 . . . . 0.0 107.407 174.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.464 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.5 OUTLIER . . . . . 0 N--CA 1.531 3.592 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -92.25 132.03 37.7 Favored 'Isoleucine or valine' 0 C--N 1.389 2.287 0 CA-C-O 122.407 1.099 . . . . 0.0 109.434 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 83.0 m -143.86 151.41 39.84 Favored 'General case' 0 C--N 1.386 2.169 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 163.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.5 m-30 -92.82 166.22 12.53 Favored 'General case' 0 C--N 1.387 2.217 0 C-N-CA 118.048 -1.461 . . . . 0.0 112.893 -171.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -142.06 52.28 1.48 Allowed 'General case' 0 C--N 1.38 1.925 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 171.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.176 8.8 m170 -81.78 -160.91 0.39 Allowed 'General case' 0 C--N 1.386 2.176 0 C-N-CA 126.616 1.967 . . . . 0.0 110.967 173.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.277 63.0 mt 64.66 -164.74 0.24 Allowed 'General case' 0 C--N 1.385 2.117 0 CA-C-O 123.123 1.44 . . . . 0.0 113.015 170.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.37 -55.36 4.51 Favored Glycine 0 C--N 1.384 3.244 0 N-CA-C 107.593 -2.203 . . . . 0.0 107.593 -166.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.0 m -168.98 -43.79 0.02 OUTLIER 'General case' 0 C--N 1.381 1.978 0 N-CA-C 107.378 -1.341 . . . . 0.0 107.378 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -86.9 156.15 55.34 Favored Pre-proline 0 C--N 1.388 2.25 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 -168.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -55.05 161.98 5.93 Favored 'Trans proline' 0 C--N 1.402 3.377 0 C-N-CA 123.626 2.884 . . . . 0.0 117.653 -178.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -50.01 136.25 36.87 Favored 'Trans proline' 0 C--N 1.396 3.043 0 C-N-CA 123.981 3.121 . . . . 0.0 116.21 -177.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.31 47.0 p -160.41 137.94 9.52 Favored 'General case' 0 C--N 1.392 2.455 0 N-CA-C 104.713 -2.329 . . . . 0.0 104.713 177.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.8 p -125.92 157.66 37.14 Favored 'General case' 0 C--N 1.388 2.262 0 N-CA-C 114.914 1.449 . . . . 0.0 114.914 -163.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -117.39 94.47 4.57 Favored 'General case' 0 C--N 1.39 2.368 0 N-CA-C 106.884 -1.525 . . . . 0.0 106.884 -174.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.6 m -77.1 107.04 9.18 Favored 'General case' 0 C--N 1.389 2.312 0 N-CA-C 102.346 -3.205 . . . . 0.0 102.346 172.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.5 t -118.44 152.98 34.87 Favored 'General case' 0 C--N 1.393 2.492 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -168.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -96.82 -21.12 17.71 Favored 'General case' 0 C--N 1.387 2.208 0 CA-C-N 114.664 -1.153 . . . . 0.0 112.909 177.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -64.34 125.57 25.04 Favored 'General case' 0 C--N 1.395 2.579 0 N-CA-C 103.655 -2.72 . . . . 0.0 103.655 173.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.15 40.5 m-20 -64.38 9.9 0.07 Allowed 'General case' 0 C--N 1.39 2.343 0 C-N-CA 127.227 2.211 . . . . 0.0 114.844 -169.437 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.9 t -153.62 143.6 22.04 Favored 'General case' 0 C--N 1.386 2.161 0 CA-C-N 120.482 1.492 . . . . 0.0 107.999 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.9 p -146.61 165.12 30.47 Favored 'General case' 0 C--N 1.381 1.956 0 CA-C-N 114.905 -1.043 . . . . 0.0 112.012 176.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -147.15 161.82 40.11 Favored 'General case' 0 C--N 1.388 2.275 0 N-CA-C 116.388 1.995 . . . . 0.0 116.388 -161.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.619 ' HZ3' ' C ' ' A' ' 59' ' ' LEU . 61.8 mmtt -107.15 118.83 37.75 Favored 'General case' 0 C--N 1.385 2.115 0 CA-C-N 111.312 -2.676 . . . . 0.0 106.732 -177.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.535 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 1.6 t30 -119.29 128.88 54.55 Favored 'General case' 0 CA--C 1.583 2.225 0 N-CA-C 103.898 -2.63 . . . . 0.0 103.898 -175.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.38 -40.71 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.402 2.876 0 N-CA-C 116.532 2.049 . . . . 0.0 116.532 -149.135 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.57 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -52.07 -93.73 0.0 OUTLIER 'General case' 0 CA--C 1.578 2.045 0 C-N-CA 130.934 3.693 . . . . 0.0 107.508 169.069 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.8 t 78.8 -19.49 0.44 Allowed 'General case' 0 C--N 1.389 2.321 0 C-N-CA 125.029 1.332 . . . . 0.0 112.69 172.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . 0.316 62.1 m-85 84.72 -51.54 0.1 Allowed 'General case' 0 C--N 1.39 2.327 0 C-N-CA 126.476 1.91 . . . . 0.0 107.912 -174.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -68.8 -11.29 60.24 Favored 'General case' 0 CA--C 1.577 1.982 0 CA-C-O 117.009 -1.472 . . . . 0.0 110.899 172.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 70.43 76.17 0.2 Allowed 'General case' 0 C--N 1.396 2.606 0 CA-C-N 122.435 2.379 . . . . 0.0 106.915 174.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 tp -162.01 164.54 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.392 2.438 0 C-N-CA 117.433 -1.707 . . . . 0.0 113.354 -176.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.0 mm -91.07 87.99 2.74 Favored 'Isoleucine or valine' 0 C--N 1.384 2.079 0 N-CA-C 104.23 -2.507 . . . . 0.0 104.23 177.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.01 131.57 23.92 Favored 'General case' 0 C--N 1.386 2.165 0 N-CA-C 104.137 -2.542 . . . . 0.0 104.137 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.4 HH11 ' HG2' ' A' ' 35' ' ' ARG . 1.1 ptt-85 -171.46 -162.12 0.22 Allowed 'General case' 0 C--N 1.407 3.073 0 C-N-CA 116.29 -2.164 . . . . 0.0 113.302 -142.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -172.69 179.74 43.99 Favored Glycine 1 C--N 1.399 4.067 1 C-N-CA 113.532 -4.175 . . . . 0.0 120.979 -173.835 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 44.1 t -96.65 108.96 21.67 Favored 'General case' 0 C--N 1.388 2.25 0 CA-C-N 113.369 -1.416 . . . . 0.0 107.621 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.95 -78.35 0.04 OUTLIER Glycine 0 C--N 1.395 3.83 0 N-CA-C 105.91 -2.876 . . . . 0.0 105.91 176.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.36 46.1 t 69.7 -156.89 0.15 Allowed 'General case' 0 C--N 1.39 2.328 0 CA-C-O 123.037 1.398 . . . . 0.0 113.299 176.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 . . . . . 0 C--N 1.381 1.944 0 CA-C-N 113.335 -1.757 . . . . 0.0 108.977 177.078 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.568 3.4 0 N-CA-C 112.368 -0.293 . . . . 0.0 112.368 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -70.89 -171.46 0.57 Allowed 'Trans proline' 0 C--N 1.392 2.868 0 C-N-CA 124.04 3.16 . . . . 0.0 110.501 172.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -109.19 131.18 55.31 Favored 'General case' 0 C--N 1.388 2.263 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 177.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.4 m -118.72 170.39 9.03 Favored 'General case' 0 C--N 1.396 2.599 0 N-CA-C 117.81 2.522 . . . . 0.0 117.81 -167.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.4 t -140.48 160.71 39.4 Favored 'General case' 0 C--N 1.382 1.99 0 CA-C-N 112.329 -2.214 . . . . 0.0 110.375 176.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -135.45 54.04 1.94 Allowed 'General case' 0 C--N 1.384 2.082 0 N-CA-C 106.614 -1.624 . . . . 0.0 106.614 170.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.7 t -152.58 157.38 40.94 Favored 'General case' 0 C--N 1.381 1.956 0 C-N-CA 127.064 2.145 . . . . 0.0 107.35 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.536 ' CG ' ' NZ ' ' A' ' 56' ' ' LYS . 24.7 p-10 -74.89 141.5 44.16 Favored 'General case' 0 C--N 1.393 2.474 0 C-N-CA 116.21 -2.196 . . . . 0.0 110.21 -177.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.536 ' NZ ' ' CG ' ' A' ' 55' ' ' ASP 0.296 3.0 mppt? 75.87 -89.54 0.02 OUTLIER 'General case' 0 C--N 1.388 2.277 0 C-N-CA 125.535 1.534 . . . . 0.0 109.88 177.442 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 11.4 m 79.71 -41.34 0.23 Allowed 'General case' 0 C--N 1.385 2.137 0 C-N-CA 127.685 2.394 . . . . 0.0 112.691 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -172.52 72.52 0.04 OUTLIER 'General case' 0 C--N 1.388 2.277 0 N-CA-C 101.782 -3.414 . . . . 0.0 101.782 -178.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.619 ' C ' ' HZ3' ' A' ' 24' ' ' LYS 0.255 7.4 mp . . . . . 0 CA--C 1.594 2.652 0 N-CA-C 105.579 -2.008 . . . . 0.0 105.579 -171.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.43 HH21 ' CG ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.539 3.989 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 54.9 mt -90.63 123.8 42.95 Favored 'Isoleucine or valine' 0 C--N 1.391 2.41 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.4 m -137.36 147.4 45.49 Favored 'General case' 0 C--N 1.388 2.278 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 173.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -85.32 167.67 15.38 Favored 'General case' 0 C--N 1.388 2.242 0 N-CA-C 115.085 1.513 . . . . 0.0 115.085 -164.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -146.36 54.32 1.13 Allowed 'General case' 0 C--N 1.387 2.231 0 N-CA-C 104.798 -2.297 . . . . 0.0 104.798 177.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.506 ' HD1' ' N ' ' A' ' 12' ' ' PRO 2.166 4.2 m170 -83.77 -175.4 5.79 Favored 'General case' 0 C--N 1.383 2.046 0 C-N-CA 124.817 1.247 . . . . 0.0 112.595 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.319 79.5 mt 72.84 -171.83 0.14 Allowed 'General case' 0 C--N 1.381 1.939 0 N-CA-C 115.475 1.657 . . . . 0.0 115.475 170.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 98.43 -44.17 1.8 Allowed Glycine 0 C--N 1.385 3.252 0 N-CA-C 108.234 -1.946 . . . . 0.0 108.234 -164.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.8 m 173.41 -45.36 0.01 OUTLIER 'General case' 0 C--N 1.39 2.357 0 C-N-CA 127.121 2.168 . . . . 0.0 105.451 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt -90.5 151.07 43.79 Favored Pre-proline 0 CA--C 1.585 2.325 0 C-N-CA 125.756 1.622 . . . . 0.0 112.969 -177.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -117.92 6.08 0.03 OUTLIER 'Trans proline' 1 C--N 1.423 4.472 0 N-CA-C 118.931 2.627 . . . . 0.0 118.931 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.506 ' N ' ' HD1' ' A' ' 6' ' ' HIS . 0.2 OUTLIER -73.26 -11.19 24.81 Favored 'Trans proline' 0 C--N 1.404 3.462 1 N-CA-C 127.399 5.884 . . . . 0.0 127.399 -176.055 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.454 ' H ' ' ND1' ' A' ' 6' ' ' HIS . 76.8 p -116.8 161.47 19.22 Favored 'General case' 0 C--N 1.394 2.504 1 CA-C-N 126.873 4.397 . . . . 0.0 119.141 -172.547 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.1 p -144.65 155.72 43.75 Favored 'General case' 0 C--N 1.383 2.037 0 CA-C-N 111.393 -2.639 . . . . 0.0 110.379 -174.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -106.78 93.11 4.39 Favored 'General case' 0 C--N 1.382 2.005 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 -178.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.8 m -68.57 120.66 14.96 Favored 'General case' 0 C--N 1.398 2.704 0 N-CA-C 103.501 -2.777 . . . . 0.0 103.501 170.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -133.21 141.8 48.25 Favored 'General case' 0 C--N 1.391 2.408 0 CA-C-O 123.052 1.406 . . . . 0.0 111.186 -170.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -97.2 -16.76 20.25 Favored 'General case' 0 C--N 1.38 1.922 0 CA-C-N 113.588 -1.642 . . . . 0.0 109.164 169.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -72.06 124.36 24.78 Favored 'General case' 0 C--N 1.401 2.833 0 N-CA-C 104.721 -2.326 . . . . 0.0 104.721 174.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.43 ' CG ' HH21 ' A' ' 1' ' ' ARG 2.129 54.4 m-20 -64.56 12.65 0.04 OUTLIER 'General case' 0 CA--C 1.582 2.2 0 C-N-CA 128.461 2.704 . . . . 0.0 116.432 -170.693 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.7 m -149.11 144.37 26.61 Favored 'General case' 0 C--N 1.386 2.185 0 CA-C-N 122.124 2.238 . . . . 0.0 108.646 -178.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.4 p -136.67 152.61 50.59 Favored 'General case' 0 C--N 1.383 2.057 0 CA-C-O 122.458 1.123 . . . . 0.0 111.596 176.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -122.92 155.56 36.48 Favored 'General case' 0 C--N 1.38 1.931 0 CA-C-O 122.847 1.308 . . . . 0.0 114.344 -167.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.691 ' HZ1' ' C ' ' A' ' 59' ' ' LEU . 22.8 mmtt -114.18 122.39 46.65 Favored 'General case' 0 C--N 1.384 2.101 0 CA-C-N 112.539 -2.119 . . . . 0.0 106.881 -175.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.419 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 0.4 OUTLIER -127.1 122.23 33.68 Favored 'General case' 0 CA--C 1.582 2.175 0 N-CA-C 104.26 -2.496 . . . . 0.0 104.26 -174.508 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.17 -14.13 2.06 Favored 'Isoleucine or valine' 0 C--N 1.401 2.843 0 N-CA-C 117.59 2.441 . . . . 0.0 117.59 -153.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.548 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -87.66 -106.69 0.07 Allowed 'General case' 0 CA--C 1.591 2.526 1 C-N-CA 134.524 5.13 . . . . 0.0 107.813 -177.333 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.4 t 81.38 151.72 0.1 Allowed 'General case' 0 C--N 1.396 2.63 0 C-N-CA 125.528 1.531 . . . . 0.0 114.635 172.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -56.11 -49.81 72.84 Favored 'General case' 0 C--N 1.396 2.617 0 C-N-CA 125.048 1.339 . . . . 0.0 108.971 176.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 45.5 p30 -73.48 -6.44 46.45 Favored 'General case' 0 CA--C 1.58 2.11 0 C-N-CA 125.511 1.524 . . . . 0.0 113.49 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.2 t30 64.08 81.76 0.2 Allowed 'General case' 0 C--N 1.392 2.446 0 C-N-CA 127.112 2.165 . . . . 0.0 106.333 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -164.67 168.4 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.392 2.418 0 C-N-CA 118.799 -1.16 . . . . 0.0 113.215 -177.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -103.95 103.41 15.16 Favored 'Isoleucine or valine' 0 C--N 1.387 2.202 0 N-CA-C 104.572 -2.381 . . . . 0.0 104.572 175.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.9 121.41 9.72 Favored 'General case' 0 C--N 1.385 2.133 0 N-CA-C 104.252 -2.499 . . . . 0.0 104.252 -175.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.33 -171.18 3.61 Favored 'General case' 0 C--N 1.397 2.653 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -158.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -165.59 -163.21 18.5 Favored Glycine 1 C--N 1.399 4.057 0 C-N-CA 115.006 -3.473 . . . . 0.0 118.909 -167.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 40.4 t -115.38 115.61 26.87 Favored 'General case' 0 C--N 1.392 2.454 0 CA-C-O 122.143 0.973 . . . . 0.0 109.302 -176.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.52 -95.25 0.1 Allowed Glycine 0 C--N 1.392 3.676 0 N-CA-C 103.82 -3.712 . . . . 0.0 103.82 176.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.414 9.1 t 74.17 -155.08 0.06 Allowed 'General case' 0 C--N 1.388 2.243 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 173.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 . . . . . 0 C--N 1.384 2.07 0 CA-C-N 114.405 -1.27 . . . . 0.0 108.428 -179.604 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.56 2.891 0 CA-C-O 115.699 -2.723 . . . . 0.0 106.496 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo 47.13 -152.53 0.0 OUTLIER 'Trans proline' 1 C--N 1.449 5.842 0 C-N-CA 114.671 -3.086 . . . . 0.0 109.815 -171.118 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . 0.279 49.4 p90 -149.28 135.69 19.29 Favored 'General case' 0 C--N 1.373 1.618 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 174.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 16.1 m -120.9 152.53 38.35 Favored 'General case' 0 C--N 1.392 2.444 0 N-CA-C 115.799 1.777 . . . . 0.0 115.799 -161.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 16.8 t -133.59 176.56 8.43 Favored 'General case' 0 C--N 1.378 1.838 0 CA-C-N 112.507 -2.133 . . . . 0.0 111.195 178.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -146.62 37.36 0.99 Allowed 'General case' 0 C--N 1.385 2.126 0 C-N-CA 119.639 -0.825 . . . . 0.0 112.194 -174.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.9 m -123.99 172.42 8.97 Favored 'General case' 0 C--N 1.379 1.881 0 C-N-CA 125.237 1.415 . . . . 0.0 111.349 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.516 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 27.8 t0 -71.6 113.03 8.2 Favored 'General case' 0 C--N 1.388 2.243 0 N-CA-C 105.692 -1.966 . . . . 0.0 105.692 -177.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.516 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.302 4.0 mptt 76.53 -59.92 0.49 Allowed 'General case' 0 C--N 1.396 2.601 0 C-N-CA 126.991 2.116 . . . . 0.0 109.974 -178.323 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 52.2 t 57.77 61.01 2.55 Favored 'General case' 0 C--N 1.378 1.808 0 N-CA-C 106.244 -1.762 . . . . 0.0 106.244 178.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 68.5 75.87 0.26 Allowed 'General case' 0 C--N 1.386 2.178 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 173.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.691 ' C ' ' HZ1' ' A' ' 24' ' ' LYS . 23.4 mt . . . . . 0 CA--C 1.603 2.999 0 C-N-CA 127.499 2.32 . . . . 0.0 110.758 176.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 1 N--CA 1.541 4.111 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 81.0 mt -137.64 139.37 43.27 Favored 'Isoleucine or valine' 0 C--N 1.386 2.186 0 CA-C-N 119.46 1.027 . . . . 0.0 109.464 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 m -140.69 153.84 46.12 Favored 'General case' 0 C--N 1.388 2.25 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 175.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -104.95 147.46 27.76 Favored 'General case' 0 C--N 1.393 2.493 0 O-C-N 120.669 -1.269 . . . . 0.0 113.724 -167.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -130.74 58.21 1.7 Allowed 'General case' 0 C--N 1.392 2.422 0 N-CA-C 105.808 -1.923 . . . . 0.0 105.808 178.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.183 10.9 m170 -101.07 -150.1 0.39 Allowed 'General case' 0 C--N 1.381 1.948 0 C-N-CA 127.592 2.357 . . . . 0.0 111.869 -178.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.503 ' H ' ' HA ' ' A' ' 11' ' ' PRO 0.27 31.3 mt 57.6 -167.45 0.13 Allowed 'General case' 0 C--N 1.385 2.13 0 CA-C-O 122.379 1.085 . . . . 0.0 111.772 176.81 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.02 -53.69 4.51 Favored Glycine 0 C--N 1.383 3.173 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -173.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.5 m -163.54 -49.86 0.03 OUTLIER 'General case' 0 C--N 1.38 1.908 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -102.72 118.13 59.15 Favored Pre-proline 0 CA--C 1.584 2.259 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -176.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.503 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 34.4 Cg_endo -89.62 -6.42 5.09 Favored 'Trans proline' 0 C--N 1.41 3.806 0 N-CA-C 120.543 3.247 . . . . 0.0 120.543 -177.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_exo -81.16 -15.28 10.36 Favored 'Trans proline' 0 C--N 1.397 3.112 1 N-CA-C 125.307 5.08 . . . . 0.0 125.307 -174.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.8 p -92.84 155.99 17.27 Favored 'General case' 0 C--N 1.393 2.472 0 CA-C-N 124.815 3.461 . . . . 0.0 116.541 -172.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 41.8 p -139.62 161.31 37.82 Favored 'General case' 0 C--N 1.385 2.122 0 CA-C-N 111.811 -2.45 . . . . 0.0 112.282 -166.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -127.58 112.82 15.32 Favored 'General case' 0 C--N 1.385 2.148 0 CA-C-O 123.227 1.489 . . . . 0.0 108.288 -174.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 91.5 m -73.38 124.11 25.12 Favored 'General case' 0 C--N 1.387 2.212 0 N-CA-C 105.237 -2.134 . . . . 0.0 105.237 175.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.7 t -125.89 143.38 51.1 Favored 'General case' 0 C--N 1.39 2.352 0 CA-C-O 122.82 1.295 . . . . 0.0 112.126 -173.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 -151.72 49.48 0.8 Allowed 'General case' 0 C--N 1.381 1.952 0 N-CA-C 103.851 -2.648 . . . . 0.0 103.851 165.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -98.21 8.85 44.21 Favored 'General case' 0 C--N 1.396 2.598 0 CA-C-O 121.81 0.814 . . . . 0.0 112.439 176.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.343 0.8 OUTLIER 100.34 -24.99 0.02 OUTLIER 'General case' 0 CA--C 1.577 2.006 0 C-N-CA 129.387 3.075 . . . . 0.0 111.831 178.869 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.3 t -160.02 157.14 28.19 Favored 'General case' 0 C--N 1.391 2.387 0 CA-C-O 122.203 1.001 . . . . 0.0 112.55 -170.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.8 p -139.5 159.33 42.4 Favored 'General case' 0 C--N 1.39 2.337 0 CA-C-O 122.067 0.936 . . . . 0.0 111.963 167.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 43.6 p90 -126.18 154.89 42.61 Favored 'General case' 0 C--N 1.381 1.946 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -167.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.718 ' HZ2' ' C ' ' A' ' 59' ' ' LEU . 13.7 mmtt -111.15 113.46 25.99 Favored 'General case' 0 C--N 1.385 2.144 0 N-CA-C 105.864 -1.902 . . . . 0.0 105.864 -178.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -116.82 113.74 22.95 Favored 'General case' 0 CA--C 1.577 2.002 0 N-CA-C 102.981 -2.97 . . . . 0.0 102.981 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.83 -14.74 4.81 Favored 'Isoleucine or valine' 0 C--N 1.392 2.443 0 N-CA-C 115.789 1.774 . . . . 0.0 115.789 -152.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.517 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -88.98 -102.35 0.09 Allowed 'General case' 0 CA--C 1.579 2.076 1 C-N-CA 134.508 5.123 . . . . 0.0 107.797 179.265 . . . . . . . . 4 4 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.2 t 72.12 168.82 0.32 Allowed 'General case' 0 C--N 1.393 2.469 0 O-C-N 120.704 -1.247 . . . . 0.0 110.948 -174.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -62.71 -46.92 85.88 Favored 'General case' 0 C--N 1.391 2.401 0 O-C-N 121.634 -0.666 . . . . 0.0 109.688 175.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -74.44 -2.9 27.57 Favored 'General case' 0 CA--C 1.576 1.98 0 C-N-CA 129.187 2.995 . . . . 0.0 113.951 -175.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 62.81 74.58 0.43 Allowed 'General case' 0 C--N 1.394 2.541 0 CA-C-N 122.967 2.622 . . . . 0.0 106.379 176.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 tp -161.33 161.05 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.389 2.307 0 C-N-CA 118.284 -1.366 . . . . 0.0 113.535 -171.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.1 mt -101.43 84.8 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.389 2.284 0 CA-C-O 123.6 1.667 . . . . 0.0 106.797 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.15 111.64 16.75 Favored 'General case' 0 C--N 1.381 1.959 0 N-CA-C 101.941 -3.355 . . . . 0.0 101.941 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.86 -170.61 3.23 Favored 'General case' 0 C--N 1.39 2.366 0 CA-C-N 115.077 -0.965 . . . . 0.0 112.721 -160.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 175.92 -169.37 42.01 Favored Glycine 0 C--N 1.393 3.744 1 C-N-CA 112.683 -4.579 . . . . 0.0 120.155 -172.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.0 t -75.32 112.08 11.25 Favored 'General case' 0 C--N 1.382 2.02 0 CA-C-N 112.645 -1.777 . . . . 0.0 108.293 -177.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.4 -114.41 0.3 Allowed Glycine 1 C--N 1.403 4.281 0 C-N-CA 117.631 -2.223 . . . . 0.0 109.294 -179.176 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.457 ' SG ' ' N ' ' A' ' 40' ' ' PHE 2.405 45.4 t 101.9 -166.51 0.0 OUTLIER 'General case' 0 C--N 1.385 2.123 0 N-CA-C 116.807 2.151 . . . . 0.0 116.807 174.123 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.457 ' N ' ' SG ' ' A' ' 39' ' ' CYS . 5.0 m-85 . . . . . 0 C--N 1.387 2.208 0 CA-C-N 113.704 -1.589 . . . . 0.0 109.265 167.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 2.65 0 N-CA-C 114.573 0.589 . . . . 0.0 114.573 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -53.21 161.2 3.83 Favored 'Trans proline' 0 C--N 1.393 2.894 0 C-N-CA 123.428 2.752 . . . . 0.0 116.412 174.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -89.62 129.27 36.09 Favored 'General case' 0 C--N 1.386 2.176 0 N-CA-C 105.762 -1.94 . . . . 0.0 105.762 178.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 10.1 m -118.33 155.56 30.43 Favored 'General case' 0 C--N 1.391 2.389 0 CA-C-O 123.407 1.575 . . . . 0.0 114.625 -170.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.9 t -137.4 169.05 18.44 Favored 'General case' 0 C--N 1.379 1.869 0 CA-C-N 112.799 -2.001 . . . . 0.0 111.511 -177.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -132.8 40.02 3.28 Favored 'General case' 0 C--N 1.379 1.858 0 CA-C-O 121.523 0.678 . . . . 0.0 110.218 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.7 t -137.62 154.44 49.74 Favored 'General case' 0 C--N 1.381 1.978 0 C-N-CA 124.843 1.257 . . . . 0.0 110.392 -177.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.538 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 37.3 t0 -56.66 127.23 30.37 Favored 'General case' 0 C--N 1.388 2.245 0 N-CA-C 106.911 -1.515 . . . . 0.0 106.911 176.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.538 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.305 5.2 mptt 72.76 -87.18 0.03 OUTLIER 'General case' 0 C--N 1.396 2.603 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 -179.533 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 35.4 t 68.24 67.59 0.33 Allowed 'General case' 0 C--N 1.38 1.921 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 m120 72.16 75.55 0.16 Allowed 'General case' 0 C--N 1.389 2.288 0 N-CA-C 105.684 -1.969 . . . . 0.0 105.684 173.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.718 ' C ' ' HZ2' ' A' ' 24' ' ' LYS 0.258 10.3 tp . . . . . 0 CA--C 1.588 2.416 0 C-N-CA 129.088 2.955 . . . . 0.0 107.43 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 1 N--CA 1.549 4.504 0 CA-C-O 116.121 -1.895 . . . . 0.0 107.929 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 24.9 mm -114.38 114.23 46.05 Favored 'Isoleucine or valine' 0 C--N 1.394 2.532 0 CA-C-N 122.127 2.24 . . . . 0.0 107.205 175.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.286 81.3 m -124.31 151.17 44.6 Favored 'General case' 0 C--N 1.398 2.702 0 N-CA-C 107.1 -1.444 . . . . 0.0 107.1 164.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -97.13 145.15 26.28 Favored 'General case' 0 C--N 1.387 2.197 0 C-N-CA 119.121 -1.032 . . . . 0.0 113.681 -168.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 51.6 p-10 -124.73 24.75 7.66 Favored 'General case' 0 C--N 1.385 2.137 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.597 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.181 2.1 m-70 -74.58 -162.57 0.16 Allowed 'General case' 0 C--N 1.385 2.151 0 C-N-CA 128.89 2.876 . . . . 0.0 112.329 177.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 63.5 mt 69.12 179.19 0.24 Allowed 'General case' 0 C--N 1.384 2.082 0 CA-C-O 123.393 1.568 . . . . 0.0 114.152 172.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.14 18.73 52.94 Favored Glycine 0 C--N 1.382 3.118 0 CA-C-O 117.392 -1.782 . . . . 0.0 111.927 -175.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.0 m 104.46 -38.2 0.01 OUTLIER 'General case' 0 C--N 1.393 2.49 0 C-N-CA 131.371 3.868 . . . . 0.0 109.815 -175.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.599 ' HZ2' ' CG ' ' A' ' 30' ' ' ASP . 8.1 mptt -70.94 161.03 80.37 Favored Pre-proline 0 CA--C 1.579 2.096 0 C-N-CA 124.746 1.218 . . . . 0.0 112.869 -171.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -69.86 173.11 11.54 Favored 'Trans proline' 0 C--N 1.398 3.143 0 N-CA-C 115.081 1.146 . . . . 0.0 115.081 -178.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -67.26 153.59 76.72 Favored 'Trans proline' 0 C--N 1.393 2.872 0 N-CA-C 117.677 2.145 . . . . 0.0 117.677 -176.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.334 61.2 p -170.84 132.78 0.9 Allowed 'General case' 0 C--N 1.381 1.952 0 N-CA-C 103.814 -2.661 . . . . 0.0 103.814 177.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 44.8 p -125.38 146.02 49.78 Favored 'General case' 0 C--N 1.374 1.632 0 CA-C-N 113.734 -1.575 . . . . 0.0 108.845 -173.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -103.73 98.59 8.43 Favored 'General case' 0 C--N 1.378 1.845 0 CA-C-O 123.908 1.813 . . . . 0.0 107.294 -169.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 53.1 m -72.78 118.75 16.1 Favored 'General case' 0 C--N 1.388 2.26 0 N-CA-C 103.177 -2.897 . . . . 0.0 103.177 172.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.8 t -146.75 160.02 42.76 Favored 'General case' 0 C--N 1.387 2.221 0 CA-C-O 121.666 0.746 . . . . 0.0 112.685 -166.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -140.76 68.87 1.34 Allowed 'General case' 0 C--N 1.381 1.945 0 N-CA-C 104.908 -2.256 . . . . 0.0 104.908 171.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -119.67 120.06 35.52 Favored 'General case' 0 C--N 1.379 1.878 0 N-CA-C 102.709 -3.071 . . . . 0.0 102.709 177.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.231 1.1 m-20 -31.37 -51.6 0.19 Allowed 'General case' 0 C--N 1.388 2.273 0 C-N-CA 128.794 2.838 . . . . 0.0 110.967 -171.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.9 m -133.55 144.06 49.11 Favored 'General case' 0 C--N 1.387 2.216 0 CA-C-O 123.331 1.538 . . . . 0.0 109.219 173.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.27 28.6 p -121.51 148.46 44.44 Favored 'General case' 0 C--N 1.384 2.078 0 CA-C-O 122.981 1.372 . . . . 0.0 110.414 173.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -121.57 162.24 20.95 Favored 'General case' 0 C--N 1.382 2.004 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 -163.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.574 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -109.23 117.16 33.37 Favored 'General case' 0 C--N 1.381 1.971 0 CA-C-N 111.108 -2.769 . . . . 0.0 106.549 178.221 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.499 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 1.6 t30 -117.94 130.01 55.96 Favored 'General case' 0 CA--C 1.579 2.064 0 C-N-CA 129.014 2.926 . . . . 0.0 104.365 -177.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -141.65 30.34 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.406 3.06 0 CA-C-O 122.823 1.297 . . . . 0.0 114.295 -147.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.499 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -151.04 -106.32 0.06 Allowed 'General case' 0 CA--C 1.59 2.519 0 C-N-CA 127.396 2.278 . . . . 0.0 106.022 -166.331 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.291 51.5 m 65.49 170.13 0.21 Allowed 'General case' 0 C--N 1.396 2.621 0 C-N-CA 126.59 1.956 . . . . 0.0 115.385 171.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -70.85 -36.07 72.7 Favored 'General case' 0 C--N 1.399 2.755 0 C-N-CA 119.043 -1.063 . . . . 0.0 110.523 -176.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.599 ' CG ' ' HZ2' ' A' ' 10' ' ' LYS . 86.6 m-20 -60.58 -23.3 64.56 Favored 'General case' 0 C--N 1.391 2.37 0 CA-C-N 119.974 1.261 . . . . 0.0 109.871 175.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 72.3 77.82 0.15 Allowed 'General case' 0 C--N 1.394 2.505 0 N-CA-C 104.673 -2.343 . . . . 0.0 104.673 178.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.1 tp -177.26 170.0 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.393 2.493 0 CA-C-N 114.956 -1.02 . . . . 0.0 112.604 -166.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.3 mp -94.56 101.11 12.16 Favored 'Isoleucine or valine' 0 C--N 1.385 2.124 0 N-CA-C 104.205 -2.517 . . . . 0.0 104.205 172.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.417 HH11 ' HG2' ' A' ' 34' ' ' ARG . 3.4 ttp85 -150.27 134.9 17.45 Favored 'General case' 0 C--N 1.385 2.142 0 N-CA-C 104.597 -2.372 . . . . 0.0 104.597 -178.021 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.7 ptt-85 -172.52 -174.89 1.25 Allowed 'General case' 0 C--N 1.397 2.64 0 C-N-CA 116.624 -2.03 . . . . 0.0 112.204 -146.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 173.46 -168.04 40.86 Favored Glycine 0 C--N 1.394 3.777 0 C-N-CA 114.334 -3.793 . . . . 0.0 118.405 -176.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 56.7 m -71.1 122.59 20.37 Favored 'General case' 0 C--N 1.385 2.144 0 CA-C-N 114.043 -1.078 . . . . 0.0 111.004 -178.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.03 -99.88 0.13 Allowed Glycine 1 C--N 1.403 4.277 0 N-CA-C 105.955 -2.858 . . . . 0.0 105.955 170.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.369 29.0 t 95.75 -165.97 0.0 OUTLIER 'General case' 0 C--N 1.384 2.08 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 172.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.384 2.074 0 CA-C-N 114.339 -1.3 . . . . 0.0 111.885 166.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 2.641 0 N-CA-C 114.249 0.46 . . . . 0.0 114.249 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_exo -65.82 -174.76 0.4 Allowed 'Trans proline' 0 C--N 1.393 2.891 0 C-N-CA 123.409 2.739 . . . . 0.0 115.629 172.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -114.97 136.65 52.89 Favored 'General case' 0 C--N 1.389 2.293 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 5.1 m -119.84 161.94 19.96 Favored 'General case' 0 C--N 1.392 2.433 0 N-CA-C 116.573 2.064 . . . . 0.0 116.573 -167.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.6 t -149.97 159.59 44.27 Favored 'General case' 0 C--N 1.386 2.166 0 CA-C-N 114.117 -1.401 . . . . 0.0 110.184 174.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.7 41.64 2.65 Favored 'General case' 0 C--N 1.39 2.369 0 O-C-N 121.677 -0.64 . . . . 0.0 111.498 -175.336 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 t -143.21 164.06 31.23 Favored 'General case' 0 C--N 1.386 2.193 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.516 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 24.3 t0 -61.37 111.38 1.74 Allowed 'General case' 0 C--N 1.389 2.3 0 N-CA-C 105.972 -1.862 . . . . 0.0 105.972 -178.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.516 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.291 2.7 mptt 70.86 -63.39 0.42 Allowed 'General case' 0 C--N 1.393 2.479 0 C-N-CA 127.143 2.177 . . . . 0.0 108.716 -173.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.261 6.4 t 73.86 -44.65 0.58 Allowed 'General case' 0 C--N 1.383 2.063 0 C-N-CA 128.186 2.594 . . . . 0.0 109.077 -178.56 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -174.49 62.51 0.02 OUTLIER 'General case' 0 C--N 1.392 2.422 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.574 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 5.7 tp . . . . . 0 CA--C 1.587 2.401 0 N-CA-C 104.464 -2.421 . . . . 0.0 104.464 -177.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.696 ' H3 ' ' CG ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 1 N--CA 1.545 4.313 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 . . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.4 mt -99.57 133.93 40.66 Favored 'Isoleucine or valine' 0 C--N 1.395 2.551 0 CA-C-N 119.519 1.054 . . . . 0.0 109.065 178.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 67.7 m -145.35 155.38 43.15 Favored 'General case' 0 C--N 1.387 2.204 0 CA-C-O 121.929 0.871 . . . . 0.0 109.668 167.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -68.48 152.42 45.43 Favored 'General case' 0 C--N 1.389 2.319 0 O-C-N 121.415 -0.803 . . . . 0.0 111.52 -177.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -152.54 58.51 0.82 Allowed 'General case' 0 C--N 1.391 2.402 0 N-CA-C 105.306 -2.109 . . . . 0.0 105.306 175.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.187 6.0 m170 -99.21 -150.16 0.37 Allowed 'General case' 0 C--N 1.385 2.148 0 C-N-CA 125.354 1.462 . . . . 0.0 110.246 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.52 ' H ' ' HA ' ' A' ' 11' ' ' PRO 0.266 5.3 mp 65.69 -175.51 0.18 Allowed 'General case' 0 C--N 1.387 2.232 0 CA-C-O 121.935 0.874 . . . . 0.0 113.229 170.452 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.35 -43.05 3.17 Favored Glycine 0 C--N 1.386 3.332 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -172.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.3 m -170.34 -42.5 0.02 OUTLIER 'General case' 0 C--N 1.381 1.965 0 N-CA-C 106.224 -1.769 . . . . 0.0 106.224 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -115.82 109.0 45.77 Favored Pre-proline 0 C--N 1.389 2.307 0 CA-C-O 118.071 -0.966 . . . . 0.0 109.571 -173.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.52 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 85.6 Cg_exo -83.95 3.29 7.72 Favored 'Trans proline' 0 C--N 1.41 3.769 0 N-CA-C 120.421 3.2 . . . . 0.0 120.421 175.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -72.41 -13.22 27.78 Favored 'Trans proline' 0 C--N 1.4 3.266 1 N-CA-C 124.217 4.66 . . . . 0.0 124.217 -176.559 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.3 p -113.63 157.85 21.59 Favored 'General case' 0 C--N 1.394 2.509 0 CA-C-N 125.644 3.838 . . . . 0.0 117.4 -174.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.9 p -133.48 146.2 50.9 Favored 'General case' 0 C--N 1.379 1.875 0 CA-C-N 112.132 -2.303 . . . . 0.0 108.088 -177.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -107.72 93.51 4.58 Favored 'General case' 0 C--N 1.379 1.872 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 -166.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.6 m -73.6 99.43 3.07 Favored 'General case' 0 C--N 1.395 2.562 0 N-CA-C 101.634 -3.469 . . . . 0.0 101.634 176.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.4 t -125.4 156.95 37.99 Favored 'General case' 0 C--N 1.394 2.541 0 CA-C-O 124.205 1.955 . . . . 0.0 114.411 -166.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.4 pm0 -91.86 -9.87 41.79 Favored 'General case' 0 C--N 1.377 1.77 0 CA-C-N 111.851 -2.431 . . . . 0.0 112.584 -176.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -71.77 128.64 36.44 Favored 'General case' 0 C--N 1.396 2.589 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 173.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.696 ' CG ' ' H3 ' ' A' ' 1' ' ' ARG 2.156 20.1 m-20 -63.94 6.0 0.2 Allowed 'General case' 0 CA--C 1.591 2.528 0 C-N-CA 129.541 3.136 . . . . 0.0 116.027 -174.269 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.9 m -160.98 150.26 16.83 Favored 'General case' 0 C--N 1.382 2.004 0 CA-C-N 120.918 1.69 . . . . 0.0 107.184 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.375 25.8 p -139.25 145.46 39.23 Favored 'General case' 0 C--N 1.39 2.346 0 CA-C-O 123.283 1.516 . . . . 0.0 113.592 -178.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -118.59 159.4 23.64 Favored 'General case' 0 C--N 1.391 2.376 0 N-CA-C 115.902 1.816 . . . . 0.0 115.902 -160.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.587 ' HZ1' ' C ' ' A' ' 59' ' ' LEU . 40.9 mttm -105.57 123.64 48.24 Favored 'General case' 0 C--N 1.387 2.223 0 CA-C-O 123.306 1.526 . . . . 0.0 107.802 -179.068 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.511 ' HA ' ' HE1' ' A' ' 27' ' ' TRP . 1.1 t30 -118.67 121.95 41.38 Favored 'General case' 0 CA--C 1.575 1.907 0 N-CA-C 103.403 -2.814 . . . . 0.0 103.403 177.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.4 pp -139.23 17.38 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.392 2.45 0 N-CA-C 116.213 1.931 . . . . 0.0 116.213 -159.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.563 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -139.16 -109.22 0.16 Allowed 'General case' 0 CA--C 1.585 2.299 0 C-N-CA 128.75 2.82 . . . . 0.0 105.706 -161.219 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.318 1.8 m 64.36 161.0 0.11 Allowed 'General case' 0 C--N 1.397 2.641 0 C-N-CA 126.205 1.802 . . . . 0.0 114.872 174.043 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -62.65 -41.35 99.0 Favored 'General case' 0 C--N 1.394 2.515 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.204 -178.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -72.06 -0.77 12.56 Favored 'General case' 0 CA--C 1.578 2.033 0 CA-C-O 116.948 -1.501 . . . . 0.0 112.796 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 61.85 70.56 0.58 Allowed 'General case' 0 C--N 1.398 2.711 0 CA-C-N 122.812 2.551 . . . . 0.0 107.233 171.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 tp -166.26 168.82 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.392 2.413 0 C-N-CA 116.988 -1.885 . . . . 0.0 113.69 -172.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 mp -106.78 107.82 23.68 Favored 'Isoleucine or valine' 0 C--N 1.385 2.109 0 N-CA-C 103.371 -2.826 . . . . 0.0 103.371 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.424 ' CG ' HH11 ' A' ' 34' ' ' ARG . 7.5 ttp85 -157.09 84.76 0.94 Allowed 'General case' 0 C--N 1.39 2.339 0 N-CA-C 102.383 -3.192 . . . . 0.0 102.383 -165.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -117.13 -174.08 2.52 Favored 'General case' 0 C--N 1.371 1.534 0 CA-C-N 110.178 -3.192 . . . . 0.0 113.683 -163.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 178.02 -165.08 34.34 Favored Glycine 0 C--N 1.391 3.602 1 C-N-CA 113.565 -4.16 . . . . 0.0 116.346 -170.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.3 p -94.01 118.76 31.95 Favored 'General case' 0 C--N 1.386 2.163 0 CA-C-O 122.513 1.149 . . . . 0.0 109.882 -177.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.63 -96.27 0.11 Allowed Glycine 0 C--N 1.393 3.742 0 N-CA-C 106.276 -2.729 . . . . 0.0 106.276 178.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.38 45.8 t 82.08 -60.45 0.19 Allowed 'General case' 0 C--N 1.385 2.113 0 CA-C-O 121.6 0.715 . . . . 0.0 109.347 -179.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.382 1.986 0 N-CA-C 102.327 -3.212 . . . . 0.0 102.327 177.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.57 3.5 0 N-CA-C 114.559 0.583 . . . . 0.0 114.559 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -70.96 -173.76 0.97 Allowed 'Trans proline' 0 C--N 1.392 2.861 0 C-N-CA 123.681 2.921 . . . . 0.0 116.398 178.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -124.8 146.6 49.15 Favored 'General case' 0 C--N 1.389 2.292 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.567 177.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 2.8 m -122.93 167.95 12.91 Favored 'General case' 0 C--N 1.404 2.943 0 N-CA-C 121.521 3.897 . . . . 0.0 121.521 -155.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.9 t -144.13 163.91 32.21 Favored 'General case' 0 C--N 1.386 2.168 0 CA-C-N 112.481 -2.145 . . . . 0.0 110.943 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -128.43 53.55 1.82 Allowed 'General case' 0 C--N 1.383 2.059 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 174.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.2 t -129.98 161.12 31.64 Favored 'General case' 0 C--N 1.384 2.082 0 CA-C-O 122.203 1.002 . . . . 0.0 111.631 -178.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.478 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 30.2 t0 -75.16 116.57 16.03 Favored 'General case' 0 C--N 1.383 2.044 0 N-CA-C 104.574 -2.38 . . . . 0.0 104.574 173.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.478 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.289 9.0 mptt 73.42 -38.43 0.41 Allowed 'General case' 0 C--N 1.393 2.467 0 C-N-CA 125.928 1.691 . . . . 0.0 112.348 -179.855 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.1 t 57.46 31.97 21.07 Favored 'General case' 0 CA--C 1.588 2.413 0 CA-C-N 120.922 1.692 . . . . 0.0 108.95 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.255 29.2 t30 70.13 -65.72 0.31 Allowed 'General case' 0 C--N 1.393 2.468 0 C-N-CA 130.517 3.527 . . . . 0.0 108.67 -173.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.587 ' C ' ' HZ1' ' A' ' 24' ' ' LYS . 23.8 tp . . . . . 0 CA--C 1.58 2.11 1 N-CA-C 99.294 -4.335 . . . . 0.0 99.294 -178.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 1 N--CA 1.54 4.051 0 CA-C-O 118.15 -0.929 . . . . 0.0 109.264 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.8 mt -91.85 127.28 44.23 Favored 'Isoleucine or valine' 0 C--N 1.398 2.713 0 CA-C-N 119.836 1.198 . . . . 0.0 109.831 -177.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.0 m -140.87 147.34 38.76 Favored 'General case' 0 C--N 1.391 2.383 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 164.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -77.66 157.61 30.1 Favored 'General case' 0 C--N 1.388 2.271 0 O-C-N 121.038 -1.038 . . . . 0.0 113.775 -169.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -130.81 6.86 4.71 Favored 'General case' 0 C--N 1.387 2.213 0 CA-C-O 117.975 -1.012 . . . . 0.0 112.227 175.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.224 49.5 m-70 -71.17 -159.01 0.04 OUTLIER 'General case' 0 C--N 1.39 2.332 0 C-N-CA 126.382 1.873 . . . . 0.0 113.695 -178.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 mp 71.26 179.11 0.24 Allowed 'General case' 0 C--N 1.39 2.355 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 175.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.05 -46.84 3.67 Favored Glycine 0 C--N 1.389 3.476 0 O-C-N 121.766 -0.584 . . . . 0.0 112.777 -176.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.4 m -172.98 -51.44 0.02 OUTLIER 'General case' 0 C--N 1.379 1.855 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 -173.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.477 ' HZ2' ' CG2' ' A' ' 13' ' ' THR . 0.8 OUTLIER -84.27 141.96 40.38 Favored Pre-proline 0 C--N 1.39 2.331 0 C-N-CA 118.903 -1.119 . . . . 0.0 110.031 -168.924 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -54.58 152.93 25.32 Favored 'Trans proline' 0 C--N 1.396 3.054 0 C-N-CA 121.594 1.529 . . . . 0.0 113.263 176.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -45.61 137.68 11.59 Favored 'Trans proline' 0 C--N 1.389 2.704 0 C-N-CA 122.742 2.294 . . . . 0.0 115.836 -177.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.477 ' CG2' ' HZ2' ' A' ' 10' ' ' LYS 0.259 8.4 p -160.64 124.58 3.53 Favored 'General case' 0 C--N 1.38 1.919 0 N-CA-C 101.719 -3.438 . . . . 0.0 101.719 177.287 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 60.1 p -122.11 144.55 48.86 Favored 'General case' 0 C--N 1.382 1.996 0 CA-C-O 122.521 1.153 . . . . 0.0 110.544 -169.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -97.26 101.98 13.65 Favored 'General case' 0 C--N 1.386 2.177 0 CA-C-N 114.902 -1.044 . . . . 0.0 108.555 -166.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.4 m -77.96 105.99 9.53 Favored 'General case' 0 C--N 1.393 2.458 0 N-CA-C 101.378 -3.564 . . . . 0.0 101.378 169.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -116.81 150.23 38.67 Favored 'General case' 0 C--N 1.386 2.167 0 CA-C-O 122.609 1.195 . . . . 0.0 111.086 -169.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -72.39 -31.97 66.01 Favored 'General case' 0 C--N 1.382 2.018 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.507 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -61.35 129.73 42.67 Favored 'General case' 0 C--N 1.385 2.133 0 CA-C-O 123.737 1.732 . . . . 0.0 108.944 -174.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.078 47.3 m-20 -50.96 -39.86 56.19 Favored 'General case' 0 C--N 1.385 2.15 0 C-N-CA 130.033 3.333 . . . . 0.0 112.379 -178.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.4 t -117.55 135.44 53.95 Favored 'General case' 0 C--N 1.384 2.071 0 CA-C-O 123.774 1.75 . . . . 0.0 108.909 -172.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.6 p -139.11 146.21 40.41 Favored 'General case' 0 C--N 1.383 2.031 0 CA-C-O 123.335 1.54 . . . . 0.0 109.568 176.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -123.24 164.89 17.88 Favored 'General case' 0 C--N 1.379 1.857 0 N-CA-C 116.21 1.93 . . . . 0.0 116.21 -163.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.505 ' HZ1' ' C ' ' A' ' 59' ' ' LEU . 31.0 mttt -111.91 130.29 55.89 Favored 'General case' 0 C--N 1.387 2.215 0 CA-C-O 123.92 1.819 . . . . 0.0 109.377 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.441 ' H ' ' HB3' ' A' ' 35' ' ' ARG . 0.7 OUTLIER -125.89 118.74 26.1 Favored 'General case' 0 CA--C 1.575 1.906 0 N-CA-C 103.037 -2.949 . . . . 0.0 103.037 -178.208 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -135.08 -13.93 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.399 2.743 0 N-CA-C 118.369 2.729 . . . . 0.0 118.369 -154.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.513 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -82.7 -105.19 0.04 OUTLIER 'General case' 0 CA--C 1.587 2.395 1 C-N-CA 133.839 4.856 . . . . 0.0 106.655 176.959 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.1 t 77.31 161.4 0.22 Allowed 'General case' 0 C--N 1.392 2.446 0 C-N-CA 125.384 1.474 . . . . 0.0 112.958 175.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -68.97 -45.73 69.93 Favored 'General case' 0 C--N 1.39 2.352 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.227 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -66.9 -6.67 17.42 Favored 'General case' 0 CA--C 1.579 2.068 0 CA-C-O 116.695 -1.621 . . . . 0.0 112.854 177.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 65.81 71.05 0.43 Allowed 'General case' 0 C--N 1.397 2.67 0 CA-C-N 123.167 2.712 . . . . 0.0 106.673 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.0 tp -163.26 161.51 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.397 2.664 0 C-N-CA 117.164 -1.814 . . . . 0.0 114.914 -172.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.4 mt -97.54 96.92 5.67 Favored 'Isoleucine or valine' 0 C--N 1.392 2.434 0 N-CA-C 105.95 -1.871 . . . . 0.0 105.95 177.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.16 113.05 8.15 Favored 'General case' 0 C--N 1.384 2.103 0 N-CA-C 103.132 -2.914 . . . . 0.0 103.132 -179.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.441 ' HB3' ' H ' ' A' ' 25' ' ' ASN 0.259 0.0 OUTLIER -141.99 -159.74 1.0 Allowed 'General case' 0 C--N 1.383 2.051 0 CA-C-N 113.828 -1.533 . . . . 0.0 112.392 -161.452 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -175.34 -173.66 41.28 Favored Glycine 0 C--N 1.388 3.428 0 C-N-CA 113.907 -3.997 . . . . 0.0 117.357 -174.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.7 p -98.62 125.82 44.01 Favored 'General case' 0 C--N 1.383 2.04 0 CA-C-O 122.528 1.156 . . . . 0.0 109.014 176.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.56 -90.1 0.08 OUTLIER Glycine 0 C--N 1.39 3.57 0 N-CA-C 103.853 -3.699 . . . . 0.0 103.853 178.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.407 34.7 t 77.68 -161.87 0.03 OUTLIER 'General case' 0 C--N 1.382 2.005 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 172.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--N 1.381 1.963 0 CA-C-N 113.315 -1.766 . . . . 0.0 108.837 177.461 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 2.596 0 N-CA-C 109.87 -1.292 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -76.01 -177.7 3.84 Favored 'Trans proline' 0 C--N 1.381 2.266 0 C-N-CA 121.63 1.553 . . . . 0.0 109.529 171.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 25.0 p90 -109.53 125.49 52.56 Favored 'General case' 0 C--N 1.382 1.985 0 N-CA-C 104.155 -2.535 . . . . 0.0 104.155 174.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.2 m -114.97 156.44 25.06 Favored 'General case' 0 C--N 1.399 2.727 0 N-CA-C 116.03 1.863 . . . . 0.0 116.03 -166.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.7 t -124.91 165.57 17.85 Favored 'General case' 0 C--N 1.381 1.969 0 CA-C-N 113.162 -1.836 . . . . 0.0 110.839 175.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -125.48 45.25 2.63 Favored 'General case' 0 C--N 1.381 1.956 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 175.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.1 t -155.48 173.04 17.24 Favored 'General case' 0 C--N 1.392 2.451 0 CA-C-O 121.95 0.881 . . . . 0.0 111.441 178.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.562 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 26.8 t0 -70.53 111.77 6.3 Favored 'General case' 0 C--N 1.384 2.068 0 C-N-CA 125.027 1.331 . . . . 0.0 107.801 -171.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.562 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.267 8.3 mptt 73.99 -58.01 0.6 Allowed 'General case' 0 C--N 1.397 2.659 0 C-N-CA 126.777 2.031 . . . . 0.0 112.358 177.712 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.267 29.4 m 60.38 59.86 2.16 Favored 'General case' 0 C--N 1.375 1.714 0 C-N-CA 127.556 2.342 . . . . 0.0 107.547 -177.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 72.95 76.17 0.14 Allowed 'General case' 0 C--N 1.388 2.281 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 169.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.505 ' C ' ' HZ1' ' A' ' 24' ' ' LYS . 0.3 OUTLIER . . . . . 0 CA--C 1.59 2.509 0 N-CA-C 105.009 -2.219 . . . . 0.0 105.009 177.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.2 ttm105 . . . . . 1 N--CA 1.54 4.074 0 N-CA-C 104.94 -2.244 . . . . 0.0 104.94 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.9 mp -137.86 136.6 45.4 Favored 'Isoleucine or valine' 0 C--N 1.387 2.228 0 CA-C-N 121.688 2.04 . . . . 0.0 108.664 178.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.4 m -142.59 140.31 31.66 Favored 'General case' 0 C--N 1.387 2.207 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 171.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -84.2 165.92 17.99 Favored 'General case' 0 C--N 1.386 2.191 0 O-C-N 120.445 -1.409 . . . . 0.0 112.39 -172.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -142.86 32.87 1.4 Allowed 'General case' 0 C--N 1.385 2.118 0 C-N-CA 119.585 -0.846 . . . . 0.0 110.107 176.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.205 3.0 m-70 -85.0 -170.32 3.08 Favored 'General case' 0 C--N 1.387 2.217 0 C-N-CA 127.143 2.177 . . . . 0.0 115.885 -175.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.0 mt 81.6 179.15 0.08 Allowed 'General case' 0 C--N 1.389 2.319 0 N-CA-C 116.008 1.855 . . . . 0.0 116.008 173.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.26 27.46 30.57 Favored Glycine 0 C--N 1.39 3.541 0 CA-C-O 117.681 -1.621 . . . . 0.0 113.505 -175.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.1 m 87.16 -40.33 0.03 OUTLIER 'General case' 0 C--N 1.394 2.51 0 C-N-CA 129.964 3.306 . . . . 0.0 108.557 -174.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -64.51 142.15 98.37 Favored Pre-proline 0 CA--C 1.58 2.134 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -54.16 160.99 5.6 Favored 'Trans proline' 0 C--N 1.392 2.842 0 C-N-CA 123.31 2.674 . . . . 0.0 118.189 -176.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -63.17 145.09 93.33 Favored 'Trans proline' 0 C--N 1.394 2.97 0 C-N-CA 120.852 1.035 . . . . 0.0 113.536 178.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.8 p -159.84 146.97 16.49 Favored 'General case' 0 C--N 1.384 2.078 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 72.0 p -138.76 147.77 43.04 Favored 'General case' 0 C--N 1.385 2.143 0 CA-C-O 121.948 0.88 . . . . 0.0 111.646 -174.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -111.36 125.16 53.56 Favored 'General case' 0 C--N 1.386 2.184 0 CA-C-O 122.368 1.08 . . . . 0.0 109.579 -171.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 52.1 m -86.02 116.75 24.43 Favored 'General case' 0 C--N 1.386 2.192 0 N-CA-C 103.695 -2.706 . . . . 0.0 103.695 176.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.0 t -112.9 149.58 32.97 Favored 'General case' 0 C--N 1.389 2.298 0 CA-C-O 125.028 2.347 . . . . 0.0 111.755 -171.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -159.34 41.82 0.22 Allowed 'General case' 0 C--N 1.373 1.614 0 CA-C-N 110.726 -2.943 . . . . 0.0 105.217 174.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -109.51 45.93 1.04 Allowed 'General case' 0 C--N 1.394 2.507 0 N-CA-C 105.91 -1.885 . . . . 0.0 105.91 173.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.357 1.1 m-20 69.86 -37.98 0.39 Allowed 'General case' 0 C--N 1.388 2.26 0 C-N-CA 128.004 2.522 . . . . 0.0 114.331 178.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.0 p -160.83 179.94 8.09 Favored 'General case' 0 C--N 1.385 2.12 0 O-C-N 121.031 -1.043 . . . . 0.0 113.461 -173.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.7 p -150.52 150.62 31.5 Favored 'General case' 0 C--N 1.387 2.207 0 CA-C-O 123.056 1.407 . . . . 0.0 111.737 174.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -117.18 154.15 31.61 Favored 'General case' 0 C--N 1.38 1.893 0 CA-C-N 114.611 -1.177 . . . . 0.0 113.56 -170.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.558 ' NZ ' ' OXT' ' A' ' 59' ' ' LEU . 14.1 tppt? -98.4 126.65 44.01 Favored 'General case' 0 C--N 1.383 2.057 0 C-N-CA 125.966 1.706 . . . . 0.0 106.527 175.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.57 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 8.8 t30 -127.39 131.77 50.25 Favored 'General case' 0 CA--C 1.583 2.238 0 N-CA-C 105.081 -2.192 . . . . 0.0 105.081 -174.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -140.34 39.46 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.402 2.89 0 CA-C-O 123.234 1.492 . . . . 0.0 114.275 -151.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.57 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -168.06 -104.77 0.01 OUTLIER 'General case' 0 CA--C 1.588 2.417 0 N-CA-C 105.31 -2.107 . . . . 0.0 105.31 -161.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.347 1.0 OUTLIER 85.64 -94.09 0.01 OUTLIER 'General case' 0 CA--C 1.589 2.464 0 C-N-CA 125.088 1.355 . . . . 0.0 109.054 168.673 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.401 ' C ' ' H ' ' A' ' 31' ' ' ASN . 28.9 p90 -157.84 -50.48 0.07 Allowed 'General case' 0 C--N 1.392 2.418 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 178.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . 0.267 9.8 p30 -75.76 24.02 0.12 Allowed 'General case' 0 CA--C 1.591 2.53 0 C-N-CA 124.593 1.157 . . . . 0.0 110.497 173.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.401 ' H ' ' C ' ' A' ' 29' ' ' PHE . 9.5 t30 35.69 74.39 0.07 Allowed 'General case' 0 C--N 1.398 2.69 1 C-N-CA 132.251 4.22 . . . . 0.0 105.736 175.135 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.6 tp -150.08 154.62 8.77 Favored 'Isoleucine or valine' 0 C--N 1.387 2.199 0 CA-C-O 122.59 1.186 . . . . 0.0 111.779 -169.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.9 mp -79.14 113.85 19.06 Favored 'Isoleucine or valine' 0 C--N 1.39 2.337 0 N-CA-C 103.306 -2.85 . . . . 0.0 103.306 168.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.8 ttp85 -159.62 111.38 2.06 Favored 'General case' 0 C--N 1.38 1.918 0 N-CA-C 101.91 -3.367 . . . . 0.0 101.91 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.41 -170.59 3.12 Favored 'General case' 0 C--N 1.38 1.921 0 CA-C-N 114.047 -1.433 . . . . 0.0 113.796 -161.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -176.92 -179.04 47.13 Favored Glycine 0 C--N 1.391 3.584 1 C-N-CA 112.734 -4.555 . . . . 0.0 120.338 -176.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.2 t -69.83 102.33 1.92 Allowed 'General case' 0 C--N 1.38 1.9 0 CA-C-N 110.493 -2.853 . . . . 0.0 108.577 -177.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.5 -111.67 0.26 Allowed Glycine 0 C--N 1.397 3.918 0 N-CA-C 107.421 -2.272 . . . . 0.0 107.421 174.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.488 ' SG ' ' N ' ' A' ' 40' ' ' PHE 2.316 20.7 t 106.04 -170.96 0.0 OUTLIER 'General case' 0 C--N 1.385 2.138 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 176.496 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.488 ' N ' ' SG ' ' A' ' 39' ' ' CYS 0.259 0.1 OUTLIER . . . . . 0 C--N 1.379 1.881 0 CA-C-N 113.692 -1.595 . . . . 0.0 108.297 172.159 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.554 2.489 0 CA-C-O 121.635 0.575 . . . . 0.0 114.535 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -82.69 178.42 6.11 Favored 'Trans proline' 0 C--N 1.387 2.563 0 C-N-CA 122.779 2.319 . . . . 0.0 110.02 176.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -117.27 146.61 43.19 Favored 'General case' 0 C--N 1.388 2.266 0 CA-C-O 118.652 -0.69 . . . . 0.0 110.151 179.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 4.1 m -135.6 162.77 31.77 Favored 'General case' 0 C--N 1.405 2.995 0 N-CA-C 120.258 3.429 . . . . 0.0 120.258 -162.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.0 t -142.1 152.14 42.98 Favored 'General case' 0 C--N 1.39 2.348 0 CA-C-N 113.27 -1.786 . . . . 0.0 110.881 179.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -123.89 51.65 1.52 Allowed 'General case' 0 C--N 1.388 2.273 0 O-C-N 121.391 -0.818 . . . . 0.0 110.827 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 54.3 p -152.45 169.76 21.79 Favored 'General case' 0 C--N 1.381 1.975 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.596 177.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -66.95 110.33 3.31 Favored 'General case' 0 CA--C 1.589 2.455 0 CA-C-O 122.867 1.318 . . . . 0.0 109.745 -167.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.314 0.0 OUTLIER 69.85 -70.7 0.14 Allowed 'General case' 0 C--N 1.396 2.597 0 C-N-CA 129.655 3.182 . . . . 0.0 111.5 -175.42 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 16.3 m 78.93 -47.87 0.42 Allowed 'General case' 0 C--N 1.382 2.015 0 C-N-CA 127.491 2.316 . . . . 0.0 109.52 -173.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -162.1 69.7 0.29 Allowed 'General case' 0 C--N 1.389 2.3 0 N-CA-C 105.371 -2.085 . . . . 0.0 105.371 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.558 ' OXT' ' NZ ' ' A' ' 24' ' ' LYS . 3.3 mm? . . . . . 0 CA--C 1.598 2.812 0 CA-C-O 115.579 -2.153 . . . . 0.0 109.63 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 17' ' ' CYS . 35.3 mtt85 . . . . . 0 N--CA 1.532 3.634 0 N-CA-C 106.388 -1.708 . . . . 0.0 106.388 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.3 mp -140.04 128.91 27.02 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.107 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 177.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.3 m -137.68 151.97 48.81 Favored 'General case' 0 CA--C 1.594 2.662 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 168.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -111.58 148.22 33.76 Favored 'General case' 0 C--N 1.397 2.633 0 O-C-N 120.859 -1.151 . . . . 0.0 114.044 -165.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -123.43 24.03 8.78 Favored 'General case' 0 C--N 1.383 2.036 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.357 -176.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.212 58.1 m-70 -86.27 -153.48 0.19 Allowed 'General case' 0 C--N 1.39 2.369 0 C-N-CA 128.469 2.708 . . . . 0.0 113.334 177.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.261 32.9 mt 67.16 -174.17 0.19 Allowed 'General case' 0 C--N 1.39 2.355 0 CA-C-O 121.901 0.858 . . . . 0.0 110.798 -178.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.12 -71.35 3.0 Favored Glycine 0 C--N 1.384 3.197 0 N-CA-C 104.865 -3.294 . . . . 0.0 104.865 -166.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.8 m 173.81 -45.99 0.01 OUTLIER 'General case' 0 C--N 1.391 2.394 0 C-N-CA 125.096 1.358 . . . . 0.0 107.776 177.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -52.03 153.17 4.87 Favored Pre-proline 0 CA--C 1.587 2.384 0 CA-C-O 121.636 0.731 . . . . 0.0 110.22 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -55.66 159.44 11.27 Favored 'Trans proline' 0 C--N 1.399 3.226 0 N-CA-C 116.258 1.599 . . . . 0.0 116.258 -171.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -68.37 144.31 61.37 Favored 'Trans proline' 0 C--N 1.399 3.194 0 CA-C-O 124.116 1.632 . . . . 0.0 115.645 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.2 p -146.69 129.32 16.07 Favored 'General case' 0 C--N 1.378 1.813 0 N-CA-C 102.874 -3.01 . . . . 0.0 102.874 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 46.3 p -132.87 145.99 51.42 Favored 'General case' 0 C--N 1.38 1.924 0 O-C-N 121.169 -0.957 . . . . 0.0 109.513 -168.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -107.16 95.26 5.59 Favored 'General case' 0 C--N 1.381 1.968 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 -172.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.4 m -79.44 106.4 11.45 Favored 'General case' 0 C--N 1.393 2.47 0 N-CA-C 102.014 -3.328 . . . . 0.0 102.014 166.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 1' ' ' ARG . 5.0 t -119.19 155.83 30.96 Favored 'General case' 0 C--N 1.385 2.115 0 C-N-CA 124.211 1.004 . . . . 0.0 111.827 -174.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.91 42.47 2.17 Favored 'General case' 0 C--N 1.376 1.742 0 C-N-CA 125.73 1.612 . . . . 0.0 111.227 -177.317 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -119.34 158.74 25.52 Favored 'General case' 0 C--N 1.389 2.286 0 CA-C-O 122.327 1.061 . . . . 0.0 113.862 -176.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.087 1.3 m-20 -45.94 -49.24 16.0 Favored 'General case' 0 C--N 1.384 2.095 0 C-N-CA 128.573 2.749 . . . . 0.0 109.363 178.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 65.9 m -131.94 145.05 51.26 Favored 'General case' 0 C--N 1.392 2.427 0 CA-C-O 123.397 1.57 . . . . 0.0 113.108 -175.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.337 12.1 p -135.66 137.46 41.84 Favored 'General case' 0 C--N 1.385 2.152 0 CA-C-O 123.759 1.742 . . . . 0.0 108.154 167.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -119.25 160.1 22.83 Favored 'General case' 0 C--N 1.379 1.863 0 CA-C-N 113.659 -1.61 . . . . 0.0 114.582 -161.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.413 ' HZ1' ' C ' ' A' ' 59' ' ' LEU . 69.8 mmtt -101.12 126.98 47.87 Favored 'General case' 0 C--N 1.386 2.16 0 CA-C-N 112.575 -2.102 . . . . 0.0 107.547 176.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.512 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 5.6 t30 -118.97 126.29 51.4 Favored 'General case' 0 CA--C 1.579 2.084 0 N-CA-C 102.753 -3.054 . . . . 0.0 102.753 179.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.7 -11.64 3.7 Favored 'Isoleucine or valine' 0 C--N 1.401 2.814 0 N-CA-C 117.859 2.54 . . . . 0.0 117.859 -150.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.512 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -94.22 -107.43 0.13 Allowed 'General case' 0 CA--C 1.588 2.436 1 C-N-CA 133.594 4.758 . . . . 0.0 107.973 -174.254 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.5 t 77.2 151.87 0.13 Allowed 'General case' 0 C--N 1.39 2.367 0 C-N-CA 125.959 1.704 . . . . 0.0 114.104 173.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -56.93 -40.49 76.45 Favored 'General case' 0 C--N 1.393 2.478 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.792 175.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -80.09 4.05 18.46 Favored 'General case' 0 CA--C 1.575 1.937 0 C-N-CA 126.38 1.872 . . . . 0.0 112.915 -176.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 62.83 68.68 0.63 Allowed 'General case' 0 C--N 1.399 2.755 0 CA-C-N 122.851 2.569 . . . . 0.0 106.278 174.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 tp -166.18 162.99 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.394 2.533 0 C-N-CA 116.358 -2.137 . . . . 0.0 114.128 -170.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 74.7 mt -98.88 105.9 18.06 Favored 'Isoleucine or valine' 0 C--N 1.389 2.288 0 N-CA-C 103.956 -2.609 . . . . 0.0 103.956 175.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.3 ttp85 -142.13 113.21 7.53 Favored 'General case' 0 C--N 1.387 2.228 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 -171.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.11 -170.76 3.49 Favored 'General case' 0 C--N 1.397 2.673 0 N-CA-C 115.28 1.585 . . . . 0.0 115.28 -153.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 179.18 -163.82 31.6 Favored Glycine 0 C--N 1.397 3.956 0 C-N-CA 114.328 -3.796 . . . . 0.0 117.526 -169.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.8 p -95.55 118.37 32.14 Favored 'General case' 0 C--N 1.395 2.576 0 CA-C-O 123.334 1.54 . . . . 0.0 111.421 -176.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.21 -98.69 0.11 Allowed Glycine 0 C--N 1.393 3.717 0 N-CA-C 105.089 -3.204 . . . . 0.0 105.089 176.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.359 8.1 t 74.99 -150.73 0.04 OUTLIER 'General case' 0 C--N 1.39 2.327 0 C-N-CA 118.658 -1.217 . . . . 0.0 111.529 -178.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 . . . . . 0 C--N 1.382 1.999 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.21 178.279 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.561 2.93 0 N-CA-C 111.742 -0.543 . . . . 0.0 111.742 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -70.36 174.64 9.74 Favored 'Trans proline' 0 C--N 1.389 2.706 0 C-N-CA 120.829 1.019 . . . . 0.0 114.535 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.435 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -101.62 122.4 43.79 Favored 'General case' 0 CA--C 1.579 2.074 0 N-CA-C 104.789 -2.3 . . . . 0.0 104.789 178.433 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.11 156.37 25.34 Favored 'General case' 0 C--N 1.396 2.587 0 O-C-N 120.693 -1.254 . . . . 0.0 114.349 -169.317 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.3 t -136.67 162.92 31.82 Favored 'General case' 0 C--N 1.383 2.031 0 CA-C-N 114.13 -1.395 . . . . 0.0 111.539 -175.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -133.04 48.04 2.44 Favored 'General case' 0 C--N 1.385 2.128 0 CA-C-O 121.739 0.781 . . . . 0.0 110.053 -178.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.427 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 23.6 t -143.6 153.24 42.33 Favored 'General case' 0 C--N 1.382 1.985 0 C-N-CA 125.227 1.411 . . . . 0.0 107.88 177.308 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.521 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 42.2 t0 -64.8 125.78 25.87 Favored 'General case' 0 CA--C 1.584 2.26 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 -178.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.521 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.288 2.4 mptt 73.71 -60.0 0.54 Allowed 'General case' 0 C--N 1.398 2.693 0 C-N-CA 127.588 2.355 . . . . 0.0 111.88 -178.367 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.427 ' SG ' ' HB3' ' A' ' 54' ' ' SER . 73.3 m 62.15 50.45 3.96 Favored 'General case' 0 C--N 1.38 1.921 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 -171.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 41.2 t30 64.71 83.51 0.17 Allowed 'General case' 0 C--N 1.391 2.405 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.413 ' C ' ' HZ1' ' A' ' 24' ' ' LYS . 44.7 mt . . . . . 0 CA--C 1.6 2.882 0 C-N-CA 125.847 1.659 . . . . 0.0 109.249 177.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.414 ' H3 ' ' CG ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 1 N--CA 1.544 4.239 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.2 mp -83.59 127.47 39.71 Favored 'Isoleucine or valine' 0 C--N 1.398 2.705 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 178.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.1 m -144.17 139.97 29.09 Favored 'General case' 0 C--N 1.387 2.222 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 173.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -82.89 164.58 20.4 Favored 'General case' 0 C--N 1.386 2.178 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -166.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -149.33 49.34 0.96 Allowed 'General case' 0 C--N 1.389 2.308 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 173.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.211 13.0 m170 -89.52 -149.89 0.2 Allowed 'General case' 0 C--N 1.386 2.194 0 C-N-CA 125.659 1.584 . . . . 0.0 109.874 177.267 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.4 mt 64.0 -172.57 0.17 Allowed 'General case' 0 C--N 1.383 2.03 0 CA-C-O 122.212 1.006 . . . . 0.0 112.584 174.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.52 -47.33 3.03 Favored Glycine 0 C--N 1.386 3.336 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -173.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.6 m 178.16 -37.79 0.01 OUTLIER 'General case' 0 C--N 1.385 2.149 0 C-N-CA 126.967 2.107 . . . . 0.0 105.992 -177.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -106.68 122.62 41.25 Favored Pre-proline 0 C--N 1.386 2.153 0 C-N-CA 126.477 1.911 . . . . 0.0 110.507 -174.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -88.55 2.41 6.14 Favored 'Trans proline' 0 C--N 1.407 3.63 0 N-CA-C 120.928 3.395 . . . . 0.0 120.928 176.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -82.4 -23.37 4.24 Favored 'Trans proline' 0 C--N 1.405 3.537 1 N-CA-C 126.492 5.536 . . . . 0.0 126.492 -173.162 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.9 p -84.56 129.49 34.84 Favored 'General case' 0 C--N 1.394 2.526 0 CA-C-N 125.483 3.765 . . . . 0.0 113.166 -176.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 78.0 p -123.37 142.55 50.86 Favored 'General case' 0 C--N 1.379 1.888 0 C-N-CA 127.881 2.472 . . . . 0.0 106.41 171.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -113.62 102.13 9.99 Favored 'General case' 0 C--N 1.381 1.956 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 -170.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 t -69.13 122.08 18.05 Favored 'General case' 0 C--N 1.4 2.766 0 N-CA-C 103.476 -2.787 . . . . 0.0 103.476 169.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.1 t -137.19 148.12 46.34 Favored 'General case' 0 C--N 1.39 2.327 0 CA-C-O 124.592 2.139 . . . . 0.0 112.191 -172.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.5 pm0 -94.74 -6.54 42.87 Favored 'General case' 0 C--N 1.374 1.649 0 CA-C-N 112.053 -2.34 . . . . 0.0 111.091 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -68.67 114.94 7.48 Favored 'General case' 0 C--N 1.393 2.486 0 N-CA-C 103.069 -2.937 . . . . 0.0 103.069 175.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.414 ' CG ' ' H3 ' ' A' ' 1' ' ' ARG 2.183 70.9 m-20 -60.32 1.47 0.12 Allowed 'General case' 0 C--N 1.388 2.242 0 C-N-CA 127.584 2.354 . . . . 0.0 113.667 -177.506 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.9 p -147.57 144.03 28.18 Favored 'General case' 0 C--N 1.382 1.997 0 N-CA-C 106.517 -1.661 . . . . 0.0 106.517 175.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.4 p -136.33 149.84 48.58 Favored 'General case' 0 C--N 1.381 1.96 0 CA-C-O 123.894 1.807 . . . . 0.0 111.12 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -116.62 150.67 37.7 Favored 'General case' 0 C--N 1.378 1.843 0 CA-C-N 112.845 -1.98 . . . . 0.0 114.134 -163.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.599 ' HZ2' ' C ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -116.19 116.26 27.49 Favored 'General case' 0 C--N 1.388 2.264 0 CA-C-O 124.066 1.889 . . . . 0.0 106.798 179.72 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.32 107.92 14.97 Favored 'General case' 0 CA--C 1.584 2.276 0 N-CA-C 101.922 -3.362 . . . . 0.0 101.922 -175.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -109.25 -25.25 3.67 Favored 'Isoleucine or valine' 0 C--N 1.398 2.714 0 N-CA-C 118.531 2.789 . . . . 0.0 118.531 -157.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.605 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -73.54 -102.13 0.01 OUTLIER 'General case' 0 CA--C 1.584 2.286 1 C-N-CA 134.577 5.151 . . . . 0.0 107.675 177.559 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.1 t 77.45 159.27 0.2 Allowed 'General case' 0 C--N 1.392 2.45 0 C-N-CA 125.367 1.467 . . . . 0.0 112.322 177.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -73.59 -35.53 65.42 Favored 'General case' 0 C--N 1.389 2.31 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.578 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.501 ' CG ' HH21 ' A' ' 34' ' ' ARG . 42.0 p-10 -79.17 3.38 17.89 Favored 'General case' 0 CA--C 1.586 2.34 0 C-N-CA 125.367 1.467 . . . . 0.0 112.116 174.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 64.27 69.75 0.52 Allowed 'General case' 0 C--N 1.396 2.612 0 C-N-CA 127.08 2.152 . . . . 0.0 109.323 169.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 tp -168.09 163.53 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.392 2.428 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 -174.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.6 mt -84.35 102.71 10.7 Favored 'Isoleucine or valine' 0 C--N 1.391 2.409 0 N-CA-C 105.191 -2.151 . . . . 0.0 105.191 170.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.501 HH21 ' CG ' ' A' ' 30' ' ' ASP . 1.7 ttp85 -146.0 111.67 5.54 Favored 'General case' 0 C--N 1.383 2.038 0 N-CA-C 102.084 -3.302 . . . . 0.0 102.084 -179.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.6 -167.84 2.26 Favored 'General case' 0 C--N 1.393 2.458 0 CA-C-N 113.663 -1.608 . . . . 0.0 112.571 -155.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 175.22 -165.41 36.41 Favored Glycine 0 C--N 1.391 3.616 0 C-N-CA 114.221 -3.847 . . . . 0.0 118.021 -175.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.8 p -85.55 122.01 29.06 Favored 'General case' 0 C--N 1.386 2.156 0 CA-C-O 122.363 1.078 . . . . 0.0 111.154 -177.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.41 -102.1 0.15 Allowed Glycine 0 C--N 1.397 3.935 0 N-CA-C 106.551 -2.62 . . . . 0.0 106.551 175.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.353 0.5 OUTLIER 77.6 -160.5 0.03 OUTLIER 'General case' 0 C--N 1.39 2.354 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 175.456 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 . . . . . 0 C--N 1.386 2.167 0 N-CA-C 105.249 -2.13 . . . . 0.0 105.249 -179.459 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 2.539 0 N-CA-C 114.43 0.532 . . . . 0.0 114.43 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . 0.25 16.8 Cg_exo -52.51 171.07 0.22 Allowed 'Trans proline' 0 C--N 1.394 2.947 0 C-N-CA 122.602 2.201 . . . . 0.0 112.252 164.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . 0.34 29.9 p90 -81.23 126.76 31.92 Favored 'General case' 0 C--N 1.389 2.322 0 C-N-CA 116.071 -2.252 . . . . 0.0 105.6 176.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 43.1 t -119.26 132.87 55.97 Favored 'General case' 0 C--N 1.389 2.292 0 CA-C-O 122.423 1.106 . . . . 0.0 110.93 -166.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 9.9 t -120.53 161.1 21.87 Favored 'General case' 0 C--N 1.386 2.161 0 C-N-CA 124.494 1.118 . . . . 0.0 112.266 -178.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -129.61 50.97 2.11 Favored 'General case' 0 C--N 1.384 2.107 0 CA-C-O 121.9 0.857 . . . . 0.0 110.484 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.1 t -147.58 -174.36 4.52 Favored 'General case' 0 C--N 1.384 2.079 0 CA-C-O 122.076 0.941 . . . . 0.0 109.904 175.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.506 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 25.5 t0 -72.4 111.11 7.3 Favored 'General case' 0 CA--C 1.59 2.502 0 N-CA-C 107.07 -1.456 . . . . 0.0 107.07 -173.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.506 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.294 10.0 mptt 76.12 -72.52 0.1 Allowed 'General case' 0 C--N 1.4 2.782 0 C-N-CA 125.843 1.657 . . . . 0.0 110.977 176.042 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 43.5 m 66.15 63.0 0.57 Allowed 'General case' 0 C--N 1.38 1.894 0 C-N-CA 125.501 1.52 . . . . 0.0 107.701 -178.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 13.1 t30 62.74 79.53 0.26 Allowed 'General case' 0 C--N 1.389 2.285 0 N-CA-C 105.95 -1.87 . . . . 0.0 105.95 175.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.599 ' C ' ' HZ2' ' A' ' 24' ' ' LYS . 57.9 mt . . . . . 0 CA--C 1.595 2.699 0 C-N-CA 124.958 1.303 . . . . 0.0 108.427 177.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 1 N--CA 1.543 4.185 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.4 mp -107.69 133.61 51.95 Favored 'Isoleucine or valine' 0 C--N 1.387 2.204 0 CA-C-O 122.334 1.064 . . . . 0.0 109.464 -178.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 91.9 m -139.57 168.54 19.59 Favored 'General case' 0 C--N 1.385 2.145 0 CA-C-O 122.391 1.091 . . . . 0.0 109.081 163.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -78.78 145.19 34.49 Favored 'General case' 0 C--N 1.377 1.792 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.145 -177.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -133.3 31.66 3.76 Favored 'General case' 0 C--N 1.386 2.184 0 O-C-N 121.242 -0.911 . . . . 0.0 110.86 174.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.196 1.8 m-70 -78.38 -168.41 1.33 Allowed 'General case' 0 C--N 1.385 2.141 0 C-N-CA 125.048 1.339 . . . . 0.0 114.222 -177.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 54.6 mt 69.86 -179.3 0.23 Allowed 'General case' 0 C--N 1.389 2.301 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 172.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.18 20.41 55.17 Favored Glycine 0 C--N 1.385 3.295 0 CA-C-O 117.186 -1.897 . . . . 0.0 113.816 -174.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.3 m 106.37 -37.54 0.01 OUTLIER 'General case' 0 C--N 1.393 2.462 0 C-N-CA 130.532 3.533 . . . . 0.0 110.115 176.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -84.96 162.17 50.47 Favored Pre-proline 0 C--N 1.383 2.047 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -177.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -71.51 164.72 34.78 Favored 'Trans proline' 0 C--N 1.4 3.284 0 N-CA-C 117.051 1.904 . . . . 0.0 117.051 -168.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.8 OUTLIER -53.32 142.54 56.82 Favored 'Trans proline' 0 C--N 1.395 3.01 0 C-N-CA 123.146 2.564 . . . . 0.0 116.059 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.265 70.6 p -167.08 155.23 9.6 Favored 'General case' 0 C--N 1.39 2.354 0 C-N-CA 125.205 1.402 . . . . 0.0 108.02 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.6 p -132.92 149.27 52.26 Favored 'General case' 0 C--N 1.38 1.912 0 CA-C-O 123.148 1.452 . . . . 0.0 109.035 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -111.84 87.03 2.46 Favored 'General case' 0 C--N 1.378 1.846 0 N-CA-C 105.689 -1.967 . . . . 0.0 105.689 -167.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.6 m -79.78 101.77 8.66 Favored 'General case' 0 C--N 1.392 2.447 0 N-CA-C 103.585 -2.746 . . . . 0.0 103.585 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 39.6 t -125.82 164.64 20.25 Favored 'General case' 0 C--N 1.39 2.334 0 CA-C-O 123.081 1.42 . . . . 0.0 114.732 -165.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -85.58 -23.2 27.72 Favored 'General case' 0 C--N 1.38 1.935 0 CA-C-N 113.555 -1.657 . . . . 0.0 113.321 -176.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -71.86 137.78 47.75 Favored 'General case' 0 C--N 1.388 2.257 0 CA-C-O 123.264 1.507 . . . . 0.0 109.195 -175.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.15 30.3 m-20 -46.4 -50.47 16.59 Favored 'General case' 0 C--N 1.384 2.095 0 C-N-CA 128.983 2.913 . . . . 0.0 111.063 -175.265 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.9 t -116.73 140.22 49.67 Favored 'General case' 0 C--N 1.381 1.946 0 CA-C-O 123.854 1.788 . . . . 0.0 109.986 -172.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.5 p -134.34 147.68 50.6 Favored 'General case' 0 C--N 1.383 2.025 0 CA-C-O 123.503 1.62 . . . . 0.0 109.853 177.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -122.12 165.94 15.31 Favored 'General case' 0 C--N 1.381 1.938 0 N-CA-C 116.661 2.097 . . . . 0.0 116.661 -160.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.463 ' NZ ' ' OXT' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -114.49 116.07 28.26 Favored 'General case' 0 C--N 1.385 2.141 0 CA-C-N 112.83 -1.987 . . . . 0.0 106.675 -178.734 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.487 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 3.8 t30 -118.27 121.92 41.65 Favored 'General case' 0 C--N 1.382 1.991 0 N-CA-C 103.925 -2.62 . . . . 0.0 103.925 -179.26 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -132.51 -27.1 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.403 2.919 0 N-CA-C 117.649 2.463 . . . . 0.0 117.649 -154.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.582 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -69.1 -114.28 0.0 OUTLIER 'General case' 0 CA--C 1.603 2.985 1 C-N-CA 133.21 4.604 . . . . 0.0 108.52 173.399 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.1 t 81.8 154.12 0.11 Allowed 'General case' 0 C--N 1.396 2.62 0 C-N-CA 126.32 1.848 . . . . 0.0 112.613 178.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.5 p90 -69.09 -31.99 71.11 Favored 'General case' 0 C--N 1.397 2.642 0 O-C-N 121.611 -0.681 . . . . 0.0 110.811 176.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -76.93 -4.54 44.43 Favored 'General case' 0 CA--C 1.579 2.069 0 CA-C-O 117.504 -1.236 . . . . 0.0 111.315 173.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.4 t30 58.16 73.68 0.46 Allowed 'General case' 0 C--N 1.397 2.632 0 CA-C-N 121.97 2.168 . . . . 0.0 105.345 176.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.4 tp -158.56 153.67 5.64 Favored 'Isoleucine or valine' 0 C--N 1.389 2.29 0 C-N-CA 118.765 -1.174 . . . . 0.0 111.602 -170.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -89.22 121.72 39.69 Favored 'Isoleucine or valine' 0 C--N 1.39 2.35 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 175.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.1 ttp85 -163.36 95.59 0.84 Allowed 'General case' 0 C--N 1.387 2.209 0 N-CA-C 101.453 -3.536 . . . . 0.0 101.453 -173.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.47 ' HG2' HH11 ' A' ' 35' ' ' ARG . 11.9 ptt-85 -138.93 -169.71 2.7 Favored 'General case' 0 C--N 1.378 1.836 0 CA-C-N 111.505 -2.589 . . . . 0.0 112.005 -159.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 165.21 -165.3 37.68 Favored Glycine 0 C--N 1.394 3.751 0 C-N-CA 114.255 -3.831 . . . . 0.0 119.126 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.6 p -81.83 127.05 32.58 Favored 'General case' 0 C--N 1.393 2.488 0 CA-C-O 123.418 1.58 . . . . 0.0 110.982 -178.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.73 -75.62 0.04 OUTLIER Glycine 0 C--N 1.387 3.416 0 N-CA-C 103.963 -3.655 . . . . 0.0 103.963 171.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.478 ' SG ' ' N ' ' A' ' 40' ' ' PHE 2.426 52.6 t 72.0 -173.33 0.16 Allowed 'General case' 0 C--N 1.383 2.026 0 CA-C-N 112.165 -2.018 . . . . 0.0 113.167 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.478 ' N ' ' SG ' ' A' ' 39' ' ' CYS . 4.3 m-85 . . . . . 0 CA--C 1.572 1.8 0 CA-C-N 113.474 -1.694 . . . . 0.0 110.351 170.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 2.558 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -80.56 159.25 22.22 Favored 'Trans proline' 0 C--N 1.38 2.223 0 CA-C-O 123.078 1.199 . . . . 0.0 113.492 -175.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -82.2 142.82 31.85 Favored 'General case' 0 C--N 1.388 2.28 0 CA-C-N 113.757 -1.565 . . . . 0.0 108.161 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.7 m -127.93 152.6 47.68 Favored 'General case' 0 C--N 1.389 2.316 0 CA-C-O 123.859 1.79 . . . . 0.0 115.54 -172.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 8.7 t -126.03 164.41 20.91 Favored 'General case' 0 C--N 1.377 1.77 0 CA-C-N 112.117 -2.31 . . . . 0.0 108.444 170.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -127.21 34.07 4.79 Favored 'General case' 0 C--N 1.377 1.773 0 O-C-N 121.403 -0.811 . . . . 0.0 110.452 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.2 t -129.41 170.58 13.49 Favored 'General case' 0 C--N 1.378 1.825 0 C-N-CA 124.294 1.038 . . . . 0.0 110.208 178.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.492 ' CG ' ' HZ1' ' A' ' 56' ' ' LYS . 43.3 t0 -76.65 122.05 24.12 Favored 'General case' 0 C--N 1.391 2.377 0 C-N-CA 117.816 -1.554 . . . . 0.0 108.039 -169.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.492 ' HZ1' ' CG ' ' A' ' 55' ' ' ASP . 28.3 mmtm 74.11 -56.37 0.64 Allowed 'General case' 0 C--N 1.391 2.41 0 C-N-CA 126.448 1.899 . . . . 0.0 109.174 178.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 29.9 t 47.53 57.1 6.21 Favored 'General case' 0 C--N 1.382 2.018 0 C-N-CA 128.761 2.824 . . . . 0.0 106.694 176.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 69.6 71.09 0.24 Allowed 'General case' 0 C--N 1.388 2.258 0 C-N-CA 124.869 1.268 . . . . 0.0 109.018 171.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.463 ' OXT' ' NZ ' ' A' ' 24' ' ' LYS . 25.2 mt . . . . . 0 CA--C 1.61 3.282 0 C-N-CA 126.499 1.92 . . . . 0.0 114.9 164.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.532 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.533 3.715 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 36.2 mt -90.05 131.24 37.81 Favored 'Isoleucine or valine' 0 C--N 1.392 2.415 0 CA-C-O 122.646 1.213 . . . . 0.0 108.93 -177.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.7 p -141.7 140.65 33.22 Favored 'General case' 0 C--N 1.381 1.972 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 167.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -75.84 -174.4 2.6 Favored 'General case' 0 C--N 1.394 2.537 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -167.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -155.22 47.15 0.52 Allowed 'General case' 0 C--N 1.387 2.223 0 N-CA-C 105.817 -1.919 . . . . 0.0 105.817 171.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.471 ' HD1' ' N ' ' A' ' 12' ' ' PRO 2.185 24.3 m170 -87.81 -144.61 0.13 Allowed 'General case' 0 C--N 1.388 2.257 0 C-N-CA 126.977 2.111 . . . . 0.0 110.688 178.866 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.29 5.3 mp 63.79 -179.13 0.16 Allowed 'General case' 0 C--N 1.386 2.181 0 CA-C-O 123.137 1.446 . . . . 0.0 111.405 179.127 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.415 ' H ' HG12 ' A' ' 32' ' ' ILE . . . 79.8 -3.96 67.43 Favored Glycine 0 CA--C 1.57 3.489 0 CA-C-O 117.407 -1.774 . . . . 0.0 113.02 -172.438 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.2 m 107.22 -44.88 0.0 OUTLIER 'General case' 0 C--N 1.392 2.421 1 C-N-CA 132.209 4.204 . . . . 0.0 107.919 -176.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.555 ' HZ1' ' CG ' ' A' ' 30' ' ' ASP . 1.8 mptt -60.01 133.03 89.86 Favored Pre-proline 0 CA--C 1.602 2.947 0 C-N-CA 125.04 1.336 . . . . 0.0 108.833 179.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -103.31 -5.06 0.24 Allowed 'Trans proline' 1 C--N 1.415 4.064 0 N-CA-C 122.075 3.836 . . . . 0.0 122.075 -176.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.471 ' N ' ' HD1' ' A' ' 6' ' ' HIS . 94.0 Cg_exo -90.81 -28.55 0.2 Allowed 'Trans proline' 0 C--N 1.408 3.708 1 N-CA-C 127.995 6.114 . . . . 0.0 127.995 -170.608 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.3 p -81.05 139.04 35.95 Favored 'General case' 0 C--N 1.392 2.421 0 CA-C-N 124.543 3.338 . . . . 0.0 115.261 -172.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 52.8 p -129.53 164.77 23.05 Favored 'General case' 0 CA--C 1.577 1.998 0 C-N-CA 128.954 2.902 . . . . 0.0 108.871 170.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -132.94 101.76 5.37 Favored 'General case' 0 C--N 1.388 2.267 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -176.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.3 m -79.38 104.27 9.88 Favored 'General case' 0 C--N 1.395 2.555 0 N-CA-C 102.777 -3.045 . . . . 0.0 102.777 170.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -121.91 148.9 44.16 Favored 'General case' 0 C--N 1.387 2.223 0 CA-C-O 123.034 1.397 . . . . 0.0 111.438 -170.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -105.9 -10.39 16.66 Favored 'General case' 0 C--N 1.374 1.665 0 CA-C-N 113.81 -1.541 . . . . 0.0 110.1 174.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -70.3 105.91 3.16 Favored 'General case' 0 C--N 1.399 2.731 0 N-CA-C 102.038 -3.319 . . . . 0.0 102.038 168.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 1' ' ' ARG 2.154 90.1 m-20 -52.46 0.64 0.01 OUTLIER 'General case' 0 C--N 1.387 2.217 1 C-N-CA 131.722 4.009 . . . . 0.0 117.168 -170.587 . . . . . . . . 4 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 60.4 p -147.26 147.74 30.72 Favored 'General case' 0 C--N 1.38 1.898 0 CA-C-N 121.696 2.043 . . . . 0.0 107.71 175.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.4 p -140.57 151.76 44.96 Favored 'General case' 0 C--N 1.381 1.972 0 CA-C-O 123.797 1.76 . . . . 0.0 112.334 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -113.92 160.13 19.13 Favored 'General case' 0 C--N 1.379 1.873 0 CA-C-N 112.625 -2.08 . . . . 0.0 114.49 -164.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.429 ' NZ ' ' OXT' ' A' ' 59' ' ' LEU . 28.8 mttt -116.86 107.45 14.63 Favored 'General case' 0 C--N 1.378 1.82 0 N-CA-C 102.954 -2.98 . . . . 0.0 102.954 -177.519 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -115.25 120.79 40.85 Favored 'General case' 0 CA--C 1.577 2.013 0 N-CA-C 102.965 -2.976 . . . . 0.0 102.965 -171.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.415 HD11 ' H ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -120.67 -12.21 9.24 Favored 'Isoleucine or valine' 0 C--N 1.395 2.579 0 N-CA-C 117.741 2.497 . . . . 0.0 117.741 -153.064 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.509 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -101.41 28.24 5.64 Favored 'General case' 0 CA--C 1.566 1.587 1 C-N-CA 135.998 5.719 . . . . 0.0 112.114 -178.018 . . . . . . . . 4 4 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.94 178.66 7.28 Favored 'General case' 0 C--N 1.391 2.412 0 CA-C-N 121.69 2.041 . . . . 0.0 112.407 -176.356 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -59.43 -43.9 92.99 Favored 'General case' 0 C--N 1.383 2.047 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.001 -177.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.555 ' CG ' ' HZ1' ' A' ' 10' ' ' LYS . 65.8 m-20 -69.51 0.34 5.43 Favored 'General case' 0 CA--C 1.594 2.644 0 CA-C-O 117.729 -1.129 . . . . 0.0 110.19 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 60.08 74.04 0.46 Allowed 'General case' 0 C--N 1.4 2.763 0 N-CA-C 104.19 -2.522 . . . . 0.0 104.19 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.415 HG12 ' H ' ' A' ' 8' ' ' GLY . 6.6 tp -167.06 166.08 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.399 2.75 0 C-N-CA 115.687 -2.405 . . . . 0.0 115.097 -162.103 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.7 mm -88.11 95.74 5.41 Favored 'Isoleucine or valine' 0 C--N 1.387 2.235 0 N-CA-C 104.282 -2.488 . . . . 0.0 104.282 172.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.8 ttp85 -145.9 127.85 15.48 Favored 'General case' 0 C--N 1.385 2.149 0 N-CA-C 103.974 -2.602 . . . . 0.0 103.974 -177.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.58 -165.79 0.61 Allowed 'General case' 0 C--N 1.399 2.755 0 C-N-CA 116.309 -2.156 . . . . 0.0 114.697 -146.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 169.53 -167.03 40.18 Favored Glycine 0 C--N 1.394 3.782 0 C-N-CA 115.022 -3.466 . . . . 0.0 117.203 -175.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 35.8 m -68.73 123.46 20.98 Favored 'General case' 0 C--N 1.388 2.277 0 CA-C-O 123.317 1.532 . . . . 0.0 111.027 -177.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.2 -111.59 0.26 Allowed Glycine 0 C--N 1.393 3.717 0 N-CA-C 105.185 -3.166 . . . . 0.0 105.185 170.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.405 22.2 t 75.59 -42.09 0.46 Allowed 'General case' 0 C--N 1.391 2.411 0 C-N-CA 124.693 1.197 . . . . 0.0 112.515 173.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 . . . . . 0 CA--C 1.591 2.529 0 N-CA-C 103.419 -2.808 . . . . 0.0 103.419 172.499 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.554 2.497 0 N-CA-C 112.089 -0.404 . . . . 0.0 112.089 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -64.98 153.71 76.91 Favored 'Trans proline' 0 C--N 1.39 2.752 0 CA-C-O 122.978 1.158 . . . . 0.0 114.179 178.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -86.08 135.09 33.76 Favored 'General case' 0 C--N 1.382 2.003 0 CA-C-N 113.501 -1.682 . . . . 0.0 107.307 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 28.6 p -126.66 169.78 12.78 Favored 'General case' 0 C--N 1.389 2.318 0 N-CA-C 116.957 2.206 . . . . 0.0 116.957 -173.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.1 t -130.37 157.05 43.65 Favored 'General case' 0 C--N 1.377 1.791 0 CA-C-N 111.532 -2.576 . . . . 0.0 109.676 177.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . 0.26 2.5 pt-20 -132.24 59.72 1.71 Allowed 'General case' 0 C--N 1.378 1.833 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 174.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.6 t -149.79 155.13 39.58 Favored 'General case' 0 C--N 1.385 2.143 0 CA-C-N 113.715 -1.584 . . . . 0.0 108.323 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.466 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 31.7 t70 -67.47 119.28 12.02 Favored 'General case' 0 C--N 1.39 2.341 0 CA-C-O 122.286 1.041 . . . . 0.0 109.175 -173.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.466 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 33.3 mmtm 73.28 -56.61 0.65 Allowed 'General case' 0 C--N 1.392 2.443 0 C-N-CA 127.849 2.46 . . . . 0.0 109.272 177.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.3 t 64.16 50.74 2.34 Favored 'General case' 0 C--N 1.382 1.988 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 173.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.306 57.4 m-20 75.22 -3.36 2.62 Favored 'General case' 0 C--N 1.388 2.264 0 C-N-CA 127.281 2.233 . . . . 0.0 113.347 177.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.429 ' OXT' ' NZ ' ' A' ' 24' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.394 2.522 0 N-CA-C 103.314 -2.847 . . . . 0.0 103.314 173.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.428 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.535 3.791 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.6 mm -93.08 121.17 43.55 Favored 'Isoleucine or valine' 0 C--N 1.388 2.281 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 174.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.3 m -127.88 178.72 5.97 Favored 'General case' 0 C--N 1.385 2.141 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 161.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -89.5 153.89 20.45 Favored 'General case' 0 C--N 1.381 1.973 0 O-C-N 121.442 -0.786 . . . . 0.0 111.82 -179.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -151.65 65.53 0.87 Allowed 'General case' 0 C--N 1.384 2.102 0 N-CA-C 102.508 -3.145 . . . . 0.0 102.508 167.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.152 11.2 m170 -105.49 -172.26 2.06 Favored 'General case' 0 C--N 1.382 2.003 0 C-N-CA 129.349 3.059 . . . . 0.0 112.141 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.272 25.5 mt 67.89 -169.39 0.19 Allowed 'General case' 0 C--N 1.375 1.702 0 CA-C-O 123.277 1.513 . . . . 0.0 113.421 173.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.59 47.6 20.67 Favored Glycine 0 C--N 1.382 3.09 0 N-CA-C 107.769 -2.133 . . . . 0.0 107.769 -168.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.416 ' CG2' ' HZ1' ' A' ' 10' ' ' LYS . 33.4 m 87.53 -30.07 0.05 OUTLIER 'General case' 0 C--N 1.394 2.533 0 C-N-CA 130.175 3.39 . . . . 0.0 111.063 -178.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.416 ' HZ1' ' CG2' ' A' ' 9' ' ' THR . 13.2 mptt -113.47 110.24 50.39 Favored Pre-proline 0 CA--C 1.594 2.658 0 C-N-CA 124.501 1.12 . . . . 0.0 108.194 -169.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -90.37 -3.01 5.25 Favored 'Trans proline' 0 CA--C 1.6 3.807 0 N-CA-C 122.493 3.997 . . . . 0.0 122.493 -174.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -82.58 -16.77 7.77 Favored 'Trans proline' 0 C--N 1.403 3.403 1 N-CA-C 130.042 6.901 . . . . 0.0 130.042 -172.114 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.5 p -101.26 157.23 16.94 Favored 'General case' 0 C--N 1.389 2.295 1 CA-C-N 126.405 4.184 . . . . 0.0 116.721 -174.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 73.7 p -127.58 146.87 50.38 Favored 'General case' 0 C--N 1.376 1.74 0 CA-C-N 112.935 -1.938 . . . . 0.0 107.947 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -92.45 87.31 5.94 Favored 'General case' 0 C--N 1.375 1.682 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 -175.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.7 t -74.14 121.34 21.02 Favored 'General case' 0 C--N 1.394 2.522 0 N-CA-C 104.215 -2.513 . . . . 0.0 104.215 169.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 12.6 t -153.05 152.64 31.58 Favored 'General case' 0 C--N 1.39 2.36 0 CA-C-O 122.981 1.372 . . . . 0.0 112.801 -165.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -95.34 -5.47 43.33 Favored 'General case' 0 C--N 1.376 1.74 0 CA-C-N 113.132 -1.849 . . . . 0.0 110.951 174.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -74.11 109.35 7.54 Favored 'General case' 0 C--N 1.396 2.6 0 N-CA-C 102.329 -3.212 . . . . 0.0 102.329 178.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.18 69.1 m-20 -60.57 7.13 0.03 OUTLIER 'General case' 0 C--N 1.389 2.317 0 C-N-CA 129.607 3.163 . . . . 0.0 117.764 -165.267 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.8 m -158.06 145.13 17.96 Favored 'General case' 0 C--N 1.377 1.785 0 CA-C-N 121.704 2.047 . . . . 0.0 105.957 178.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.338 26.7 p -139.74 151.19 45.63 Favored 'General case' 0 C--N 1.386 2.162 0 CA-C-O 123.625 1.679 . . . . 0.0 113.688 -173.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -123.26 145.79 48.39 Favored 'General case' 0 C--N 1.387 2.207 0 CA-C-N 112.921 -1.945 . . . . 0.0 113.994 -158.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.568 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 55.3 mttm -92.18 139.98 30.08 Favored 'General case' 0 C--N 1.387 2.211 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 176.181 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -147.36 123.52 10.83 Favored 'General case' 0 C--N 1.379 1.888 0 N-CA-C 104.509 -2.404 . . . . 0.0 104.509 -169.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -132.76 -7.23 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.401 2.818 0 N-CA-C 117.926 2.565 . . . . 0.0 117.926 -150.034 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.401 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -104.81 -94.79 0.34 Allowed 'General case' 0 CA--C 1.576 1.943 1 C-N-CA 134.132 4.973 . . . . 0.0 106.272 -173.31 . . . . . . . . 4 4 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.2 t 78.2 -5.66 2.05 Favored 'General case' 0 C--N 1.389 2.288 0 C-N-CA 125.562 1.545 . . . . 0.0 113.058 173.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . 0.278 83.5 m-85 88.91 -38.73 0.02 OUTLIER 'General case' 0 C--N 1.389 2.322 0 CA-C-N 121.987 2.176 . . . . 0.0 111.107 179.541 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.2 p-10 -81.37 -10.29 59.57 Favored 'General case' 0 CA--C 1.576 1.964 0 C-N-CA 124.907 1.283 . . . . 0.0 111.103 172.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 77.79 75.57 0.07 Allowed 'General case' 0 C--N 1.394 2.539 0 C-N-CA 126.818 2.047 . . . . 0.0 107.456 173.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.5 tp -163.69 157.75 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.394 2.529 0 C-N-CA 117.828 -1.549 . . . . 0.0 113.348 -176.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.5 mm -88.44 102.01 12.33 Favored 'Isoleucine or valine' 0 C--N 1.392 2.423 0 N-CA-C 105.473 -2.047 . . . . 0.0 105.473 175.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -151.58 110.92 3.94 Favored 'General case' 0 C--N 1.385 2.111 0 N-CA-C 101.59 -3.485 . . . . 0.0 101.59 -176.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.66 -166.89 2.61 Favored 'General case' 0 C--N 1.381 1.965 0 CA-C-N 111.379 -2.646 . . . . 0.0 111.726 -155.012 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 177.04 -173.94 46.68 Favored Glycine 0 C--N 1.395 3.842 1 C-N-CA 112.999 -4.429 . . . . 0.0 119.229 -175.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.2 p -84.71 122.28 28.86 Favored 'General case' 0 C--N 1.392 2.418 0 CA-C-O 123.376 1.56 . . . . 0.0 108.185 175.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.36 -87.14 0.06 OUTLIER Glycine 0 C--N 1.387 3.394 0 N-CA-C 103.246 -3.942 . . . . 0.0 103.246 175.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.381 42.9 t 79.49 -48.92 0.39 Allowed 'General case' 0 C--N 1.384 2.098 0 CA-C-O 121.779 0.799 . . . . 0.0 110.179 177.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--N 1.38 1.909 0 N-CA-C 102.57 -3.122 . . . . 0.0 102.57 -175.079 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 2.213 0 CA-C-O 122.277 0.932 . . . . 0.0 112.733 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -69.52 178.19 4.67 Favored 'Trans proline' 0 C--N 1.383 2.356 0 O-C-N 123.442 1.233 . . . . 0.0 109.797 171.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -123.1 137.3 54.96 Favored 'General case' 0 C--N 1.384 2.106 0 CA-C-O 121.663 0.744 . . . . 0.0 109.977 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 2.7 m -118.74 168.23 10.93 Favored 'General case' 0 C--N 1.398 2.717 0 N-CA-C 119.187 3.032 . . . . 0.0 119.187 -160.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 13.5 t -141.36 154.39 45.63 Favored 'General case' 0 C--N 1.377 1.783 0 CA-C-N 110.271 -3.149 . . . . 0.0 107.715 177.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -119.29 50.27 1.25 Allowed 'General case' 0 C--N 1.376 1.76 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.8 t -137.18 175.32 9.72 Favored 'General case' 0 C--N 1.385 2.117 0 CA-C-N 115.289 -0.869 . . . . 0.0 112.131 -175.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.519 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 33.0 t0 -84.91 119.51 25.44 Favored 'General case' 0 CA--C 1.579 2.071 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 -178.239 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.519 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.306 1.0 OUTLIER 74.54 -67.0 0.27 Allowed 'General case' 0 C--N 1.393 2.498 0 C-N-CA 126.735 2.014 . . . . 0.0 109.101 -177.932 . . . . . . . . 4 4 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.275 10.7 t 78.39 27.96 0.49 Allowed 'General case' 0 CA--C 1.582 2.201 0 C-N-CA 126.976 2.11 . . . . 0.0 110.654 178.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.5 m120 58.82 71.85 0.56 Allowed 'General case' 0 C--N 1.392 2.434 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 172.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.568 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 16.8 tp . . . . . 0 CA--C 1.588 2.406 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 177.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.53 3.527 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.0 mp -103.43 117.86 49.56 Favored 'Isoleucine or valine' 0 C--N 1.388 2.266 0 N-CA-C 107.035 -1.468 . . . . 0.0 107.035 -178.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.2 m -138.84 147.49 42.54 Favored 'General case' 0 C--N 1.387 2.203 0 CA-C-O 122.875 1.321 . . . . 0.0 107.774 172.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.417 ' CE1' ' HA ' ' A' ' 59' ' ' LEU . 14.3 m-85 -68.61 149.08 49.57 Favored 'General case' 0 C--N 1.383 2.033 0 CA-C-N 115.315 -0.857 . . . . 0.0 113.272 -164.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -142.05 43.06 1.68 Allowed 'General case' 0 C--N 1.388 2.247 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 177.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.218 8.5 m170 -83.06 -144.07 0.07 Allowed 'General case' 0 C--N 1.386 2.181 0 C-N-CA 125.217 1.407 . . . . 0.0 107.917 174.094 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.319 5.6 mp 66.6 -179.87 0.21 Allowed 'General case' 0 C--N 1.389 2.291 0 O-C-N 120.838 -1.164 . . . . 0.0 113.524 174.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.92 -63.7 3.47 Favored Glycine 0 C--N 1.389 3.478 0 N-CA-C 108.01 -2.036 . . . . 0.0 108.01 -169.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.6 m -165.46 -50.37 0.03 OUTLIER 'General case' 0 C--N 1.379 1.887 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -82.8 133.79 48.31 Favored Pre-proline 0 CA--C 1.591 2.552 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.173 -176.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -102.65 -6.42 0.24 Allowed 'Trans proline' 1 C--N 1.415 4.057 0 N-CA-C 119.442 2.824 . . . . 0.0 119.442 178.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -75.65 -20.72 15.35 Favored 'Trans proline' 0 C--N 1.402 3.388 1 N-CA-C 125.785 5.263 . . . . 0.0 125.785 -173.832 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.7 p -95.06 154.04 17.36 Favored 'General case' 0 C--N 1.393 2.481 0 CA-C-N 124.958 3.526 . . . . 0.0 114.677 -176.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 67.5 p -131.03 143.27 50.58 Favored 'General case' 0 C--N 1.375 1.708 0 CA-C-N 112.76 -2.018 . . . . 0.0 107.62 174.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -88.74 92.84 9.36 Favored 'General case' 0 C--N 1.384 2.098 0 N-CA-C 105.094 -2.188 . . . . 0.0 105.094 -171.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 69.7 m -83.75 101.32 11.5 Favored 'General case' 0 C--N 1.39 2.337 0 N-CA-C 103.421 -2.807 . . . . 0.0 103.421 -178.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.0 t -139.18 161.28 37.79 Favored 'General case' 0 C--N 1.393 2.483 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -165.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.83 -11.32 45.12 Favored 'General case' 0 C--N 1.384 2.069 0 CA-C-N 114.187 -1.37 . . . . 0.0 113.121 -177.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -70.01 123.9 22.71 Favored 'General case' 0 C--N 1.391 2.394 0 N-CA-C 104.465 -2.42 . . . . 0.0 104.465 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.095 15.9 m-20 -46.8 -34.47 5.32 Favored 'General case' 0 C--N 1.385 2.115 0 C-N-CA 128.988 2.915 . . . . 0.0 114.068 -175.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.5 m -121.94 172.22 8.36 Favored 'General case' 0 C--N 1.379 1.891 0 C-N-CA 124.89 1.276 . . . . 0.0 111.944 -175.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.2 p -150.37 159.36 44.52 Favored 'General case' 0 C--N 1.385 2.146 0 C-N-CA 117.627 -1.629 . . . . 0.0 112.951 176.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -124.76 154.8 40.35 Favored 'General case' 0 C--N 1.376 1.741 0 CA-C-N 113.62 -1.627 . . . . 0.0 114.629 -167.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.553 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 64.5 mmtt -108.23 115.11 29.51 Favored 'General case' 0 C--N 1.387 2.196 0 N-CA-C 104.685 -2.339 . . . . 0.0 104.685 176.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.21 119.9 35.47 Favored 'General case' 0 CA--C 1.58 2.102 0 N-CA-C 103.852 -2.647 . . . . 0.0 103.852 -175.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.1 9.64 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.402 2.89 0 N-CA-C 117.105 2.261 . . . . 0.0 117.105 -152.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.501 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -104.06 -109.46 0.26 Allowed 'General case' 0 CA--C 1.594 2.663 0 C-N-CA 131.425 3.89 . . . . 0.0 106.515 -172.478 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.5 t 75.51 162.25 0.25 Allowed 'General case' 0 C--N 1.392 2.423 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 173.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -71.19 -46.47 61.21 Favored 'General case' 0 C--N 1.391 2.373 0 CA-C-N 114.746 -1.116 . . . . 0.0 109.471 175.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -63.59 -6.12 4.86 Favored 'General case' 0 CA--C 1.581 2.17 0 CA-C-O 116.334 -1.793 . . . . 0.0 112.019 176.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 65.64 76.03 0.33 Allowed 'General case' 0 C--N 1.401 2.836 0 CA-C-N 123.333 2.788 . . . . 0.0 104.948 174.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 tp -167.52 167.43 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.401 2.829 0 C-N-CA 116.019 -2.272 . . . . 0.0 115.55 -166.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.5 mt -103.74 100.55 10.69 Favored 'Isoleucine or valine' 0 C--N 1.392 2.433 0 N-CA-C 105.945 -1.872 . . . . 0.0 105.945 173.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.8 ttp85 -140.75 117.32 10.86 Favored 'General case' 0 C--N 1.382 1.99 0 N-CA-C 103.083 -2.932 . . . . 0.0 103.083 -177.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.87 -169.43 2.83 Favored 'General case' 0 C--N 1.389 2.31 0 CA-C-N 113.718 -1.583 . . . . 0.0 112.72 -156.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 169.57 -166.91 40.08 Favored Glycine 0 C--N 1.394 3.758 1 C-N-CA 113.348 -4.263 . . . . 0.0 118.888 -172.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.1 p -70.22 124.12 23.35 Favored 'General case' 0 C--N 1.392 2.421 0 CA-C-O 122.892 1.33 . . . . 0.0 110.985 -177.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.41 -94.0 0.09 OUTLIER Glycine 0 C--N 1.392 3.673 0 N-CA-C 106.006 -2.838 . . . . 0.0 106.006 171.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.421 ' O ' ' SG ' ' A' ' 39' ' ' CYS 2.382 34.4 t 85.02 -47.52 0.08 Allowed 'General case' 0 C--N 1.383 2.038 0 C-N-CA 125.563 1.545 . . . . 0.0 111.188 179.289 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 . . . . . 0 CA--C 1.574 1.887 0 N-CA-C 101.036 -3.69 . . . . 0.0 101.036 -175.843 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 1.966 0 CA-C-O 122.255 0.919 . . . . 0.0 115.062 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -56.27 168.12 2.21 Favored 'Trans proline' 0 C--N 1.387 2.585 0 C-N-CA 121.677 1.585 . . . . 0.0 114.938 175.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -96.23 154.68 17.12 Favored 'General case' 0 C--N 1.382 1.982 0 CA-C-N 113.652 -1.613 . . . . 0.0 107.323 173.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 15.2 m -138.49 157.69 45.7 Favored 'General case' 0 C--N 1.392 2.426 0 N-CA-C 117.939 2.57 . . . . 0.0 117.939 -165.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 23.9 t -119.32 169.1 10.29 Favored 'General case' 0 C--N 1.374 1.641 0 CA-C-N 109.947 -3.297 . . . . 0.0 109.559 172.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -143.76 37.75 1.32 Allowed 'General case' 0 C--N 1.381 1.94 0 C-N-CA 118.305 -1.358 . . . . 0.0 112.0 -178.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.9 p -135.88 174.6 10.43 Favored 'General case' 0 C--N 1.379 1.865 0 C-N-CA 124.036 0.934 . . . . 0.0 111.261 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.462 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 24.6 t0 -68.57 130.56 43.21 Favored 'General case' 0 CA--C 1.585 2.307 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 171.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.462 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 39.9 mmtm 74.04 -83.75 0.03 OUTLIER 'General case' 0 C--N 1.39 2.348 0 C-N-CA 126.326 1.85 . . . . 0.0 112.224 171.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 32.1 p 51.58 68.08 0.86 Allowed 'General case' 0 C--N 1.383 2.038 0 C-N-CA 128.771 2.828 . . . . 0.0 109.395 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 66.47 53.93 0.93 Allowed 'General case' 0 C--N 1.386 2.166 0 O-C-N 121.844 -0.535 . . . . 0.0 110.363 168.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.553 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 6.6 tp . . . . . 0 CA--C 1.585 2.301 0 CA-C-O 116.921 -1.514 . . . . 0.0 108.608 164.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.485 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.53 3.525 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -84.79 121.93 37.47 Favored 'Isoleucine or valine' 0 C--N 1.387 2.202 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 -179.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.6 m -127.11 161.7 27.83 Favored 'General case' 0 C--N 1.391 2.375 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 162.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -75.97 165.09 25.48 Favored 'General case' 0 C--N 1.381 1.957 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 -169.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 49.8 p-10 -142.93 22.85 1.92 Allowed 'General case' 0 C--N 1.392 2.422 0 C-N-CA 119.381 -0.927 . . . . 0.0 110.468 168.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.215 85.2 m-70 -63.93 179.45 0.52 Allowed 'General case' 0 C--N 1.391 2.389 0 C-N-CA 126.227 1.811 . . . . 0.0 114.218 -176.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.311 62.7 mt 75.73 -172.23 0.1 Allowed 'General case' 0 C--N 1.381 1.956 0 C-N-CA 125.381 1.473 . . . . 0.0 114.029 176.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.72 -113.24 3.96 Favored Glycine 0 C--N 1.383 3.186 0 N-CA-C 105.62 -2.992 . . . . 0.0 105.62 -165.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.8 m -82.14 -44.11 16.89 Favored 'General case' 0 C--N 1.382 2.006 0 O-C-N 121.722 -0.869 . . . . 0.0 110.674 -179.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.5 tttm -98.38 140.93 22.17 Favored Pre-proline 0 C--N 1.389 2.284 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -169.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -63.88 168.76 11.43 Favored 'Trans proline' 0 C--N 1.402 3.363 0 C-N-CA 121.627 1.552 . . . . 0.0 113.966 166.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -32.13 132.39 0.08 OUTLIER 'Trans proline' 0 C--N 1.391 2.774 1 C-N-CA 125.65 4.234 . . . . 0.0 115.701 -176.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 174.2 157.31 0.14 Allowed 'General case' 0 CA--C 1.587 2.39 0 C-N-CA 129.28 3.032 . . . . 0.0 105.481 -179.048 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 53.3 p -137.85 169.26 18.09 Favored 'General case' 0 C--N 1.39 2.333 0 N-CA-C 115.477 1.658 . . . . 0.0 115.477 -159.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -111.3 105.49 14.16 Favored 'General case' 0 C--N 1.384 2.108 0 CA-C-O 122.638 1.208 . . . . 0.0 107.954 -173.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.6 m -79.37 121.33 25.01 Favored 'General case' 0 C--N 1.39 2.351 0 N-CA-C 105.446 -2.057 . . . . 0.0 105.446 176.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.3 t -147.38 148.25 31.13 Favored 'General case' 0 C--N 1.393 2.495 0 CA-C-O 123.49 1.614 . . . . 0.0 112.199 -173.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . 0.258 3.0 mp0 -98.14 -2.8 39.15 Favored 'General case' 0 CA--C 1.571 1.77 0 CA-C-N 113.201 -1.818 . . . . 0.0 111.161 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -66.13 119.04 10.73 Favored 'General case' 0 C--N 1.404 2.952 0 N-CA-C 102.644 -3.095 . . . . 0.0 102.644 163.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.109 50.8 m-20 -65.91 4.86 0.56 Allowed 'General case' 0 C--N 1.388 2.257 0 C-N-CA 129.643 3.177 . . . . 0.0 115.835 -172.379 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.2 t -146.68 129.81 16.5 Favored 'General case' 0 C--N 1.375 1.714 0 N-CA-C 103.554 -2.758 . . . . 0.0 103.554 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.5 p -140.25 147.55 40.16 Favored 'General case' 0 C--N 1.38 1.917 0 CA-C-O 123.736 1.731 . . . . 0.0 110.449 -178.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -130.77 166.67 20.29 Favored 'General case' 0 C--N 1.383 2.037 0 N-CA-C 116.715 2.117 . . . . 0.0 116.715 -158.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.46 125.81 51.47 Favored 'General case' 0 C--N 1.38 1.898 0 CA-C-N 110.522 -3.035 . . . . 0.0 106.766 179.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.464 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 3.7 t30 -133.39 124.09 26.52 Favored 'General case' 0 C--N 1.382 1.98 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 -169.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.85 -5.71 2.3 Favored 'Isoleucine or valine' 0 C--N 1.401 2.824 0 N-CA-C 118.1 2.63 . . . . 0.0 118.1 -152.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.483 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -96.66 -88.62 0.28 Allowed 'General case' 0 CA--C 1.577 1.995 1 C-N-CA 136.349 5.859 . . . . 0.0 106.746 179.015 . . . . . . . . 4 4 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.5 t 86.59 -66.61 0.03 OUTLIER 'General case' 0 C--N 1.39 2.359 0 C-N-CA 127.444 2.298 . . . . 0.0 107.598 177.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 57.9 t80 160.34 -46.4 0.0 OUTLIER 'General case' 0 C--N 1.383 2.051 0 C-N-CA 127.564 2.346 . . . . 0.0 104.818 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -71.28 -16.06 62.45 Favored 'General case' 0 C--N 1.385 2.11 0 C-N-CA 126.229 1.812 . . . . 0.0 113.261 174.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 79.89 83.2 0.05 Allowed 'General case' 0 C--N 1.39 2.353 0 C-N-CA 126.779 2.032 . . . . 0.0 106.94 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.2 tp -171.77 164.11 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.39 2.366 0 C-N-CA 119.476 -0.89 . . . . 0.0 111.066 -175.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.5 mp -98.09 95.75 4.67 Favored 'Isoleucine or valine' 0 C--N 1.39 2.354 0 N-CA-C 106.657 -1.608 . . . . 0.0 106.657 -179.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.57 114.37 9.39 Favored 'General case' 0 C--N 1.383 2.054 0 N-CA-C 103.024 -2.954 . . . . 0.0 103.024 -176.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 ptt-85 -145.9 -168.98 3.13 Favored 'General case' 0 C--N 1.385 2.123 0 CA-C-N 112.886 -1.961 . . . . 0.0 114.116 -155.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 173.81 -166.21 38.32 Favored Glycine 0 C--N 1.394 3.772 0 C-N-CA 115.027 -3.463 . . . . 0.0 117.208 -174.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.4 p -92.87 129.89 38.64 Favored 'General case' 0 C--N 1.39 2.332 0 CA-C-O 123.716 1.722 . . . . 0.0 112.006 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.92 -76.86 0.04 OUTLIER Glycine 0 C--N 1.389 3.483 0 N-CA-C 103.515 -3.834 . . . . 0.0 103.515 171.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.372 46.5 t 70.49 -157.62 0.14 Allowed 'General case' 0 C--N 1.388 2.244 0 CA-C-O 122.405 1.098 . . . . 0.0 113.2 175.227 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 . . . . . 0 C--N 1.384 2.098 0 CA-C-N 113.95 -1.477 . . . . 0.0 107.399 172.303 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.563 3.051 0 N-CA-C 106.704 -2.558 . . . . 0.0 106.704 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -66.76 165.86 24.31 Favored 'Trans proline' 0 C--N 1.383 2.361 0 CA-C-O 122.553 0.98 . . . . 0.0 110.856 177.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 39.2 p90 -101.56 137.93 39.23 Favored 'General case' 0 C--N 1.384 2.094 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 178.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 2.8 m -128.85 164.47 23.01 Favored 'General case' 0 C--N 1.395 2.558 0 N-CA-C 117.542 2.423 . . . . 0.0 117.542 -163.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.9 t -131.37 162.67 29.59 Favored 'General case' 0 C--N 1.378 1.815 0 CA-C-N 111.773 -2.467 . . . . 0.0 109.905 173.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -125.89 38.02 4.23 Favored 'General case' 0 C--N 1.38 1.912 0 CA-C-O 122.041 0.924 . . . . 0.0 108.886 171.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.446 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 0.4 OUTLIER -130.79 -172.98 2.95 Favored 'General case' 0 C--N 1.385 2.143 0 C-N-CA 125.644 1.578 . . . . 0.0 111.202 -178.333 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.468 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 37.1 t70 -84.18 106.34 15.73 Favored 'General case' 0 CA--C 1.576 1.981 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 -176.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.468 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.272 11.5 mptt 73.19 -60.34 0.54 Allowed 'General case' 0 C--N 1.396 2.63 0 C-N-CA 126.154 1.782 . . . . 0.0 111.556 176.356 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' A' ' 54' ' ' SER 0.262 3.4 m 60.74 65.14 1.06 Allowed 'General case' 0 C--N 1.374 1.654 0 C-N-CA 127.301 2.241 . . . . 0.0 105.352 -175.909 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.3 m120 84.24 -66.34 0.06 Allowed 'General case' 0 C--N 1.387 2.231 0 C-N-CA 127.948 2.499 . . . . 0.0 111.371 170.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.7 mt . . . . . 0 CA--C 1.628 3.962 0 CA-C-O 115.93 -1.986 . . . . 0.0 109.077 -177.522 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.49 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.533 3.706 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.8 mp -97.99 129.12 48.67 Favored 'Isoleucine or valine' 0 C--N 1.387 2.221 0 CA-C-O 121.891 0.853 . . . . 0.0 111.667 -169.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -139.97 152.31 46.21 Favored 'General case' 0 C--N 1.391 2.398 0 O-C-N 121.231 -0.918 . . . . 0.0 108.702 170.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -104.89 153.72 21.0 Favored 'General case' 0 C--N 1.392 2.428 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -165.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -115.98 22.98 12.57 Favored 'General case' 0 C--N 1.386 2.19 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 175.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.182 20.5 m170 -72.25 -173.84 1.17 Allowed 'General case' 0 C--N 1.39 2.341 0 C-N-CA 127.486 2.315 . . . . 0.0 114.584 -176.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.25 49.5 mt 76.31 -169.93 0.08 Allowed 'General case' 0 C--N 1.386 2.153 0 C-N-CA 125.819 1.648 . . . . 0.0 113.862 176.052 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.35 -54.37 3.52 Favored Glycine 0 C--N 1.385 3.3 0 N-CA-C 110.028 -1.229 . . . . 0.0 110.028 -173.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.4 m -164.36 -41.5 0.03 OUTLIER 'General case' 0 C--N 1.377 1.794 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 -174.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -106.47 126.82 29.5 Favored Pre-proline 0 CA--C 1.581 2.149 0 C-N-CA 123.906 0.883 . . . . 0.0 110.791 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -87.03 -15.45 3.73 Favored 'Trans proline' 0 C--N 1.408 3.668 1 N-CA-C 123.897 4.537 . . . . 0.0 123.897 177.213 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -85.19 -23.53 2.35 Favored 'Trans proline' 0 C--N 1.394 2.966 1 N-CA-C 128.977 6.491 . . . . 0.0 128.977 -168.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.3 p -82.13 140.89 33.53 Favored 'General case' 0 C--N 1.391 2.391 0 CA-C-N 124.652 3.387 . . . . 0.0 114.067 -171.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.5 p -134.06 159.74 39.89 Favored 'General case' 0 C--N 1.383 2.027 0 CA-C-N 113.154 -1.839 . . . . 0.0 111.433 -175.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -124.6 100.87 6.85 Favored 'General case' 0 C--N 1.384 2.097 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 -169.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 54.1 m -81.64 109.39 16.03 Favored 'General case' 0 C--N 1.389 2.305 0 N-CA-C 102.219 -3.252 . . . . 0.0 102.219 175.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.8 t -120.03 156.34 31.1 Favored 'General case' 0 C--N 1.393 2.458 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -161.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.91 2.19 43.49 Favored 'General case' 0 C--N 1.384 2.104 0 C-N-CA 124.897 1.279 . . . . 0.0 111.272 172.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.464 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 26.5 mm-40 -94.06 108.69 20.5 Favored 'General case' 0 C--N 1.392 2.456 0 N-CA-C 103.659 -2.719 . . . . 0.0 103.659 175.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.147 83.1 m-20 -52.43 -20.28 2.74 Favored 'General case' 0 CA--C 1.58 2.1 0 C-N-CA 129.239 3.016 . . . . 0.0 116.848 -171.71 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.4 t -130.76 154.04 48.4 Favored 'General case' 0 C--N 1.378 1.835 0 C-N-CA 125.057 1.343 . . . . 0.0 109.83 -177.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.4 p -145.57 154.3 42.02 Favored 'General case' 0 C--N 1.386 2.178 0 C-N-CA 118.331 -1.348 . . . . 0.0 113.158 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -117.62 139.4 51.04 Favored 'General case' 0 C--N 1.384 2.067 0 CA-C-N 113.925 -1.489 . . . . 0.0 112.317 -167.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -91.25 119.59 31.45 Favored 'General case' 0 CA--C 1.58 2.124 0 N-CA-C 105.619 -1.993 . . . . 0.0 105.619 176.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.445 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 1.4 t30 -113.27 115.3 27.97 Favored 'General case' 0 CA--C 1.582 2.202 0 N-CA-C 100.954 -3.721 . . . . 0.0 100.954 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -121.28 -13.57 7.99 Favored 'Isoleucine or valine' 0 C--N 1.398 2.705 0 N-CA-C 117.748 2.499 . . . . 0.0 117.748 -153.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.564 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -86.76 -99.58 0.07 Allowed 'General case' 0 CA--C 1.59 2.49 1 C-N-CA 135.954 5.702 . . . . 0.0 105.799 178.758 . . . . . . . . 4 4 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.301 12.3 t 87.69 -76.38 0.01 OUTLIER 'General case' 0 C--N 1.392 2.414 0 C-N-CA 126.443 1.897 . . . . 0.0 107.375 173.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.6 p90 179.84 -47.17 0.01 OUTLIER 'General case' 0 C--N 1.388 2.252 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 179.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.8 p30 -69.93 -35.32 74.45 Favored 'General case' 0 C--N 1.378 1.823 0 C-N-CA 129.314 3.046 . . . . 0.0 111.468 176.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 96.29 79.33 0.0 OUTLIER 'General case' 0 C--N 1.386 2.194 0 C-N-CA 129.939 3.296 . . . . 0.0 104.592 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.3 tp -157.76 156.58 4.08 Favored 'Isoleucine or valine' 0 C--N 1.394 2.521 0 C-N-CA 118.393 -1.323 . . . . 0.0 114.037 -174.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 85.3 mt -91.11 90.79 3.38 Favored 'Isoleucine or valine' 0 C--N 1.392 2.44 0 N-CA-C 104.916 -2.253 . . . . 0.0 104.916 177.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -135.93 101.47 4.75 Favored 'General case' 0 C--N 1.382 1.989 0 N-CA-C 101.817 -3.401 . . . . 0.0 101.817 -176.275 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.55 -173.69 4.03 Favored 'General case' 0 C--N 1.394 2.54 0 N-CA-C 116.18 1.919 . . . . 0.0 116.18 -151.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -132.85 157.23 22.52 Favored Glycine 0 C--N 1.395 3.841 0 N-CA-C 118.634 2.214 . . . . 0.0 118.634 -169.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.464 ' SG ' ' HB2' ' A' ' 19' ' ' GLU . 34.9 t -85.62 108.26 17.9 Favored 'General case' 0 C--N 1.383 2.051 0 N-CA-C 104.063 -2.569 . . . . 0.0 104.063 172.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -165.89 -86.78 0.06 OUTLIER Glycine 0 C--N 1.397 3.967 0 N-CA-C 106.396 -2.682 . . . . 0.0 106.396 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 40' ' ' PHE 2.39 42.0 t 72.97 -161.54 0.1 Allowed 'General case' 0 C--N 1.388 2.256 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 175.781 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.405 ' N ' ' SG ' ' A' ' 39' ' ' CYS . 4.1 m-85 . . . . . 0 C--N 1.383 2.037 0 CA-C-N 113.787 -1.551 . . . . 0.0 108.254 174.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.564 3.115 0 CA-C-O 114.818 -3.212 . . . . 0.0 114.298 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 0.0 OUTLIER 46.52 -157.58 0.0 OUTLIER 'Trans proline' 1 C--N 1.421 4.377 0 CA-C-N 122.112 2.956 . . . . 0.0 118.4 166.907 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.25 136.82 53.91 Favored 'General case' 0 CA--C 1.583 2.223 0 N-CA-C 105.936 -1.876 . . . . 0.0 105.936 176.008 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.6 m -121.98 164.67 17.23 Favored 'General case' 0 C--N 1.395 2.573 0 N-CA-C 117.769 2.507 . . . . 0.0 117.769 -170.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.9 t -135.92 160.89 37.21 Favored 'General case' 0 C--N 1.383 2.059 0 CA-C-N 112.854 -1.975 . . . . 0.0 109.999 174.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . 0.255 9.0 pt-20 -136.24 53.19 1.94 Allowed 'General case' 0 C--N 1.386 2.162 0 O-C-N 121.3 -0.875 . . . . 0.0 110.101 176.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.8 t -157.46 88.81 1.01 Allowed 'General case' 0 C--N 1.39 2.345 0 N-CA-C 105.866 -1.901 . . . . 0.0 105.866 177.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.1 t0 60.38 -157.23 0.34 Allowed 'General case' 0 C--N 1.391 2.376 0 CA-C-O 123.504 1.621 . . . . 0.0 109.207 176.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -25.55 66.04 Favored 'General case' 0 C--N 1.384 2.103 0 CA-C-N 114.492 -1.231 . . . . 0.0 111.04 178.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 27.2 t 66.58 44.97 2.15 Favored 'General case' 0 C--N 1.389 2.301 0 CA-C-N 120.3 1.409 . . . . 0.0 107.795 172.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.9 t30 64.57 100.22 0.04 OUTLIER 'General case' 0 C--N 1.394 2.516 0 C-N-CA 127.149 2.179 . . . . 0.0 107.825 177.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.6 tp . . . . . 0 C--N 1.39 2.346 0 N-CA-C 104.958 -2.238 . . . . 0.0 104.958 -179.149 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.474 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.535 3.816 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 65.8 mt -82.39 126.57 40.0 Favored 'Isoleucine or valine' 0 C--N 1.395 2.553 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 -178.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -151.81 138.9 19.15 Favored 'General case' 0 C--N 1.393 2.466 0 N-CA-C 107.081 -1.452 . . . . 0.0 107.081 176.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -94.69 152.11 18.74 Favored 'General case' 0 C--N 1.4 2.771 0 N-CA-C 115.97 1.841 . . . . 0.0 115.97 -160.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -128.27 57.21 1.58 Allowed 'General case' 0 C--N 1.386 2.165 0 N-CA-C 103.859 -2.645 . . . . 0.0 103.859 175.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.193 13.3 m170 -98.53 -165.3 1.23 Allowed 'General case' 0 C--N 1.385 2.113 0 C-N-CA 128.382 2.673 . . . . 0.0 111.165 175.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.403 ' H ' ' HA ' ' A' ' 11' ' ' PRO 0.361 4.5 mp 76.57 -179.14 0.14 Allowed 'General case' 0 C--N 1.385 2.126 0 N-CA-C 116.027 1.862 . . . . 0.0 116.027 170.354 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.82 -50.22 3.43 Favored Glycine 0 C--N 1.39 3.546 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.094 -171.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 88.2 m -166.9 -38.09 0.02 OUTLIER 'General case' 0 C--N 1.382 1.983 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 -175.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -113.5 112.19 48.88 Favored Pre-proline 0 C--N 1.389 2.287 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -178.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.403 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 36.9 Cg_exo -86.93 -3.26 8.11 Favored 'Trans proline' 0 CA--C 1.593 3.465 0 N-CA-C 120.165 3.102 . . . . 0.0 120.165 179.252 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -76.5 -21.85 12.8 Favored 'Trans proline' 0 C--N 1.398 3.157 1 N-CA-C 126.227 5.434 . . . . 0.0 126.227 -172.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.4 p -92.56 142.2 27.65 Favored 'General case' 0 C--N 1.394 2.511 0 CA-C-N 125.152 3.615 . . . . 0.0 115.177 -173.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 59.1 p -128.42 144.07 51.08 Favored 'General case' 0 C--N 1.379 1.867 0 CA-C-N 112.006 -2.361 . . . . 0.0 108.842 -177.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -112.45 99.68 8.18 Favored 'General case' 0 C--N 1.384 2.08 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 -167.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.4 m -75.63 100.17 4.54 Favored 'General case' 0 C--N 1.391 2.403 0 N-CA-C 101.965 -3.346 . . . . 0.0 101.965 171.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 38.2 t -115.38 154.13 29.77 Favored 'General case' 0 C--N 1.384 2.065 0 CA-C-O 123.524 1.63 . . . . 0.0 110.421 -172.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -99.27 -12.25 20.54 Favored 'General case' 0 C--N 1.374 1.632 0 CA-C-N 112.677 -2.056 . . . . 0.0 111.564 -171.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -70.5 113.08 7.27 Favored 'General case' 0 C--N 1.395 2.545 0 N-CA-C 102.612 -3.107 . . . . 0.0 102.612 171.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.2 68.6 m-20 -59.09 8.45 0.01 OUTLIER 'General case' 0 C--N 1.389 2.301 0 C-N-CA 130.44 3.496 . . . . 0.0 117.071 -169.524 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.4 p -153.46 149.68 28.0 Favored 'General case' 0 C--N 1.377 1.797 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 171.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.1 p -142.03 163.81 31.88 Favored 'General case' 0 C--N 1.38 1.915 0 C-N-CA 118.009 -1.476 . . . . 0.0 113.313 -175.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 44.1 p90 -130.43 149.93 51.88 Favored 'General case' 0 C--N 1.381 1.957 0 CA-C-O 123.331 1.539 . . . . 0.0 114.986 -162.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt -107.61 113.15 26.25 Favored 'General case' 0 C--N 1.384 2.087 0 N-CA-C 105.367 -2.086 . . . . 0.0 105.367 -178.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -115.86 128.95 56.2 Favored 'General case' 0 CA--C 1.586 2.364 0 C-N-CA 128.336 2.654 . . . . 0.0 105.552 -173.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -138.64 15.58 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.404 2.975 0 N-CA-C 116.832 2.16 . . . . 0.0 116.832 -151.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.55 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -120.21 -92.64 0.53 Allowed 'General case' 0 CA--C 1.581 2.142 0 C-N-CA 131.279 3.832 . . . . 0.0 105.523 -171.258 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.288 15.2 t 79.43 -90.62 0.02 OUTLIER 'General case' 0 C--N 1.387 2.235 0 C-N-CA 126.639 1.976 . . . . 0.0 108.795 174.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -172.32 -55.2 0.02 OUTLIER 'General case' 0 C--N 1.389 2.287 0 N-CA-C 105.843 -1.91 . . . . 0.0 105.843 -176.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -65.59 -7.65 16.02 Favored 'General case' 0 CA--C 1.579 2.074 0 C-N-CA 130.207 3.403 . . . . 0.0 113.209 175.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 t30 72.96 74.05 0.14 Allowed 'General case' 0 C--N 1.392 2.456 0 C-N-CA 127.285 2.234 . . . . 0.0 105.805 177.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 tp -157.35 160.31 2.2 Favored 'Isoleucine or valine' 0 C--N 1.395 2.574 0 C-N-CA 117.653 -1.619 . . . . 0.0 114.398 -169.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 93.2 mt -96.34 101.27 12.14 Favored 'Isoleucine or valine' 0 C--N 1.393 2.462 0 N-CA-C 104.746 -2.316 . . . . 0.0 104.746 174.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.45 116.54 10.49 Favored 'General case' 0 C--N 1.383 2.025 0 N-CA-C 102.076 -3.305 . . . . 0.0 102.076 -178.368 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.49 -170.9 3.72 Favored 'General case' 0 C--N 1.393 2.465 0 C-N-CA 118.193 -1.403 . . . . 0.0 114.733 -156.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -167.83 -162.94 20.85 Favored Glycine 0 C--N 1.394 3.765 0 C-N-CA 114.8 -3.571 . . . . 0.0 117.227 -173.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.3 p -110.29 126.12 53.86 Favored 'General case' 0 C--N 1.387 2.199 0 CA-C-O 123.017 1.389 . . . . 0.0 111.162 -177.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.19 -87.76 0.07 OUTLIER Glycine 0 C--N 1.392 3.692 0 N-CA-C 104.096 -3.602 . . . . 0.0 104.096 177.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.426 ' O ' ' SG ' ' A' ' 39' ' ' CYS 2.364 45.0 t 75.93 -50.62 0.62 Allowed 'General case' 0 C--N 1.388 2.271 0 C-N-CA 125.124 1.37 . . . . 0.0 111.96 176.713 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 . . . . . 0 CA--C 1.581 2.172 0 N-CA-C 105.472 -2.048 . . . . 0.0 105.472 -176.686 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.57 3.52 0 N-CA-C 115.347 0.899 . . . . 0.0 115.347 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -60.82 171.4 3.68 Favored 'Trans proline' 0 C--N 1.39 2.723 0 C-N-CA 124.986 3.791 . . . . 0.0 113.844 169.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -85.92 149.52 25.15 Favored 'General case' 0 C--N 1.387 2.223 0 C-N-CA 118.245 -1.382 . . . . 0.0 110.09 178.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.5 m -124.54 166.94 15.17 Favored 'General case' 0 C--N 1.39 2.358 0 N-CA-C 117.514 2.413 . . . . 0.0 117.514 -166.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -146.47 149.48 33.75 Favored 'General case' 0 C--N 1.381 1.956 0 CA-C-N 113.111 -1.859 . . . . 0.0 109.069 -178.086 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . 0.288 0.1 OUTLIER -127.5 32.98 4.92 Favored 'General case' 0 C--N 1.385 2.122 0 CA-C-O 122.202 1.001 . . . . 0.0 111.361 177.078 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.3 t -119.01 -177.73 3.4 Favored 'General case' 0 CA--C 1.577 2.008 0 C-N-CA 127.854 2.461 . . . . 0.0 110.028 176.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.563 ' CG ' ' HZ1' ' A' ' 56' ' ' LYS . 45.1 t0 -83.59 114.13 21.31 Favored 'General case' 0 CA--C 1.586 2.356 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -175.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.563 ' HZ1' ' CG ' ' A' ' 55' ' ' ASP 0.271 3.9 mppt? 73.48 -63.61 0.43 Allowed 'General case' 0 C--N 1.402 2.884 0 C-N-CA 125.952 1.701 . . . . 0.0 111.881 178.773 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.294 67.8 m 75.84 53.64 0.06 Allowed 'General case' 0 C--N 1.376 1.736 0 C-N-CA 127.739 2.416 . . . . 0.0 109.079 -176.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 57.95 77.7 0.27 Allowed 'General case' 0 C--N 1.389 2.292 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 169.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.9 tp . . . . . 0 CA--C 1.583 2.217 0 N-CA-C 103.098 -2.927 . . . . 0.0 103.098 -175.083 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.538 3.948 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.0 mt -144.38 134.52 20.11 Favored 'Isoleucine or valine' 0 C--N 1.387 2.223 0 CA-C-N 119.73 1.15 . . . . 0.0 110.023 -172.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 99.5 m -136.1 151.11 49.46 Favored 'General case' 0 CA--C 1.593 2.611 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 166.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -94.27 135.55 35.54 Favored 'General case' 0 C--N 1.398 2.692 0 C-N-CA 118.45 -1.3 . . . . 0.0 114.447 -161.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -126.81 5.35 6.65 Favored 'General case' 0 C--N 1.395 2.581 0 O-C-N 121.314 -0.866 . . . . 0.0 113.069 -171.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.107 0.4 OUTLIER -72.4 -33.62 67.3 Favored 'General case' 0 C--N 1.382 2.001 0 C-N-CA 124.231 1.012 . . . . 0.0 113.362 -165.113 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.5 mt -58.39 -170.69 0.01 OUTLIER 'General case' 0 C--N 1.385 2.129 0 C-N-CA 128.403 2.681 . . . . 0.0 116.174 -173.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.04 38.91 17.7 Favored Glycine 0 C--N 1.388 3.455 0 CA-C-O 117.556 -1.691 . . . . 0.0 112.544 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.4 m 94.17 -37.7 0.02 OUTLIER 'General case' 0 C--N 1.393 2.497 0 C-N-CA 129.844 3.257 . . . . 0.0 110.02 -178.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -64.74 159.1 64.86 Favored Pre-proline 0 CA--C 1.587 2.368 0 C-N-CA 123.705 0.802 . . . . 0.0 110.149 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -74.91 158.99 42.21 Favored 'Trans proline' 0 C--N 1.4 3.253 0 N-CA-C 114.173 0.797 . . . . 0.0 114.173 -175.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.6 OUTLIER -53.95 138.98 70.35 Favored 'Trans proline' 0 C--N 1.396 3.044 0 C-N-CA 122.392 2.062 . . . . 0.0 115.097 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.263 0.1 OUTLIER 174.19 164.0 0.2 Allowed 'General case' 0 C--N 1.392 2.445 0 CA-C-O 122.913 1.34 . . . . 0.0 108.252 -179.137 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.2 p -136.34 154.66 50.78 Favored 'General case' 0 C--N 1.385 2.121 0 C-N-CA 119.279 -0.969 . . . . 0.0 113.173 -171.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -92.34 95.72 9.85 Favored 'General case' 0 C--N 1.384 2.099 0 N-CA-C 104.006 -2.59 . . . . 0.0 104.006 -178.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 93.5 m -89.86 106.14 18.27 Favored 'General case' 0 C--N 1.387 2.226 0 N-CA-C 103.593 -2.743 . . . . 0.0 103.593 -178.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -124.68 155.82 38.59 Favored 'General case' 0 C--N 1.385 2.142 0 CA-C-O 121.919 0.866 . . . . 0.0 112.992 -167.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -98.69 2.23 46.93 Favored 'General case' 0 C--N 1.383 2.03 0 CA-C-O 117.818 -1.087 . . . . 0.0 111.692 175.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -93.9 158.73 15.5 Favored 'General case' 0 C--N 1.394 2.523 0 CA-C-N 121.915 2.143 . . . . 0.0 113.171 -173.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.116 0.9 OUTLIER -46.01 -42.8 13.7 Favored 'General case' 0 C--N 1.387 2.218 0 C-N-CA 129.774 3.23 . . . . 0.0 115.246 -169.801 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.0 m -140.27 154.61 46.9 Favored 'General case' 0 C--N 1.384 2.095 0 CA-C-O 122.622 1.201 . . . . 0.0 112.934 -172.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.291 20.5 p -139.03 148.22 43.11 Favored 'General case' 0 C--N 1.387 2.207 0 CA-C-O 123.164 1.459 . . . . 0.0 112.191 174.433 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -118.68 166.94 12.14 Favored 'General case' 0 C--N 1.386 2.155 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 -163.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.647 ' HZ2' ' C ' ' A' ' 59' ' ' LEU . 7.1 mmtt -120.6 113.86 20.87 Favored 'General case' 0 C--N 1.386 2.153 0 N-CA-C 106.115 -1.809 . . . . 0.0 106.115 -177.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.49 ' H ' ' HB3' ' A' ' 35' ' ' ARG . 3.4 t30 -115.32 117.05 29.36 Favored 'General case' 0 CA--C 1.574 1.881 0 N-CA-C 102.473 -3.158 . . . . 0.0 102.473 -174.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -114.47 -21.06 5.61 Favored 'Isoleucine or valine' 0 C--N 1.394 2.506 0 N-CA-C 116.44 2.015 . . . . 0.0 116.44 -151.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.545 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -90.01 -106.39 0.09 Allowed 'General case' 0 CA--C 1.596 2.717 1 C-N-CA 135.963 5.705 . . . . 0.0 109.663 -178.321 . . . . . . . . 4 4 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.2 t 81.93 157.74 0.13 Allowed 'General case' 0 C--N 1.396 2.589 0 C-N-CA 126.725 2.01 . . . . 0.0 114.502 176.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -75.93 -47.3 25.75 Favored 'General case' 0 C--N 1.397 2.643 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 172.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.6 p-10 -77.65 67.79 3.61 Favored 'General case' 0 C--N 1.388 2.261 0 N-CA-C 104.022 -2.584 . . . . 0.0 104.022 169.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -37.45 113.57 0.27 Allowed 'General case' 0 C--N 1.394 2.527 0 C-N-CA 129.014 2.926 . . . . 0.0 109.995 -167.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.5 tp 179.57 164.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.403 2.925 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -172.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 23.8 mt -90.53 99.45 9.59 Favored 'Isoleucine or valine' 0 C--N 1.397 2.648 0 N-CA-C 102.954 -2.98 . . . . 0.0 102.954 165.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.5 ttp85 -144.48 122.49 12.08 Favored 'General case' 0 C--N 1.382 2.014 0 N-CA-C 103.595 -2.743 . . . . 0.0 103.595 -176.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.49 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -158.8 -173.95 4.52 Favored 'General case' 0 C--N 1.389 2.288 0 C-N-CA 117.535 -1.666 . . . . 0.0 112.754 -156.323 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 175.33 -166.69 38.32 Favored Glycine 0 C--N 1.393 3.736 1 C-N-CA 112.214 -4.803 . . . . 0.0 120.576 -167.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.0 t -74.91 113.61 12.42 Favored 'General case' 0 C--N 1.386 2.153 0 CA-C-N 113.173 -1.514 . . . . 0.0 108.816 -176.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.63 -103.36 0.17 Allowed Glycine 0 C--N 1.396 3.881 0 N-CA-C 106.277 -2.729 . . . . 0.0 106.277 174.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.317 50.2 t 91.53 -45.27 0.02 OUTLIER 'General case' 0 C--N 1.384 2.089 0 CA-C-O 121.705 0.765 . . . . 0.0 112.079 175.12 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 . . . . . 0 C--N 1.385 2.132 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 -168.664 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.57 3.506 0 N-CA-C 112.221 -0.352 . . . . 0.0 112.221 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -62.21 171.84 4.79 Favored 'Trans proline' 0 C--N 1.392 2.83 0 C-N-CA 121.758 1.639 . . . . 0.0 111.52 166.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -96.59 163.04 13.19 Favored 'General case' 0 C--N 1.386 2.194 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.493 176.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.5 m -148.28 166.68 27.26 Favored 'General case' 0 C--N 1.398 2.698 0 N-CA-C 118.615 2.82 . . . . 0.0 118.615 -163.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.4 t -134.34 158.65 43.25 Favored 'General case' 0 C--N 1.385 2.147 0 CA-C-N 113.309 -1.768 . . . . 0.0 111.119 176.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -115.17 39.97 2.78 Favored 'General case' 0 C--N 1.384 2.103 0 CA-C-O 121.74 0.781 . . . . 0.0 110.228 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 38.5 m -154.55 171.12 19.95 Favored 'General case' 0 C--N 1.384 2.077 0 CA-C-O 122.151 0.976 . . . . 0.0 111.418 178.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -68.78 109.61 3.93 Favored 'General case' 0 CA--C 1.585 2.297 0 CA-C-O 123.063 1.411 . . . . 0.0 109.139 -173.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.269 0.0 OUTLIER 75.0 -73.33 0.1 Allowed 'General case' 0 C--N 1.395 2.555 0 C-N-CA 129.23 3.012 . . . . 0.0 109.821 -179.13 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 24.9 m 75.94 -49.49 0.6 Allowed 'General case' 0 C--N 1.384 2.104 0 C-N-CA 129.11 2.964 . . . . 0.0 110.97 -177.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -158.27 72.68 0.63 Allowed 'General case' 0 C--N 1.383 2.059 0 N-CA-C 104.324 -2.472 . . . . 0.0 104.324 -176.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.647 ' C ' ' HZ2' ' A' ' 24' ' ' LYS . 47.5 mt . . . . . 0 CA--C 1.615 3.462 0 C-N-CA 125.95 1.7 . . . . 0.0 107.936 -175.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.545 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 1 N--CA 1.539 4.015 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 . . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.1 mp -102.17 122.89 54.99 Favored 'Isoleucine or valine' 0 C--N 1.393 2.469 0 CA-C-N 118.94 0.791 . . . . 0.0 109.415 -174.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.2 m -139.21 149.7 44.68 Favored 'General case' 0 C--N 1.391 2.376 0 CA-C-O 122.516 1.151 . . . . 0.0 108.279 169.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -93.31 168.28 11.18 Favored 'General case' 0 C--N 1.387 2.209 0 N-CA-C 115.154 1.539 . . . . 0.0 115.154 -162.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 43.1 p-10 -141.81 24.36 2.03 Favored 'General case' 0 C--N 1.387 2.226 0 C-N-CA 118.539 -1.264 . . . . 0.0 111.368 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.188 18.0 m170 -73.79 -150.88 0.03 OUTLIER 'General case' 0 CA--C 1.585 2.313 0 C-N-CA 125.083 1.353 . . . . 0.0 111.127 -177.25 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.443 ' H ' ' HA ' ' A' ' 11' ' ' PRO . 30.3 mt 62.3 -174.75 0.14 Allowed 'General case' 0 C--N 1.394 2.504 0 O-C-N 120.548 -1.345 . . . . 0.0 112.253 175.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.72 45.73 90.45 Favored Glycine 0 C--N 1.385 3.251 0 CA-C-O 117.924 -1.487 . . . . 0.0 110.702 179.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 92.4 m 112.53 -41.72 0.0 OUTLIER 'General case' 0 C--N 1.392 2.431 0 C-N-CA 129.932 3.293 . . . . 0.0 110.732 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -135.24 118.37 12.84 Favored Pre-proline 0 C--N 1.384 2.09 0 CA-C-O 118.06 -0.971 . . . . 0.0 110.633 -168.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.443 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 66.1 Cg_exo -87.77 -2.6 7.37 Favored 'Trans proline' 0 CA--C 1.598 3.685 0 N-CA-C 120.819 3.354 . . . . 0.0 120.819 175.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -67.66 -10.32 28.36 Favored 'Trans proline' 0 C--N 1.396 3.063 1 N-CA-C 125.846 5.287 . . . . 0.0 125.846 -174.459 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.7 p -126.58 158.06 37.22 Favored 'General case' 0 C--N 1.392 2.438 0 CA-C-N 125.51 3.777 . . . . 0.0 117.407 -176.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 57.8 p -139.51 157.93 45.0 Favored 'General case' 0 C--N 1.387 2.217 0 CA-C-N 112.414 -2.175 . . . . 0.0 111.578 -173.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -112.55 106.14 14.51 Favored 'General case' 0 C--N 1.39 2.345 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 -177.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.3 m -76.02 105.51 7.1 Favored 'General case' 0 C--N 1.395 2.568 0 N-CA-C 101.559 -3.497 . . . . 0.0 101.559 166.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.0 t -120.57 154.46 35.35 Favored 'General case' 0 C--N 1.393 2.467 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -165.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -110.11 3.38 20.18 Favored 'General case' 0 C--N 1.383 2.04 0 C-N-CA 125.649 1.579 . . . . 0.0 110.553 176.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -89.94 97.45 11.19 Favored 'General case' 0 C--N 1.395 2.555 0 N-CA-C 101.688 -3.449 . . . . 0.0 101.688 172.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.545 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.191 30.9 m-20 -42.64 -17.75 0.01 OUTLIER 'General case' 0 CA--C 1.582 2.196 1 C-N-CA 133.23 4.612 . . . . 0.0 118.369 -166.427 . . . . . . . . 4 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.1 t -129.94 142.2 50.68 Favored 'General case' 0 C--N 1.376 1.751 0 C-N-CA 125.607 1.563 . . . . 0.0 107.333 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -127.12 165.81 18.83 Favored 'General case' 0 C--N 1.383 2.057 0 CA-C-O 122.447 1.117 . . . . 0.0 112.178 177.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 48.7 p90 -138.55 158.69 43.78 Favored 'General case' 0 C--N 1.376 1.755 0 CA-C-N 113.586 -1.643 . . . . 0.0 114.086 -168.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.686 ' HZ1' ' C ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -111.35 119.85 40.24 Favored 'General case' 0 C--N 1.381 1.96 0 CA-C-N 111.58 -2.555 . . . . 0.0 105.598 177.851 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -120.02 119.66 34.04 Favored 'General case' 0 CA--C 1.584 2.25 0 N-CA-C 102.594 -3.113 . . . . 0.0 102.594 -178.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.68 35.97 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.397 2.652 0 N-CA-C 115.665 1.728 . . . . 0.0 115.665 -151.03 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.498 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -154.19 -95.29 0.04 OUTLIER 'General case' 0 CA--C 1.575 1.936 0 CA-C-N 113.04 -1.891 . . . . 0.0 106.222 -164.509 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.1 t 77.22 -11.42 1.2 Allowed 'General case' 0 C--N 1.391 2.376 0 CA-C-O 117.327 -1.321 . . . . 0.0 113.465 173.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . 0.312 74.6 t80 89.79 -45.85 0.02 OUTLIER 'General case' 0 C--N 1.392 2.43 0 CA-C-N 121.938 2.154 . . . . 0.0 109.697 -176.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -65.7 -9.85 31.4 Favored 'General case' 0 CA--C 1.584 2.268 0 CA-C-O 118.145 -0.931 . . . . 0.0 110.839 172.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.0 t30 76.17 69.92 0.07 Allowed 'General case' 0 C--N 1.396 2.621 0 C-N-CA 127.354 2.262 . . . . 0.0 107.153 172.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 tp -167.77 164.42 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.392 2.428 0 C-N-CA 117.452 -1.699 . . . . 0.0 113.522 -171.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.5 mt -92.79 102.92 14.12 Favored 'Isoleucine or valine' 0 C--N 1.383 2.027 0 N-CA-C 105.59 -2.004 . . . . 0.0 105.59 174.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.99 120.61 19.39 Favored 'General case' 0 C--N 1.387 2.237 0 N-CA-C 102.644 -3.095 . . . . 0.0 102.644 174.257 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.54 -161.02 0.69 Allowed 'General case' 0 C--N 1.384 2.104 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.809 -161.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 159.27 -155.95 27.05 Favored Glycine 0 C--N 1.388 3.461 0 C-N-CA 115.722 -3.132 . . . . 0.0 115.419 -177.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.1 p -96.09 123.99 39.92 Favored 'General case' 0 C--N 1.385 2.135 0 CA-C-O 123.338 1.542 . . . . 0.0 112.107 -175.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.43 -85.43 0.06 OUTLIER Glycine 0 C--N 1.393 3.71 0 N-CA-C 104.167 -3.573 . . . . 0.0 104.167 173.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.31 51.7 t 82.59 -42.49 0.12 Allowed 'General case' 0 C--N 1.391 2.38 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 171.437 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 . . . . . 0 C--N 1.386 2.185 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 -166.332 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 CA--C 1.586 4.488 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -73.25 173.07 14.33 Favored 'Trans proline' 0 C--N 1.388 2.615 0 C-N-CA 124.156 3.237 . . . . 0.0 110.894 175.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -96.35 141.05 30.14 Favored 'General case' 0 C--N 1.392 2.434 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 176.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.0 m -123.32 166.71 14.84 Favored 'General case' 0 C--N 1.392 2.444 0 N-CA-C 117.797 2.517 . . . . 0.0 117.797 -167.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.8 t -135.95 162.03 33.99 Favored 'General case' 0 C--N 1.379 1.886 0 CA-C-N 112.003 -2.362 . . . . 0.0 110.689 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . 0.254 0.2 OUTLIER -126.49 38.69 4.08 Favored 'General case' 0 C--N 1.381 1.967 0 CA-C-O 121.752 0.787 . . . . 0.0 109.978 176.092 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.433 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 9.0 t -134.45 173.55 11.51 Favored 'General case' 0 C--N 1.385 2.112 0 C-N-CA 125.106 1.362 . . . . 0.0 110.69 178.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.497 ' CG ' ' NZ ' ' A' ' 56' ' ' LYS . 40.1 t0 -73.72 120.24 19.05 Favored 'General case' 0 CA--C 1.582 2.177 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 -176.303 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.497 ' NZ ' ' CG ' ' A' ' 55' ' ' ASP 0.273 0.0 OUTLIER 71.68 -68.35 0.22 Allowed 'General case' 0 C--N 1.399 2.734 0 C-N-CA 127.25 2.22 . . . . 0.0 111.047 -179.953 . . . . . . . . 4 4 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' ' 54' ' ' SER . 13.8 m 60.94 60.05 1.93 Allowed 'General case' 0 C--N 1.38 1.899 0 C-N-CA 127.721 2.408 . . . . 0.0 104.905 -170.548 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 52.8 t30 65.95 88.29 0.11 Allowed 'General case' 0 C--N 1.391 2.386 0 C-N-CA 125.066 1.346 . . . . 0.0 107.437 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.686 ' C ' ' HZ1' ' A' ' 24' ' ' LYS . 20.8 mt . . . . . 0 CA--C 1.6 2.894 0 C-N-CA 128.018 2.527 . . . . 0.0 110.646 176.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER . . . . . 1 N--CA 1.54 4.029 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 . . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.0 mp -87.7 117.0 30.76 Favored 'Isoleucine or valine' 0 C--N 1.397 2.661 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 178.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -146.21 145.64 30.51 Favored 'General case' 0 C--N 1.389 2.311 0 N-CA-C 106.747 -1.575 . . . . 0.0 106.747 174.302 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -93.66 148.13 22.39 Favored 'General case' 0 C--N 1.398 2.676 0 C-N-CA 117.258 -1.777 . . . . 0.0 114.82 -158.174 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -118.24 37.83 3.89 Favored 'General case' 0 C--N 1.389 2.318 0 O-C-N 120.841 -1.162 . . . . 0.0 108.978 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.209 26.0 m170 -81.13 -154.85 0.11 Allowed 'General case' 0 C--N 1.385 2.135 0 C-N-CA 127.207 2.203 . . . . 0.0 113.412 -173.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.303 11.3 mt 59.09 -169.89 0.13 Allowed 'General case' 0 C--N 1.385 2.12 0 CA-C-O 122.183 0.992 . . . . 0.0 111.53 176.096 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.85 -58.35 3.66 Favored Glycine 0 C--N 1.383 3.14 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.545 -177.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.4 m -168.67 -41.09 0.02 OUTLIER 'General case' 0 C--N 1.383 2.03 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 -170.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -114.26 105.78 53.63 Favored Pre-proline 0 CA--C 1.586 2.354 0 N-CA-C 106.376 -1.713 . . . . 0.0 106.376 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_exo -79.79 -0.59 10.81 Favored 'Trans proline' 0 C--N 1.408 3.671 0 N-CA-C 121.718 3.699 . . . . 0.0 121.718 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -81.88 -23.37 4.69 Favored 'Trans proline' 0 C--N 1.4 3.265 1 N-CA-C 125.912 5.312 . . . . 0.0 125.912 -173.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.8 p -83.22 137.08 34.18 Favored 'General case' 0 C--N 1.398 2.682 0 CA-C-N 124.712 3.415 . . . . 0.0 113.475 -173.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 52.9 p -116.93 138.05 51.8 Favored 'General case' 0 C--N 1.375 1.681 0 CA-C-N 112.308 -2.224 . . . . 0.0 105.479 172.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -100.25 93.38 5.66 Favored 'General case' 0 C--N 1.383 2.049 0 N-CA-C 106.163 -1.791 . . . . 0.0 106.163 -171.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.7 t -61.87 127.51 31.77 Favored 'General case' 0 C--N 1.398 2.678 0 N-CA-C 103.501 -2.777 . . . . 0.0 103.501 162.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 1' ' ' ARG . 7.8 t -142.89 146.75 34.36 Favored 'General case' 0 C--N 1.382 2.015 0 CA-C-O 122.886 1.327 . . . . 0.0 110.151 -175.399 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -100.05 2.33 43.21 Favored 'General case' 0 CA--C 1.574 1.895 0 CA-C-N 113.657 -1.611 . . . . 0.0 110.268 -177.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -79.39 115.49 19.06 Favored 'General case' 0 C--N 1.394 2.532 0 N-CA-C 103.453 -2.795 . . . . 0.0 103.453 172.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.419 ' OD2' ' N ' ' A' ' 1' ' ' ARG 2.21 54.9 m-20 -60.76 1.79 0.13 Allowed 'General case' 0 C--N 1.392 2.452 0 C-N-CA 128.072 2.549 . . . . 0.0 117.276 -166.051 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 86.0 p -150.15 148.16 28.62 Favored 'General case' 0 C--N 1.382 1.996 0 CA-C-N 121.265 1.848 . . . . 0.0 108.035 174.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 p -139.37 155.07 47.9 Favored 'General case' 0 C--N 1.386 2.184 0 CA-C-O 123.476 1.608 . . . . 0.0 113.101 -175.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -134.93 147.78 49.88 Favored 'General case' 0 C--N 1.378 1.83 0 CA-C-N 113.434 -1.712 . . . . 0.0 113.33 -165.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.524 ' HZ1' ' C ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -104.02 126.98 51.55 Favored 'General case' 0 C--N 1.385 2.133 0 CA-C-O 123.707 1.718 . . . . 0.0 106.997 178.286 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.522 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 7.1 t30 -117.82 129.74 55.85 Favored 'General case' 0 CA--C 1.579 2.094 0 N-CA-C 104.443 -2.429 . . . . 0.0 104.443 -175.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.3 pp -137.96 14.38 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.403 2.903 0 N-CA-C 116.853 2.168 . . . . 0.0 116.853 -148.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.522 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -126.34 -104.89 0.34 Allowed 'General case' 0 CA--C 1.585 2.313 1 C-N-CA 132.729 4.412 . . . . 0.0 105.222 -168.898 . . . . . . . . 4 4 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.9 t 73.81 163.46 0.27 Allowed 'General case' 0 C--N 1.394 2.502 0 O-C-N 120.903 -1.123 . . . . 0.0 113.043 176.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -69.41 -46.38 66.96 Favored 'General case' 0 C--N 1.395 2.549 0 O-C-N 121.517 -0.74 . . . . 0.0 110.031 178.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -67.04 -5.0 11.26 Favored 'General case' 0 CA--C 1.578 2.053 0 C-N-CA 126.075 1.75 . . . . 0.0 112.161 176.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 65.52 74.85 0.37 Allowed 'General case' 0 C--N 1.398 2.703 0 CA-C-N 122.74 2.518 . . . . 0.0 106.643 174.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.1 tp -162.26 166.87 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.395 2.557 0 C-N-CA 118.524 -1.27 . . . . 0.0 114.313 -171.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -100.85 99.2 7.95 Favored 'Isoleucine or valine' 0 C--N 1.387 2.229 0 N-CA-C 104.973 -2.232 . . . . 0.0 104.973 176.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.47 136.79 16.65 Favored 'General case' 0 C--N 1.387 2.22 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 177.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.93 -171.73 0.67 Allowed 'General case' 0 C--N 1.4 2.784 0 C-N-CA 116.468 -2.093 . . . . 0.0 112.718 -148.169 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -172.66 -157.94 15.7 Favored Glycine 0 C--N 1.393 3.736 0 C-N-CA 113.908 -3.996 . . . . 0.0 117.978 -170.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.2 p -114.12 115.17 27.11 Favored 'General case' 0 C--N 1.387 2.202 0 CA-C-O 123.502 1.62 . . . . 0.0 110.225 -173.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.0 -81.11 0.05 OUTLIER Glycine 0 C--N 1.386 3.341 1 N-CA-C 101.056 -4.818 . . . . 0.0 101.056 177.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.419 ' SG ' ' N ' ' A' ' 40' ' ' PHE 2.362 42.7 t 73.14 -155.49 0.07 Allowed 'General case' 0 C--N 1.392 2.423 0 CA-C-O 123.721 1.724 . . . . 0.0 114.542 168.088 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.419 ' N ' ' SG ' ' A' ' 39' ' ' CYS 0.288 37.5 m-85 . . . . . 0 C--N 1.38 1.922 0 CA-C-N 112.35 -2.205 . . . . 0.0 109.605 179.343 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 2.243 0 CA-C-O 121.765 0.647 . . . . 0.0 112.184 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -65.16 169.43 12.18 Favored 'Trans proline' 0 C--N 1.386 2.521 0 CA-C-O 123.277 1.282 . . . . 0.0 109.451 167.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.12 109.62 16.59 Favored 'General case' 0 CA--C 1.58 2.099 0 N-CA-C 101.562 -3.495 . . . . 0.0 101.562 177.172 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 44.7 t -116.94 118.23 31.87 Favored 'General case' 0 C--N 1.395 2.545 0 CA-C-O 123.792 1.758 . . . . 0.0 110.489 -168.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 33.7 t -111.49 176.07 5.17 Favored 'General case' 0 C--N 1.383 2.023 0 C-N-CA 124.866 1.267 . . . . 0.0 113.296 179.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -149.8 63.49 0.99 Allowed 'General case' 0 C--N 1.386 2.187 0 CA-C-O 122.299 1.047 . . . . 0.0 108.998 -172.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.0 m -151.25 166.84 29.69 Favored 'General case' 0 C--N 1.382 2.0 0 C-N-CA 124.717 1.207 . . . . 0.0 109.0 176.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.509 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 25.3 t0 -64.14 120.14 11.52 Favored 'General case' 0 C--N 1.394 2.529 0 N-CA-C 106.458 -1.682 . . . . 0.0 106.458 -178.429 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.509 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.299 3.7 mptt 74.19 -65.84 0.33 Allowed 'General case' 0 C--N 1.399 2.739 0 C-N-CA 127.139 2.176 . . . . 0.0 109.331 -176.181 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 47.7 t 58.21 65.45 1.28 Allowed 'General case' 0 C--N 1.376 1.76 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -175.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 12.0 t30 63.66 81.16 0.21 Allowed 'General case' 0 C--N 1.387 2.2 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 173.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.524 ' C ' ' HZ1' ' A' ' 24' ' ' LYS . 82.5 mt . . . . . 0 CA--C 1.595 2.701 0 CA-C-O 116.216 -1.85 . . . . 0.0 108.356 176.848 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.431 HH21 ' CG ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 1 N--CA 1.542 4.142 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 . . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.6 mp -90.48 120.9 40.14 Favored 'Isoleucine or valine' 0 C--N 1.39 2.347 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 177.468 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 m -135.15 150.88 50.25 Favored 'General case' 0 C--N 1.388 2.248 0 N-CA-C 107.005 -1.479 . . . . 0.0 107.005 169.546 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -74.67 166.45 23.56 Favored 'General case' 0 C--N 1.384 2.1 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 -172.229 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -160.21 63.6 0.34 Allowed 'General case' 0 C--N 1.387 2.236 0 N-CA-C 103.212 -2.884 . . . . 0.0 103.212 170.693 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.223 17.9 m170 -110.68 -162.59 0.8 Allowed 'General case' 0 C--N 1.386 2.196 0 C-N-CA 127.054 2.142 . . . . 0.0 111.479 177.861 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.512 ' H ' ' HA ' ' A' ' 11' ' ' PRO . 24.8 mt 68.77 -174.21 0.19 Allowed 'General case' 0 C--N 1.38 1.902 0 C-N-CA 126.554 1.942 . . . . 0.0 114.598 175.668 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.76 -82.89 1.61 Allowed Glycine 0 C--N 1.383 3.194 0 N-CA-C 108.207 -1.957 . . . . 0.0 108.207 -179.283 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 85.3 m -117.73 -38.66 3.24 Favored 'General case' 0 C--N 1.378 1.817 0 C-N-CA 124.892 1.277 . . . . 0.0 110.438 -178.155 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -124.94 126.09 25.31 Favored Pre-proline 0 C--N 1.385 2.122 0 CA-C-O 118.034 -0.984 . . . . 0.0 108.908 -177.196 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.512 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 95.4 Cg_exo -87.64 -11.78 4.74 Favored 'Trans proline' 0 C--N 1.407 3.658 0 N-CA-C 121.476 3.606 . . . . 0.0 121.476 179.475 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -88.11 -19.17 2.09 Favored 'Trans proline' 0 C--N 1.4 3.261 1 N-CA-C 126.821 5.662 . . . . 0.0 126.821 -173.446 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 80.0 p -73.77 136.18 43.6 Favored 'General case' 0 C--N 1.395 2.558 0 CA-C-N 124.836 3.471 . . . . 0.0 112.278 -173.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 51.1 p -131.75 137.07 48.05 Favored 'General case' 0 C--N 1.376 1.757 0 CA-C-N 112.78 -2.009 . . . . 0.0 105.58 177.467 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -118.38 114.1 22.41 Favored 'General case' 0 C--N 1.384 2.081 0 CA-C-O 122.659 1.219 . . . . 0.0 110.705 -161.627 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.7 m -82.98 114.61 21.37 Favored 'General case' 0 C--N 1.387 2.236 0 N-CA-C 104.619 -2.363 . . . . 0.0 104.619 175.392 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 t -119.9 148.89 42.95 Favored 'General case' 0 C--N 1.39 2.331 0 O-C-N 120.962 -1.086 . . . . 0.0 112.245 -173.562 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.403 ' H ' ' CD ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -96.23 -14.78 22.44 Favored 'General case' 0 C--N 1.383 2.034 0 C-N-CA 125.707 1.603 . . . . 0.0 111.812 177.526 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -78.58 130.09 35.55 Favored 'General case' 0 C--N 1.394 2.521 0 N-CA-C 104.386 -2.45 . . . . 0.0 104.386 170.179 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.431 ' CG ' HH21 ' A' ' 1' ' ' ARG 2.11 31.6 m-20 -68.4 11.18 0.18 Allowed 'General case' 0 C--N 1.385 2.132 0 C-N-CA 127.734 2.414 . . . . 0.0 117.494 -169.095 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.1 m -153.81 152.07 30.27 Favored 'General case' 0 C--N 1.381 1.973 0 CA-C-N 121.487 1.948 . . . . 0.0 109.15 -177.334 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.0 p -140.62 160.51 39.86 Favored 'General case' 0 C--N 1.38 1.91 0 CA-C-N 114.059 -1.428 . . . . 0.0 112.085 -177.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -123.52 149.14 45.56 Favored 'General case' 0 C--N 1.376 1.733 0 CA-C-N 113.904 -1.498 . . . . 0.0 113.19 -166.747 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.532 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 0.7 OUTLIER -113.44 111.34 21.79 Favored 'General case' 0 C--N 1.386 2.194 0 N-CA-C 104.669 -2.345 . . . . 0.0 104.669 178.217 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.434 ' H ' ' HB3' ' A' ' 35' ' ' ARG . 1.1 t30 -116.46 118.19 32.0 Favored 'General case' 0 CA--C 1.585 2.312 0 N-CA-C 102.633 -3.099 . . . . 0.0 102.633 -177.494 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.71 -24.32 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.401 2.818 0 N-CA-C 117.687 2.477 . . . . 0.0 117.687 -152.858 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.597 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -61.54 -101.52 0.0 OUTLIER 'General case' 0 CA--C 1.587 2.391 0 C-N-CA 130.743 3.617 . . . . 0.0 107.474 166.307 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.7 t 73.78 153.99 0.15 Allowed 'General case' 0 C--N 1.394 2.531 0 CA-C-O 123.227 1.489 . . . . 0.0 109.765 -176.242 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -68.13 -32.54 72.89 Favored 'General case' 0 C--N 1.382 2.003 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.794 179.785 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 51.7 p30 -82.66 0.77 41.65 Favored 'General case' 0 CA--C 1.581 2.145 0 C-N-CA 126.343 1.857 . . . . 0.0 112.846 177.724 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 66.85 69.17 0.41 Allowed 'General case' 0 C--N 1.397 2.666 0 CA-C-N 122.164 2.256 . . . . 0.0 106.951 174.121 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 tp -162.39 162.68 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.395 2.561 0 C-N-CA 118.342 -1.343 . . . . 0.0 114.086 -172.415 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.3 mt -94.75 98.14 7.69 Favored 'Isoleucine or valine' 0 C--N 1.388 2.255 0 N-CA-C 105.807 -1.923 . . . . 0.0 105.807 176.898 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.15 115.03 9.09 Favored 'General case' 0 C--N 1.383 2.048 0 N-CA-C 103.347 -2.834 . . . . 0.0 103.347 -177.263 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.482 HH21 ' C ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -159.15 -167.42 2.07 Favored 'General case' 0 C--N 1.385 2.137 0 CA-C-N 113.275 -1.784 . . . . 0.0 111.905 -158.659 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 178.59 -164.14 32.46 Favored Glycine 0 C--N 1.39 3.533 1 C-N-CA 113.057 -4.402 . . . . 0.0 119.236 -172.132 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 40.0 t -86.75 112.32 21.57 Favored 'General case' 0 C--N 1.387 2.212 0 CA-C-N 114.118 -1.041 . . . . 0.0 109.029 -176.804 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.23 -82.04 0.05 OUTLIER Glycine 0 C--N 1.393 3.719 0 N-CA-C 105.352 -3.099 . . . . 0.0 105.352 173.322 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.374 17.6 t 64.37 -153.74 0.3 Allowed 'General case' 0 C--N 1.39 2.353 0 C-N-CA 119.115 -1.034 . . . . 0.0 111.061 -177.066 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 . . . . . 0 C--N 1.385 2.132 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 174.098 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 2.333 0 CA-C-O 121.682 0.601 . . . . 0.0 112.835 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -61.2 156.23 46.57 Favored 'Trans proline' 0 C--N 1.39 2.723 0 N-CA-C 107.903 -1.614 . . . . 0.0 107.903 169.732 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -74.39 147.66 41.92 Favored 'General case' 0 C--N 1.392 2.422 0 C-N-CA 117.418 -1.713 . . . . 0.0 110.076 -178.808 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.6 m -118.02 155.4 30.38 Favored 'General case' 0 C--N 1.389 2.286 0 CA-C-O 124.3 2.0 . . . . 0.0 115.258 -171.745 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 45.3 t -134.97 167.91 20.06 Favored 'General case' 0 C--N 1.375 1.7 0 CA-C-N 111.287 -2.688 . . . . 0.0 111.052 -178.202 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -146.99 46.37 1.17 Allowed 'General case' 0 C--N 1.379 1.858 0 CA-C-N 115.619 -0.718 . . . . 0.0 109.629 -179.191 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.5 p -137.3 174.11 10.95 Favored 'General case' 0 C--N 1.386 2.16 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 -175.608 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.481 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 26.2 t0 -73.82 129.37 37.77 Favored 'General case' 0 C--N 1.394 2.529 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 173.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.481 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 41.3 mmtm 73.4 -53.73 0.69 Allowed 'General case' 0 C--N 1.387 2.203 0 C-N-CA 128.09 2.556 . . . . 0.0 113.279 175.432 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 78.2 m 74.52 39.01 0.47 Allowed 'General case' 0 C--N 1.38 1.922 0 C-N-CA 125.826 1.65 . . . . 0.0 110.643 -177.508 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.298 0.2 OUTLIER 56.27 70.51 0.64 Allowed 'General case' 0 C--N 1.391 2.386 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 170.167 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.532 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 14.9 tp . . . . . 0 C--N 1.389 2.308 0 C-N-CA 126.766 2.026 . . . . 0.0 106.307 173.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.497 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.534 3.761 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 . . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.8 mp -96.26 130.22 45.23 Favored 'Isoleucine or valine' 0 C--N 1.391 2.389 0 CA-C-O 122.106 0.955 . . . . 0.0 110.742 -175.437 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.9 m -140.99 155.19 46.26 Favored 'General case' 0 C--N 1.389 2.316 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 166.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -95.21 152.34 18.45 Favored 'General case' 0 C--N 1.386 2.173 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -165.832 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.0 p-10 -136.8 32.26 2.72 Favored 'General case' 0 C--N 1.392 2.428 0 C-N-CA 118.987 -1.085 . . . . 0.0 111.777 -174.77 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.212 5.5 m170 -81.25 -145.27 0.05 Allowed 'General case' 0 C--N 1.383 2.042 0 CA-C-O 122.513 1.149 . . . . 0.0 111.24 -173.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.54 ' H ' ' HA ' ' A' ' 11' ' ' PRO . 92.2 mt 62.48 -179.2 0.14 Allowed 'General case' 0 C--N 1.384 2.077 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 172.629 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 46.24 61.3 4.12 Favored Glycine 0 C--N 1.39 3.549 0 CA-C-O 116.71 -2.161 . . . . 0.0 112.117 175.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.2 m 115.83 -41.16 0.01 OUTLIER 'General case' 0 C--N 1.394 2.518 0 C-N-CA 128.984 2.914 . . . . 0.0 110.51 175.739 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -140.57 110.22 6.79 Favored Pre-proline 0 CA--C 1.581 2.157 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -176.362 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.54 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 88.8 Cg_exo -79.52 -6.48 14.55 Favored 'Trans proline' 0 CA--C 1.593 3.454 1 N-CA-C 124.051 4.597 . . . . 0.0 124.051 -177.003 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -92.71 -23.07 0.35 Allowed 'Trans proline' 0 C--N 1.398 3.183 1 N-CA-C 125.353 5.097 . . . . 0.0 125.353 -171.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.2 p -84.56 161.61 20.13 Favored 'General case' 0 C--N 1.393 2.464 0 CA-C-N 123.409 2.822 . . . . 0.0 118.22 -170.374 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 35.3 p -139.41 154.62 47.84 Favored 'General case' 0 C--N 1.377 1.798 0 CA-C-N 110.444 -3.071 . . . . 0.0 109.954 -172.65 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -121.07 96.87 5.27 Favored 'General case' 0 C--N 1.383 2.05 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 -171.221 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.1 t -78.83 116.35 19.11 Favored 'General case' 0 C--N 1.393 2.476 0 N-CA-C 103.269 -2.863 . . . . 0.0 103.269 170.499 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.6 t -140.67 148.46 40.87 Favored 'General case' 0 C--N 1.394 2.506 0 CA-C-O 123.566 1.65 . . . . 0.0 113.365 -164.238 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -95.41 22.01 7.45 Favored 'General case' 0 C--N 1.381 1.948 0 CA-C-N 112.494 -2.139 . . . . 0.0 112.879 -176.57 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -104.02 121.78 43.88 Favored 'General case' 0 C--N 1.383 2.024 0 N-CA-C 102.518 -3.142 . . . . 0.0 102.518 170.471 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.497 ' OD2' ' N ' ' A' ' 1' ' ' ARG 2.17 58.5 m-20 -63.89 2.89 0.44 Allowed 'General case' 0 C--N 1.388 2.271 0 C-N-CA 126.404 1.882 . . . . 0.0 115.577 -172.98 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.2 p -152.55 159.0 43.31 Favored 'General case' 0 C--N 1.383 2.025 0 CA-C-N 120.317 1.417 . . . . 0.0 108.609 179.249 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.5 p -139.87 163.21 33.24 Favored 'General case' 0 C--N 1.376 1.722 0 CA-C-N 114.527 -1.215 . . . . 0.0 111.358 178.717 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -120.02 155.84 32.08 Favored 'General case' 0 C--N 1.374 1.654 0 CA-C-O 122.692 1.234 . . . . 0.0 113.555 -171.772 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.456 ' HZ1' ' C ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -108.25 112.62 25.2 Favored 'General case' 0 CA--C 1.581 2.165 0 N-CA-C 103.42 -2.808 . . . . 0.0 103.42 174.504 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.511 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 4.2 t30 -117.06 120.26 37.82 Favored 'General case' 0 CA--C 1.584 2.25 0 N-CA-C 103.027 -2.953 . . . . 0.0 103.027 179.358 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -132.91 -27.98 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.402 2.884 0 N-CA-C 118.506 2.78 . . . . 0.0 118.506 -153.847 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.569 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -66.1 -110.2 0.0 OUTLIER 'General case' 0 CA--C 1.585 2.292 1 C-N-CA 133.242 4.617 . . . . 0.0 108.229 176.321 . . . . . . . . 4 4 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 t 79.34 157.39 0.16 Allowed 'General case' 0 C--N 1.395 2.572 0 C-N-CA 124.755 1.222 . . . . 0.0 112.325 179.087 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -65.68 -52.97 47.32 Favored 'General case' 0 C--N 1.397 2.637 0 N-CA-C 106.616 -1.624 . . . . 0.0 106.616 172.699 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -78.42 87.07 4.44 Favored 'General case' 0 C--N 1.382 2.014 0 N-CA-C 103.664 -2.717 . . . . 0.0 103.664 173.754 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -52.28 112.6 0.83 Allowed 'General case' 0 C--N 1.397 2.638 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -168.578 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 tp -170.62 157.96 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.4 2.795 0 C-N-CA 118.536 -1.266 . . . . 0.0 112.874 -174.621 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.8 mp -98.95 99.89 9.44 Favored 'Isoleucine or valine' 0 C--N 1.388 2.274 0 N-CA-C 104.563 -2.384 . . . . 0.0 104.563 179.578 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.68 107.02 5.79 Favored 'General case' 0 C--N 1.38 1.915 0 N-CA-C 102.021 -3.326 . . . . 0.0 102.021 -174.894 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.254 0.0 OUTLIER -147.29 -165.17 2.18 Favored 'General case' 0 C--N 1.386 2.19 0 CA-C-N 113.977 -1.465 . . . . 0.0 113.476 -158.763 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 174.29 -175.98 46.66 Favored Glycine 0 C--N 1.395 3.809 1 C-N-CA 113.078 -4.392 . . . . 0.0 119.859 -169.726 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.6 p -85.9 118.02 25.12 Favored 'General case' 0 C--N 1.393 2.458 0 CA-C-O 123.311 1.529 . . . . 0.0 109.727 -178.64 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.5 -94.61 0.1 OUTLIER Glycine 0 C--N 1.391 3.613 0 N-CA-C 104.081 -3.608 . . . . 0.0 104.081 175.448 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.345 51.1 t 71.52 -158.37 0.12 Allowed 'General case' 0 C--N 1.386 2.181 0 CA-C-O 122.007 0.908 . . . . 0.0 112.421 179.003 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 . . . . . 0 CA--C 1.58 2.13 0 CA-C-N 114.959 -1.018 . . . . 0.0 108.417 177.082 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.567 3.339 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -71.74 165.23 33.18 Favored 'Trans proline' 0 C--N 1.39 2.754 0 N-CA-C 108.273 -1.472 . . . . 0.0 108.273 168.782 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.4 ' CE2' ' HB3' ' A' ' 24' ' ' LYS . 6.5 p90 -96.39 145.1 25.93 Favored 'General case' 0 C--N 1.383 2.028 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.378 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.2 m -119.56 157.94 27.35 Favored 'General case' 0 C--N 1.391 2.405 0 N-CA-C 116.733 2.123 . . . . 0.0 116.733 -165.72 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.4 t -134.86 160.43 38.27 Favored 'General case' 0 C--N 1.382 1.99 0 CA-C-N 113.295 -1.775 . . . . 0.0 110.251 177.221 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -134.95 53.89 1.97 Allowed 'General case' 0 C--N 1.386 2.161 0 CA-C-O 122.512 1.148 . . . . 0.0 110.536 -172.761 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.0 t -151.32 169.92 20.78 Favored 'General case' 0 C--N 1.377 1.788 0 C-N-CA 126.618 1.967 . . . . 0.0 107.633 174.108 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.538 ' CG ' ' NZ ' ' A' ' 56' ' ' LYS . 35.3 p-10 -69.37 140.15 54.21 Favored 'General case' 0 C--N 1.388 2.25 0 C-N-CA 117.302 -1.759 . . . . 0.0 108.468 172.734 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.538 ' NZ ' ' CG ' ' A' ' 55' ' ' ASP . 1.0 OUTLIER 70.71 -80.35 0.04 OUTLIER 'General case' 0 C--N 1.391 2.372 0 C-N-CA 125.384 1.474 . . . . 0.0 111.173 177.244 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.26 56.9 m 68.03 70.88 0.32 Allowed 'General case' 0 C--N 1.384 2.071 0 N-CA-C 102.731 -3.063 . . . . 0.0 102.731 -165.62 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.25 29.3 t30 81.18 -62.76 0.19 Allowed 'General case' 0 C--N 1.39 2.342 0 C-N-CA 129.813 3.245 . . . . 0.0 108.797 -178.64 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.456 ' C ' ' HZ1' ' A' ' 24' ' ' LYS . 2.5 pt? . . . . . 0 CA--C 1.58 2.134 0 N-CA-C 103.888 -2.634 . . . . 0.0 103.888 175.91 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.491 ' H3 ' ' CG ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 1 N--CA 1.546 4.367 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 . . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.4 mp -93.14 124.26 45.51 Favored 'Isoleucine or valine' 0 C--N 1.395 2.561 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 178.064 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -142.38 178.96 7.23 Favored 'General case' 0 C--N 1.385 2.126 0 O-C-N 121.34 -0.85 . . . . 0.0 109.75 173.212 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -107.31 160.59 15.5 Favored 'General case' 0 C--N 1.382 1.985 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -172.547 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 45.0 p-10 -158.74 36.05 0.22 Allowed 'General case' 0 C--N 1.392 2.42 0 C-N-CA 118.966 -1.094 . . . . 0.0 109.797 -179.678 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.2 6.7 m170 -77.26 -159.62 0.14 Allowed 'General case' 0 C--N 1.384 2.097 0 C-N-CA 125.061 1.344 . . . . 0.0 112.848 -176.888 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.416 ' H ' ' HA ' ' A' ' 11' ' ' PRO 0.342 84.7 mt 69.04 -176.33 0.2 Allowed 'General case' 0 C--N 1.384 2.066 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 172.05 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.51 -97.36 1.82 Allowed Glycine 0 C--N 1.384 3.242 0 N-CA-C 106.382 -2.687 . . . . 0.0 106.382 -167.236 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.0 m -103.32 -43.0 5.56 Favored 'General case' 0 C--N 1.383 2.022 0 C-N-CA 124.412 1.085 . . . . 0.0 111.227 -178.121 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -117.33 121.18 32.54 Favored Pre-proline 0 C--N 1.385 2.139 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -174.78 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.416 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 91.1 Cg_exo -81.78 -19.86 6.99 Favored 'Trans proline' 0 CA--C 1.59 3.318 0 N-CA-C 119.377 2.799 . . . . 0.0 119.377 -179.868 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.6 OUTLIER -79.27 -15.34 12.77 Favored 'Trans proline' 0 C--N 1.4 3.246 1 N-CA-C 127.877 6.068 . . . . 0.0 127.877 -174.568 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.7 p -82.28 137.01 34.95 Favored 'General case' 0 C--N 1.397 2.644 1 CA-C-N 126.503 4.229 . . . . 0.0 114.707 -172.436 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 58.8 p -142.44 141.32 32.18 Favored 'General case' 0 C--N 1.376 1.757 0 C-N-CA 129.188 2.995 . . . . 0.0 105.357 178.649 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -168.55 153.41 6.21 Favored 'General case' 0 C--N 1.387 2.208 0 C-N-CA 115.021 -2.672 . . . . 0.0 114.21 -165.895 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.1 t -73.23 132.25 42.95 Favored 'General case' 0 C--N 1.386 2.164 0 CA-C-N 113.548 -1.66 . . . . 0.0 108.032 175.895 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.6 t -127.84 150.34 49.89 Favored 'General case' 0 C--N 1.381 1.936 0 CA-C-O 123.828 1.775 . . . . 0.0 110.41 179.761 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -90.36 -18.76 24.93 Favored 'General case' 0 C--N 1.376 1.757 0 CA-C-N 111.906 -2.406 . . . . 0.0 112.046 -174.105 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -76.01 124.59 27.63 Favored 'General case' 0 C--N 1.394 2.518 0 N-CA-C 105.323 -2.102 . . . . 0.0 105.323 172.805 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.491 ' CG ' ' H3 ' ' A' ' 1' ' ' ARG 2.109 37.2 m-20 -66.23 4.73 0.65 Allowed 'General case' 0 CA--C 1.581 2.166 0 C-N-CA 127.824 2.449 . . . . 0.0 116.443 -172.027 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.0 t -140.91 139.82 34.4 Favored 'General case' 0 C--N 1.382 1.984 0 CA-C-N 120.727 1.603 . . . . 0.0 107.705 -178.087 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.2 p -140.14 140.3 35.96 Favored 'General case' 0 C--N 1.388 2.272 0 CA-C-O 124.089 1.899 . . . . 0.0 110.585 179.683 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -127.51 155.2 44.12 Favored 'General case' 0 C--N 1.384 2.101 0 CA-C-N 113.313 -1.767 . . . . 0.0 115.449 -158.265 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.413 ' NZ ' ' O ' ' A' ' 58' ' ' ASN . 1.4 mptp? -98.02 107.26 19.7 Favored 'General case' 0 C--N 1.389 2.313 0 N-CA-C 106.082 -1.821 . . . . 0.0 106.082 -179.132 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.4 ' H ' ' CB ' ' A' ' 35' ' ' ARG . 2.0 t30 -117.58 117.48 29.52 Favored 'General case' 0 CA--C 1.58 2.128 0 N-CA-C 104.924 -2.251 . . . . 0.0 104.924 -177.686 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.06 -22.15 2.41 Favored 'Isoleucine or valine' 0 C--N 1.393 2.49 0 N-CA-C 115.856 1.798 . . . . 0.0 115.856 -154.636 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.53 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -84.75 -99.25 0.06 Allowed 'General case' 0 CA--C 1.578 2.054 1 C-N-CA 134.206 5.002 . . . . 0.0 107.865 179.496 . . . . . . . . 4 4 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.2 t 72.92 157.4 0.19 Allowed 'General case' 0 C--N 1.393 2.464 0 C-N-CA 124.903 1.281 . . . . 0.0 108.882 -174.101 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -60.21 -54.37 46.65 Favored 'General case' 0 C--N 1.387 2.234 0 N-CA-C 107.694 -1.225 . . . . 0.0 107.694 177.245 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -65.54 105.48 1.21 Allowed 'General case' 0 C--N 1.381 1.974 0 N-CA-C 103.813 -2.662 . . . . 0.0 103.813 168.406 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -63.09 110.9 1.97 Allowed 'General case' 0 C--N 1.403 2.923 0 O-C-N 120.199 -1.563 . . . . 0.0 106.971 -172.385 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.6 tp -173.3 151.93 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.396 2.623 0 CA-C-O 122.732 1.253 . . . . 0.0 110.158 -168.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 24.1 mt -85.41 115.79 27.61 Favored 'Isoleucine or valine' 0 C--N 1.386 2.175 0 N-CA-C 104.484 -2.413 . . . . 0.0 104.484 172.109 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.77 85.85 1.05 Allowed 'General case' 0 C--N 1.386 2.174 0 N-CA-C 102.147 -3.279 . . . . 0.0 102.147 -179.157 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.4 ' CB ' ' H ' ' A' ' 25' ' ' ASN 0.255 0.0 OUTLIER -110.81 -170.85 1.71 Allowed 'General case' 0 C--N 1.374 1.633 0 CA-C-N 110.715 -2.948 . . . . 0.0 114.081 -168.39 . . . . . . . . 4 4 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -179.76 -173.23 44.63 Favored Glycine 0 C--N 1.398 3.975 1 C-N-CA 111.881 -4.961 . . . . 0.0 119.283 -169.026 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.8 p -104.89 106.37 16.83 Favored 'General case' 0 C--N 1.383 2.048 0 CA-C-O 122.931 1.348 . . . . 0.0 108.337 -179.386 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.78 -87.87 0.07 OUTLIER Glycine 0 C--N 1.389 3.508 0 N-CA-C 104.373 -3.491 . . . . 0.0 104.373 177.283 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.367 36.0 t 68.01 -144.74 0.12 Allowed 'General case' 0 C--N 1.389 2.31 0 CA-C-O 122.174 0.988 . . . . 0.0 110.366 177.603 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 . . . . . 0 C--N 1.385 2.142 0 C-N-CA 124.758 1.223 . . . . 0.0 110.508 177.756 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.568 3.352 0 N-CA-C 104.935 -3.266 . . . . 0.0 104.935 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -54.47 164.33 3.05 Favored 'Trans proline' 0 C--N 1.388 2.649 0 C-N-CA 121.485 1.457 . . . . 0.0 110.936 173.819 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -81.04 126.4 31.38 Favored 'General case' 0 C--N 1.386 2.178 0 N-CA-C 104.157 -2.534 . . . . 0.0 104.157 177.338 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.2 m -113.72 141.11 47.66 Favored 'General case' 0 C--N 1.393 2.482 0 CA-C-O 122.812 1.292 . . . . 0.0 112.355 -165.045 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 19.4 t -112.9 168.57 9.58 Favored 'General case' 0 C--N 1.383 2.055 0 C-N-CA 124.61 1.164 . . . . 0.0 111.175 178.184 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -133.68 44.55 2.76 Favored 'General case' 0 C--N 1.384 2.078 0 CA-C-O 121.26 0.552 . . . . 0.0 110.775 178.46 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.4 t -142.5 172.57 12.51 Favored 'General case' 0 C--N 1.384 2.094 0 CA-C-O 121.047 0.451 . . . . 0.0 110.681 177.574 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.535 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 26.2 t70 -68.16 103.1 1.47 Allowed 'General case' 0 CA--C 1.587 2.402 0 N-CA-C 105.001 -2.222 . . . . 0.0 105.001 -177.342 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.535 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.276 7.5 mptt 72.54 -63.99 0.41 Allowed 'General case' 0 C--N 1.397 2.652 0 C-N-CA 127.933 2.493 . . . . 0.0 111.99 -179.894 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 31.5 p 53.91 57.67 5.79 Favored 'General case' 0 C--N 1.383 2.062 0 C-N-CA 127.508 2.323 . . . . 0.0 105.658 -173.406 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.413 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 7.0 m120 66.42 91.69 0.08 Allowed 'General case' 0 C--N 1.394 2.52 0 C-N-CA 125.649 1.58 . . . . 0.0 107.01 178.256 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 24.1 tp . . . . . 0 C--N 1.39 2.326 0 CA-C-O 115.453 -2.213 . . . . 0.0 105.626 175.413 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.3 tpp85 . . . . . 1 N--CA 1.541 4.104 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.0 mp -91.04 118.41 36.24 Favored 'Isoleucine or valine' 0 C--N 1.394 2.511 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 -178.187 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -140.49 149.04 42.0 Favored 'General case' 0 C--N 1.389 2.287 0 CA-C-O 122.879 1.323 . . . . 0.0 109.354 174.277 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -68.42 157.79 35.06 Favored 'General case' 0 C--N 1.383 2.048 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -170.261 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -135.16 36.25 3.02 Favored 'General case' 0 C--N 1.39 2.35 0 C-N-CA 119.434 -0.906 . . . . 0.0 108.837 170.25 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.232 22.4 m170 -77.27 -174.15 3.13 Favored 'General case' 0 C--N 1.393 2.486 0 N-CA-C 117.519 2.414 . . . . 0.0 117.519 -163.689 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.8 mt 68.43 -170.34 0.18 Allowed 'General case' 0 C--N 1.387 2.203 0 N-CA-C 114.928 1.455 . . . . 0.0 114.928 172.785 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.74 -52.38 4.2 Favored Glycine 0 C--N 1.387 3.384 0 CA-C-N 114.856 -1.066 . . . . 0.0 111.374 -176.526 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.5 m -160.95 -38.05 0.05 OUTLIER 'General case' 0 C--N 1.377 1.775 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 -175.374 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -117.77 116.18 36.62 Favored Pre-proline 0 CA--C 1.585 2.296 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 -179.245 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_exo -86.23 -11.26 6.36 Favored 'Trans proline' 0 C--N 1.406 3.556 0 N-CA-C 120.645 3.286 . . . . 0.0 120.645 178.739 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -85.74 -16.21 4.62 Favored 'Trans proline' 0 C--N 1.399 3.189 1 N-CA-C 126.052 5.366 . . . . 0.0 126.052 -174.025 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.4 p -94.54 155.57 16.85 Favored 'General case' 0 C--N 1.394 2.504 0 CA-C-N 125.321 3.691 . . . . 0.0 116.455 -173.355 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 73.7 p -132.16 150.73 52.08 Favored 'General case' 0 C--N 1.378 1.818 0 CA-C-N 112.035 -2.348 . . . . 0.0 108.963 178.754 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -98.81 102.54 14.31 Favored 'General case' 0 C--N 1.376 1.741 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 -174.764 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.5 m -73.01 103.51 3.81 Favored 'General case' 0 C--N 1.395 2.581 0 N-CA-C 100.982 -3.71 . . . . 0.0 100.982 169.037 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.1 t -121.33 150.66 41.11 Favored 'General case' 0 C--N 1.388 2.278 0 CA-C-O 124.194 1.95 . . . . 0.0 113.096 -166.721 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -82.34 -17.71 44.72 Favored 'General case' 0 C--N 1.376 1.741 0 CA-C-N 111.893 -2.412 . . . . 0.0 111.291 -179.514 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -71.3 133.89 46.38 Favored 'General case' 0 C--N 1.395 2.574 0 CA-C-N 121.229 1.831 . . . . 0.0 107.429 175.481 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.122 93.8 m-20 -56.14 -35.0 66.63 Favored 'General case' 0 C--N 1.383 2.031 0 C-N-CA 130.946 3.698 . . . . 0.0 114.644 -175.166 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.3 t -131.54 163.99 26.8 Favored 'General case' 0 C--N 1.379 1.863 0 C-N-CA 125.932 1.693 . . . . 0.0 110.509 -174.57 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.6 p -147.81 150.44 34.2 Favored 'General case' 0 C--N 1.395 2.58 0 CA-C-O 123.824 1.773 . . . . 0.0 115.687 -178.594 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -112.29 157.18 21.26 Favored 'General case' 0 C--N 1.388 2.279 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 -164.922 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.578 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 59.7 mmtt -105.66 112.93 26.2 Favored 'General case' 0 C--N 1.384 2.098 0 C-N-CA 126.639 1.976 . . . . 0.0 107.569 178.692 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.447 ' H ' ' HB3' ' A' ' 35' ' ' ARG . 0.8 OUTLIER -115.81 118.81 34.06 Favored 'General case' 0 CA--C 1.583 2.244 0 N-CA-C 102.733 -3.062 . . . . 0.0 102.733 176.988 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.23 1.28 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.398 2.694 0 N-CA-C 117.179 2.289 . . . . 0.0 117.179 -156.131 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.47 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -104.69 -99.47 0.32 Allowed 'General case' 0 CA--C 1.58 2.12 1 C-N-CA 133.766 4.827 . . . . 0.0 106.62 -175.428 . . . . . . . . 4 4 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.429 HG23 HD22 ' A' ' 25' ' ' ASN 0.283 1.1 t 70.61 -179.48 0.23 Allowed 'General case' 0 C--N 1.39 2.335 0 C-N-CA 125.583 1.553 . . . . 0.0 112.116 -179.453 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -72.1 -62.76 1.31 Allowed 'General case' 0 C--N 1.388 2.273 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 174.479 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.44 ' CG ' HH21 ' A' ' 34' ' ' ARG . 3.6 p-10 -64.7 110.69 2.46 Favored 'General case' 0 C--N 1.38 1.925 0 N-CA-C 102.728 -3.064 . . . . 0.0 102.728 170.649 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -68.74 102.47 1.53 Allowed 'General case' 0 C--N 1.396 2.628 0 N-CA-C 105.773 -1.936 . . . . 0.0 105.773 -168.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 tp -171.87 159.87 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.4 2.794 0 C-N-CA 116.078 -2.249 . . . . 0.0 112.95 -162.618 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.1 mt -97.67 118.33 43.97 Favored 'Isoleucine or valine' 0 C--N 1.39 2.339 0 N-CA-C 106.303 -1.739 . . . . 0.0 106.303 176.115 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.463 ' CG ' HH11 ' A' ' 34' ' ' ARG . 0.6 OUTLIER -159.64 84.94 0.76 Allowed 'General case' 0 C--N 1.384 2.08 0 N-CA-C 103.068 -2.938 . . . . 0.0 103.068 -172.971 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.447 ' HB3' ' H ' ' A' ' 25' ' ' ASN 0.25 0.0 OUTLIER -114.09 -165.71 1.03 Allowed 'General case' 0 C--N 1.374 1.642 0 CA-C-N 111.521 -2.581 . . . . 0.0 113.528 -166.406 . . . . . . . . 4 4 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -179.52 -177.36 47.76 Favored Glycine 0 C--N 1.39 3.576 0 C-N-CA 114.255 -3.831 . . . . 0.0 117.875 -178.94 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.1 p -73.16 126.51 30.21 Favored 'General case' 0 C--N 1.388 2.244 0 CA-C-O 122.874 1.321 . . . . 0.0 110.04 178.602 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.82 -82.2 0.05 OUTLIER Glycine 0 C--N 1.393 3.714 0 N-CA-C 105.867 -2.893 . . . . 0.0 105.867 173.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.286 53.9 t 89.08 -81.41 0.01 OUTLIER 'General case' 0 C--N 1.391 2.382 0 CA-C-O 123.408 1.575 . . . . 0.0 109.119 179.82 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.571 1.759 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 -172.313 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.563 3.074 0 CA-C-O 121.597 0.554 . . . . 0.0 112.899 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -82.07 171.2 13.02 Favored 'Trans proline' 0 C--N 1.384 2.425 0 C-N-CA 123.87 3.046 . . . . 0.0 110.941 176.211 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -101.41 155.81 17.83 Favored 'General case' 0 C--N 1.386 2.17 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.19 179.454 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 43.4 t -115.88 149.7 38.24 Favored 'General case' 0 C--N 1.394 2.518 0 N-CA-C 118.029 2.603 . . . . 0.0 118.029 -161.781 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.1 t -128.32 152.4 48.19 Favored 'General case' 0 C--N 1.384 2.088 0 C-N-CA 127.806 2.443 . . . . 0.0 107.7 168.613 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.6 68.31 1.24 Allowed 'General case' 0 C--N 1.376 1.736 0 N-CA-C 104.617 -2.364 . . . . 0.0 104.617 176.354 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.3 t -162.17 162.99 28.64 Favored 'General case' 0 C--N 1.38 1.907 0 C-N-CA 117.283 -1.767 . . . . 0.0 110.641 -176.486 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.503 ' OD1' ' NZ ' ' A' ' 56' ' ' LYS . 24.6 t0 -64.0 127.15 30.16 Favored 'General case' 0 CA--C 1.582 2.199 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 175.284 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.503 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 39.2 mmtm 78.71 -89.19 0.02 OUTLIER 'General case' 0 C--N 1.394 2.524 0 C-N-CA 125.211 1.404 . . . . 0.0 112.363 172.038 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.29 21.4 m 84.14 33.78 0.05 OUTLIER 'General case' 0 CA--C 1.597 2.757 0 C-N-CA 126.956 2.102 . . . . 0.0 112.34 -177.552 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 65.45 70.69 0.45 Allowed 'General case' 0 C--N 1.393 2.499 0 C-N-CA 125.71 1.604 . . . . 0.0 109.805 172.619 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.578 ' C ' ' NZ ' ' A' ' 24' ' ' LYS 0.256 0.9 OUTLIER . . . . . 0 CA--C 1.589 2.446 0 C-N-CA 126.844 2.057 . . . . 0.0 106.133 -179.244 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.459 ' H3 ' ' CG ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.534 3.759 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 . . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 69.2 mt -93.23 118.17 38.36 Favored 'Isoleucine or valine' 0 C--N 1.389 2.326 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 177.343 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.6 m -136.06 160.13 39.59 Favored 'General case' 0 C--N 1.381 1.959 0 CA-C-N 115.118 -0.947 . . . . 0.0 108.692 174.07 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -98.05 136.65 37.99 Favored 'General case' 0 C--N 1.389 2.3 0 C-N-CA 118.342 -1.343 . . . . 0.0 110.738 -169.499 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -123.3 51.92 1.43 Allowed 'General case' 0 C--N 1.391 2.377 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 173.756 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.145 3.6 m170 -86.69 -166.56 1.6 Allowed 'General case' 0 C--N 1.381 1.958 0 C-N-CA 126.968 2.107 . . . . 0.0 110.588 173.85 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.349 5.1 mp 75.43 -175.69 0.13 Allowed 'General case' 0 C--N 1.381 1.94 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 169.835 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.93 -41.65 2.5 Favored Glycine 0 C--N 1.387 3.401 0 N-CA-C 108.869 -1.692 . . . . 0.0 108.869 -162.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.2 m -175.98 -41.85 0.01 OUTLIER 'General case' 0 C--N 1.386 2.16 0 C-N-CA 125.844 1.658 . . . . 0.0 106.88 -175.858 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -111.36 109.75 56.21 Favored Pre-proline 0 CA--C 1.593 2.611 0 CA-C-O 117.632 -1.175 . . . . 0.0 109.609 -174.186 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -83.71 7.23 5.32 Favored 'Trans proline' 0 CA--C 1.604 3.981 0 N-CA-C 121.937 3.783 . . . . 0.0 121.937 179.388 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -85.85 -24.5 1.77 Allowed 'Trans proline' 0 C--N 1.404 3.454 1 N-CA-C 125.627 5.203 . . . . 0.0 125.627 -175.36 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.9 p -78.58 141.99 37.66 Favored 'General case' 0 C--N 1.397 2.648 0 CA-C-N 125.001 3.546 . . . . 0.0 113.186 -175.573 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 73.0 p -124.76 147.34 48.72 Favored 'General case' 0 C--N 1.378 1.814 0 CA-C-N 112.237 -2.256 . . . . 0.0 109.172 -177.229 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -118.76 99.61 6.88 Favored 'General case' 0 C--N 1.379 1.869 0 CA-C-N 113.74 -1.573 . . . . 0.0 107.653 -163.13 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 96.8 m -87.56 94.45 9.72 Favored 'General case' 0 C--N 1.387 2.239 0 N-CA-C 103.084 -2.932 . . . . 0.0 103.084 179.199 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.5 t -118.13 152.25 35.99 Favored 'General case' 0 C--N 1.39 2.362 0 CA-C-O 123.332 1.539 . . . . 0.0 113.429 -167.841 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -87.32 -20.57 26.6 Favored 'General case' 0 C--N 1.381 1.938 0 CA-C-N 112.259 -2.246 . . . . 0.0 112.819 -176.112 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -65.12 135.8 55.94 Favored 'General case' 0 C--N 1.397 2.652 0 N-CA-C 105.315 -2.105 . . . . 0.0 105.315 167.841 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.459 ' CG ' ' H3 ' ' A' ' 1' ' ' ARG 2.117 39.1 m-20 -80.01 5.2 14.7 Favored 'General case' 0 C--N 1.386 2.164 0 C-N-CA 127.043 2.137 . . . . 0.0 115.64 -173.452 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.0 t -143.76 130.42 20.2 Favored 'General case' 0 C--N 1.378 1.842 0 N-CA-C 104.244 -2.502 . . . . 0.0 104.244 -177.438 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -125.99 144.02 50.87 Favored 'General case' 0 C--N 1.378 1.806 0 CA-C-O 123.999 1.857 . . . . 0.0 108.317 174.219 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -116.58 165.96 12.65 Favored 'General case' 0 C--N 1.369 1.448 0 CA-C-N 113.298 -1.774 . . . . 0.0 113.145 -168.085 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.413 ' NZ ' ' O ' ' A' ' 58' ' ' ASN . 2.1 tppt? -100.79 115.43 30.3 Favored 'General case' 0 CA--C 1.581 2.157 0 N-CA-C 103.719 -2.697 . . . . 0.0 103.719 178.149 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.9 119.35 35.68 Favored 'General case' 0 C--N 1.382 1.996 0 N-CA-C 101.805 -3.406 . . . . 0.0 101.805 179.609 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.58 -24.3 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.396 2.617 0 N-CA-C 115.938 1.829 . . . . 0.0 115.938 -151.544 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.553 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -73.14 -110.78 0.01 OUTLIER 'General case' 0 CA--C 1.592 2.587 1 C-N-CA 133.027 4.531 . . . . 0.0 106.818 172.505 . . . . . . . . 4 4 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.5 t 75.19 151.59 0.12 Allowed 'General case' 0 C--N 1.397 2.635 0 C-N-CA 125.138 1.375 . . . . 0.0 109.541 -175.891 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -62.19 -54.72 36.95 Favored 'General case' 0 C--N 1.392 2.448 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 178.733 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -67.37 100.73 0.86 Allowed 'General case' 0 C--N 1.382 1.994 0 N-CA-C 102.648 -3.093 . . . . 0.0 102.648 168.381 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -63.15 115.86 4.87 Favored 'General case' 0 C--N 1.402 2.857 0 N-CA-C 106.055 -1.831 . . . . 0.0 106.055 -171.283 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 tp -168.2 155.93 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.394 2.51 0 CA-C-O 121.921 0.867 . . . . 0.0 110.086 -169.217 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 55.8 mt -95.67 111.92 26.99 Favored 'Isoleucine or valine' 0 C--N 1.388 2.265 0 N-CA-C 104.02 -2.585 . . . . 0.0 104.02 170.544 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.3 ttp85 -148.12 104.92 3.59 Favored 'General case' 0 C--N 1.381 1.95 0 N-CA-C 100.668 -3.827 . . . . 0.0 100.668 -177.824 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.35 -178.79 5.91 Favored 'General case' 0 C--N 1.387 2.216 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -157.949 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 174.21 -172.78 45.62 Favored Glycine 0 C--N 1.396 3.913 1 C-N-CA 112.462 -4.685 . . . . 0.0 119.177 -171.842 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.5 p -75.75 113.73 13.55 Favored 'General case' 0 C--N 1.385 2.118 0 CA-C-O 123.791 1.758 . . . . 0.0 109.648 -176.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.13 -113.53 0.28 Allowed Glycine 0 C--N 1.389 3.527 0 N-CA-C 104.358 -3.497 . . . . 0.0 104.358 172.205 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.45 3.2 p 66.43 -154.2 0.24 Allowed 'General case' 0 C--N 1.39 2.354 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 173.507 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 . . . . . 0 C--N 1.388 2.247 0 CA-C-N 113.544 -1.662 . . . . 0.0 106.841 -175.952 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.554 2.504 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_exo -54.93 167.46 1.59 Allowed 'Trans proline' 0 C--N 1.382 2.337 0 C-N-CA 122.371 2.047 . . . . 0.0 113.335 169.669 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -83.91 121.14 26.95 Favored 'General case' 0 CA--C 1.578 2.021 0 N-CA-C 102.638 -3.097 . . . . 0.0 102.638 177.125 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.6 m -109.57 134.61 51.72 Favored 'General case' 0 C--N 1.397 2.67 0 O-C-N 120.446 -1.409 . . . . 0.0 110.899 -166.276 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.9 t -126.06 158.57 35.08 Favored 'General case' 0 C--N 1.39 2.362 0 C-N-CA 123.814 0.846 . . . . 0.0 112.88 -172.92 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.18 40.5 3.66 Favored 'General case' 0 C--N 1.38 1.919 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -175.381 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 64.9 m -132.42 160.54 36.08 Favored 'General case' 0 C--N 1.383 2.031 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -173.506 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.501 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 19.8 t0 -70.18 132.66 46.12 Favored 'General case' 0 C--N 1.398 2.699 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 174.506 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.501 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.263 36.6 mmtm 73.91 -67.65 0.25 Allowed 'General case' 0 C--N 1.391 2.372 0 C-N-CA 126.432 1.893 . . . . 0.0 106.853 -177.563 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.284 48.6 t 79.61 58.36 0.02 OUTLIER 'General case' 0 C--N 1.376 1.738 0 C-N-CA 126.874 2.07 . . . . 0.0 107.392 178.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.413 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 7.1 m120 65.65 66.25 0.52 Allowed 'General case' 0 C--N 1.392 2.431 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 162.649 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.588 2.416 0 N-CA-C 103.717 -2.697 . . . . 0.0 103.717 -175.485 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.465 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 40.0 mtt85 . . . . . 0 N--CA 1.536 3.846 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -94.78 120.9 44.85 Favored 'Isoleucine or valine' 0 C--N 1.39 2.349 0 CA-C-O 122.451 1.12 . . . . 0.0 109.155 -172.396 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.7 m -141.31 143.36 34.01 Favored 'General case' 0 CA--C 1.595 2.702 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 176.156 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -93.12 150.22 20.67 Favored 'General case' 0 C--N 1.404 2.954 0 N-CA-C 116.351 1.982 . . . . 0.0 116.351 -160.331 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -118.55 20.87 12.84 Favored 'General case' 0 C--N 1.392 2.434 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 177.071 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.151 7.5 m170 -77.4 -153.83 0.06 Allowed 'General case' 0 C--N 1.382 1.995 0 C-N-CA 126.377 1.871 . . . . 0.0 110.721 -178.25 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.421 ' H ' ' HA ' ' A' ' 11' ' ' PRO 0.328 2.7 mp 67.81 -166.15 0.2 Allowed 'General case' 0 C--N 1.379 1.887 0 CA-C-O 122.091 0.948 . . . . 0.0 111.122 172.809 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.442 ' H ' HG12 ' A' ' 32' ' ' ILE . . . 89.37 -59.81 3.74 Favored Glycine 0 C--N 1.381 3.047 0 N-CA-C 105.549 -3.021 . . . . 0.0 105.549 -166.096 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 92.4 m -155.02 -38.03 0.09 Allowed 'General case' 0 C--N 1.381 1.965 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 170.652 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -100.68 110.19 59.82 Favored Pre-proline 0 CA--C 1.588 2.405 0 C-N-CA 124.425 1.09 . . . . 0.0 109.367 -172.626 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.421 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 61.2 Cg_endo -84.83 7.74 5.01 Favored 'Trans proline' 0 CA--C 1.595 3.552 0 N-CA-C 118.785 2.571 . . . . 0.0 118.785 179.726 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -78.74 -25.1 6.69 Favored 'Trans proline' 0 C--N 1.403 3.433 1 N-CA-C 124.681 4.839 . . . . 0.0 124.681 -175.409 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.7 p -97.0 139.03 33.63 Favored 'General case' 0 C--N 1.394 2.514 0 CA-C-N 124.893 3.497 . . . . 0.0 113.032 -175.424 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 72.4 p -125.33 146.33 49.62 Favored 'General case' 0 C--N 1.38 1.912 0 CA-C-N 113.612 -1.631 . . . . 0.0 109.837 -179.051 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -87.91 98.89 11.74 Favored 'General case' 0 C--N 1.386 2.177 0 N-CA-C 105.449 -2.056 . . . . 0.0 105.449 -176.689 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.6 m -78.6 101.95 7.7 Favored 'General case' 0 C--N 1.392 2.425 0 N-CA-C 101.657 -3.46 . . . . 0.0 101.657 172.739 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 12.2 t -127.02 150.02 49.63 Favored 'General case' 0 C--N 1.392 2.421 0 CA-C-O 123.887 1.803 . . . . 0.0 114.505 -166.056 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -89.34 -15.12 34.13 Favored 'General case' 0 C--N 1.38 1.928 0 CA-C-N 111.898 -2.41 . . . . 0.0 111.99 -179.547 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -70.31 114.78 8.78 Favored 'General case' 0 C--N 1.393 2.457 0 N-CA-C 103.757 -2.682 . . . . 0.0 103.757 175.034 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.465 ' OD2' ' N ' ' A' ' 1' ' ' ARG 2.188 50.0 m-20 -58.83 -6.37 0.76 Allowed 'General case' 0 C--N 1.386 2.176 0 C-N-CA 129.366 3.066 . . . . 0.0 116.251 -174.26 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.6 t -135.37 145.25 47.17 Favored 'General case' 0 C--N 1.378 1.807 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 176.295 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.5 p -132.04 160.03 37.09 Favored 'General case' 0 C--N 1.382 2.018 0 CA-C-O 122.282 1.039 . . . . 0.0 111.755 176.633 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -124.89 140.4 52.96 Favored 'General case' 0 C--N 1.376 1.736 0 CA-C-N 114.183 -1.371 . . . . 0.0 112.01 -167.694 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.515 ' NZ ' ' O ' ' A' ' 58' ' ' ASN . 8.1 mtmt -103.13 112.63 25.58 Favored 'General case' 0 C--N 1.388 2.246 0 N-CA-C 104.6 -2.37 . . . . 0.0 104.6 -177.639 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -114.31 114.69 26.27 Favored 'General case' 0 CA--C 1.576 1.96 0 N-CA-C 102.899 -3.0 . . . . 0.0 102.899 -175.881 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -122.32 -2.84 7.67 Favored 'Isoleucine or valine' 0 C--N 1.393 2.463 0 N-CA-C 116.01 1.856 . . . . 0.0 116.01 -154.685 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.509 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -100.88 -94.59 0.28 Allowed 'General case' 0 CA--C 1.578 2.033 1 C-N-CA 133.812 4.845 . . . . 0.0 104.13 -176.461 . . . . . . . . 4 4 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.255 14.5 t 74.72 -17.61 0.47 Allowed 'General case' 0 C--N 1.39 2.337 0 C-N-CA 125.818 1.647 . . . . 0.0 112.127 178.006 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . 0.318 97.6 m-85 88.88 -37.32 0.02 OUTLIER 'General case' 0 C--N 1.39 2.345 0 C-N-CA 127.941 2.496 . . . . 0.0 110.846 -178.234 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -73.47 -7.1 50.35 Favored 'General case' 0 CA--C 1.58 2.13 0 CA-C-N 119.491 1.041 . . . . 0.0 110.993 172.443 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.8 t30 75.13 78.32 0.11 Allowed 'General case' 0 C--N 1.394 2.537 0 C-N-CA 127.747 2.419 . . . . 0.0 106.32 177.791 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.442 HG12 ' H ' ' A' ' 8' ' ' GLY . 6.8 tp -164.49 159.35 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.395 2.551 0 C-N-CA 117.658 -1.617 . . . . 0.0 114.037 -177.257 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 83.6 mt -94.13 90.63 2.87 Favored 'Isoleucine or valine' 0 C--N 1.387 2.206 0 N-CA-C 103.802 -2.666 . . . . 0.0 103.802 170.416 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.1 103.14 6.11 Favored 'General case' 0 C--N 1.387 2.219 0 N-CA-C 101.423 -3.547 . . . . 0.0 101.423 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.61 -167.34 2.4 Favored 'General case' 0 C--N 1.387 2.204 0 CA-C-N 114.225 -1.352 . . . . 0.0 114.483 -160.353 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -175.32 -167.13 34.03 Favored Glycine 0 C--N 1.389 3.494 0 C-N-CA 114.64 -3.648 . . . . 0.0 116.261 -174.466 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.5 p -102.07 127.92 48.76 Favored 'General case' 0 C--N 1.382 2.011 0 CA-C-O 122.795 1.283 . . . . 0.0 112.736 -175.054 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.05 -89.51 0.07 OUTLIER Glycine 0 C--N 1.394 3.796 0 N-CA-C 106.102 -2.799 . . . . 0.0 106.102 174.009 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.33 42.0 t 80.28 -44.61 0.26 Allowed 'General case' 0 C--N 1.388 2.254 0 C-N-CA 124.033 0.933 . . . . 0.0 111.402 179.877 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--N 1.385 2.125 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -167.874 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 2.089 0 N-CA-C 103.761 -3.735 . . . . 0.0 103.761 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . 0.33 2.6 Cg_exo 43.75 -159.27 0.0 OUTLIER 'Trans proline' 1 C--N 1.443 5.524 0 O-C-N 123.973 1.512 . . . . 0.0 110.825 -165.93 . . . . . . . . 3 2 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -125.25 140.09 53.15 Favored 'General case' 0 CA--C 1.569 1.692 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 175.481 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.2 m -118.78 159.53 23.53 Favored 'General case' 0 C--N 1.395 2.555 0 N-CA-C 117.988 2.588 . . . . 0.0 117.988 -159.356 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.7 t -136.71 159.24 42.42 Favored 'General case' 0 C--N 1.38 1.912 0 CA-C-N 112.491 -2.141 . . . . 0.0 111.042 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -122.88 59.86 1.05 Allowed 'General case' 0 C--N 1.382 2.017 0 N-CA-C 105.704 -1.961 . . . . 0.0 105.704 171.813 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.6 m -162.11 170.08 19.78 Favored 'General case' 0 C--N 1.39 2.338 0 CA-C-O 122.016 0.912 . . . . 0.0 112.396 -175.459 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.455 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 24.5 t0 -80.02 126.94 31.69 Favored 'General case' 0 C--N 1.385 2.122 0 CA-C-N 114.477 -1.238 . . . . 0.0 108.199 -177.544 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.455 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 35.8 mmtm 76.66 -67.98 0.2 Allowed 'General case' 0 C--N 1.391 2.411 0 C-N-CA 125.852 1.661 . . . . 0.0 109.809 176.007 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 80.9 m 73.67 54.67 0.11 Allowed 'General case' 0 C--N 1.383 2.048 0 C-N-CA 126.056 1.742 . . . . 0.0 109.123 179.102 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.515 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 23.9 t-20 63.68 71.14 0.5 Allowed 'General case' 0 C--N 1.389 2.293 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 175.731 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.0 tp . . . . . 0 CA--C 1.584 2.262 0 N-CA-C 104.761 -2.311 . . . . 0.0 104.761 -177.669 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.429 ' H3 ' ' CG ' ' A' ' 20' ' ' ASP . 0.2 OUTLIER . . . . . 1 N--CA 1.546 4.348 0 N-CA-C 111.478 0.177 . . . . 0.0 111.478 . . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.1 mt -75.19 127.54 36.8 Favored 'Isoleucine or valine' 0 C--N 1.403 2.904 0 CA-C-O 122.536 1.16 . . . . 0.0 109.101 -174.026 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.3 m -136.66 174.16 10.92 Favored 'General case' 0 C--N 1.387 2.214 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.823 169.127 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -106.22 159.08 16.38 Favored 'General case' 0 C--N 1.38 1.895 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -175.881 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -153.89 57.53 0.73 Allowed 'General case' 0 C--N 1.387 2.227 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 176.188 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.211 20.9 m170 -98.31 -168.14 1.61 Allowed 'General case' 0 C--N 1.388 2.259 0 C-N-CA 125.849 1.66 . . . . 0.0 114.317 -179.362 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.9 mt 64.7 -172.42 0.18 Allowed 'General case' 0 C--N 1.383 2.063 0 C-N-CA 125.078 1.351 . . . . 0.0 114.579 176.888 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 64.9 46.29 89.89 Favored Glycine 0 C--N 1.386 3.354 0 CA-C-O 116.897 -2.057 . . . . 0.0 111.629 -179.682 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 45.9 m 109.75 -37.7 0.01 OUTLIER 'General case' 0 C--N 1.394 2.527 0 C-N-CA 129.963 3.305 . . . . 0.0 110.896 176.634 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.37 128.27 24.06 Favored Pre-proline 0 CA--C 1.588 2.432 0 C-N-CA 124.936 1.294 . . . . 0.0 109.897 -174.379 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -99.08 -3.63 0.79 Allowed 'Trans proline' 0 C--N 1.413 3.944 0 N-CA-C 122.021 3.816 . . . . 0.0 122.021 176.769 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -80.25 -14.92 11.71 Favored 'Trans proline' 0 C--N 1.396 3.071 1 N-CA-C 125.634 5.205 . . . . 0.0 125.634 -172.491 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.1 p -90.68 126.19 35.9 Favored 'General case' 0 C--N 1.386 2.158 0 CA-C-N 123.698 2.954 . . . . 0.0 114.668 -173.694 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 65.8 p -134.19 144.34 48.42 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 131.31 3.844 . . . . 0.0 104.53 171.008 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -158.69 135.89 9.91 Favored 'General case' 0 C--N 1.387 2.226 0 C-N-CA 115.28 -2.568 . . . . 0.0 114.307 -168.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.7 m -67.27 112.46 4.54 Favored 'General case' 0 C--N 1.395 2.551 0 N-CA-C 104.102 -2.555 . . . . 0.0 104.102 172.408 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 t -115.57 143.24 45.62 Favored 'General case' 0 C--N 1.392 2.422 0 CA-C-O 123.022 1.392 . . . . 0.0 109.762 -172.557 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -80.72 -28.3 36.65 Favored 'General case' 0 C--N 1.386 2.19 0 CA-C-N 114.379 -1.282 . . . . 0.0 112.725 -173.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -58.57 136.78 57.68 Favored 'General case' 0 C--N 1.394 2.527 0 CA-C-N 121.1 1.773 . . . . 0.0 106.957 175.927 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.429 ' CG ' ' H3 ' ' A' ' 1' ' ' ARG 2.18 65.5 m-20 -72.7 8.41 1.49 Allowed 'General case' 0 C--N 1.385 2.151 0 C-N-CA 129.015 2.926 . . . . 0.0 115.362 -176.834 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.3 m -161.7 151.24 16.39 Favored 'General case' 0 C--N 1.376 1.738 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 -178.316 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.4 p -149.21 153.1 37.12 Favored 'General case' 0 C--N 1.385 2.11 0 C-N-CA 117.192 -1.803 . . . . 0.0 112.894 -179.456 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -122.11 157.25 31.88 Favored 'General case' 0 C--N 1.38 1.902 0 CA-C-N 112.483 -2.144 . . . . 0.0 114.288 -162.511 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.54 ' HZ1' ' C ' ' A' ' 59' ' ' LEU . 56.3 mmtt -106.21 111.23 23.74 Favored 'General case' 0 C--N 1.38 1.903 0 N-CA-C 105.502 -2.036 . . . . 0.0 105.502 -171.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.482 ' HA ' ' HE1' ' A' ' 27' ' ' TRP . 0.2 OUTLIER -114.44 101.82 9.5 Favored 'General case' 0 C--N 1.379 1.848 1 N-CA-C 99.942 -4.096 . . . . 0.0 99.942 -175.772 . . . . . . . . 4 4 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.79 45.72 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.386 2.173 0 CA-C-O 123.698 1.713 . . . . 0.0 109.922 -165.269 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.482 ' HE1' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -173.22 -93.21 0.01 OUTLIER 'General case' 0 CA--C 1.585 2.29 0 CA-C-N 112.579 -2.101 . . . . 0.0 105.618 -164.399 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.3 12.1 t 83.26 -103.87 0.01 OUTLIER 'General case' 0 CA--C 1.592 2.564 0 N-CA-C 106.162 -1.792 . . . . 0.0 106.162 175.334 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -146.25 -24.31 0.44 Allowed 'General case' 0 C--N 1.387 2.238 0 O-C-N 121.076 -1.015 . . . . 0.0 108.424 173.761 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -87.34 -10.52 51.98 Favored 'General case' 0 C--N 1.382 2.011 0 C-N-CA 129.137 2.975 . . . . 0.0 113.227 177.335 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 74.29 64.39 0.08 Allowed 'General case' 0 C--N 1.391 2.375 0 N-CA-C 105.575 -2.009 . . . . 0.0 105.575 -179.846 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 tp -149.54 161.18 4.84 Favored 'Isoleucine or valine' 0 C--N 1.393 2.498 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -170.873 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -96.35 110.35 24.49 Favored 'Isoleucine or valine' 0 C--N 1.391 2.376 0 N-CA-C 104.75 -2.315 . . . . 0.0 104.75 175.058 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.51 90.01 0.92 Allowed 'General case' 0 C--N 1.389 2.288 0 N-CA-C 102.999 -2.963 . . . . 0.0 102.999 -175.407 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.31 -171.55 2.28 Favored 'General case' 0 C--N 1.376 1.758 0 CA-C-N 111.866 -2.424 . . . . 0.0 115.061 -159.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -174.5 -179.26 44.99 Favored Glycine 0 C--N 1.398 3.993 1 C-N-CA 112.824 -4.512 . . . . 0.0 120.099 -170.544 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.3 m -81.6 115.29 20.81 Favored 'General case' 0 C--N 1.386 2.18 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 -178.734 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -162.69 -97.51 0.12 Allowed Glycine 0 C--N 1.39 3.543 0 N-CA-C 105.113 -3.195 . . . . 0.0 105.113 178.573 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.359 9.7 t 84.27 -40.97 0.07 Allowed 'General case' 0 C--N 1.386 2.173 0 CA-C-O 121.586 0.708 . . . . 0.0 112.156 177.66 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 . . . . . 0 CA--C 1.584 2.263 0 N-CA-C 105.648 -1.982 . . . . 0.0 105.648 -170.513 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 2.177 0 CA-C-O 121.798 0.666 . . . . 0.0 114.281 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -50.52 159.6 2.06 Favored 'Trans proline' 0 C--N 1.387 2.604 0 C-N-CA 122.936 2.424 . . . . 0.0 113.882 168.559 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 23.0 p90 -87.78 151.05 23.18 Favored 'General case' 0 C--N 1.382 1.981 0 CA-C-N 114.582 -1.19 . . . . 0.0 109.319 178.157 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.5 p -155.83 168.09 28.32 Favored 'General case' 0 C--N 1.403 2.917 0 N-CA-C 120.28 3.437 . . . . 0.0 120.28 -165.672 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 16.1 t -141.59 -174.89 4.18 Favored 'General case' 0 C--N 1.385 2.125 0 CA-C-N 112.075 -2.329 . . . . 0.0 113.29 -173.19 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -144.68 27.98 1.32 Allowed 'General case' 0 C--N 1.387 2.23 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -178.469 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.3 t -109.88 174.67 5.76 Favored 'General case' 0 C--N 1.378 1.84 0 C-N-CA 123.882 0.873 . . . . 0.0 112.382 -179.162 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.478 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 27.0 t70 -66.87 115.14 6.3 Favored 'General case' 0 C--N 1.391 2.409 0 N-CA-C 104.992 -2.225 . . . . 0.0 104.992 174.659 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.478 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 36.4 mmtm 72.14 -59.64 0.55 Allowed 'General case' 0 C--N 1.392 2.431 0 C-N-CA 127.176 2.19 . . . . 0.0 110.474 -178.523 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 23.8 t 70.18 50.35 0.43 Allowed 'General case' 0 C--N 1.382 1.98 0 C-N-CA 128.528 2.731 . . . . 0.0 107.125 -177.089 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 20.3 t30 62.47 87.25 0.1 Allowed 'General case' 0 C--N 1.389 2.292 0 C-N-CA 126.52 1.928 . . . . 0.0 106.243 -177.597 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.54 ' C ' ' HZ1' ' A' ' 24' ' ' LYS . 2.2 tt . . . . . 0 CA--C 1.589 2.46 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 176.154 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.2 tpp85 . . . . . 0 N--CA 1.539 3.976 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 30.4 mt -97.34 121.32 47.74 Favored 'Isoleucine or valine' 0 C--N 1.394 2.519 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 -175.127 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.5 m -137.05 151.02 48.45 Favored 'General case' 0 C--N 1.388 2.275 0 CA-C-O 122.819 1.295 . . . . 0.0 108.611 171.749 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -67.35 152.95 44.8 Favored 'General case' 0 C--N 1.382 2.007 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.999 -171.775 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -130.26 32.92 4.4 Favored 'General case' 0 C--N 1.387 2.223 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 169.934 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.194 21.3 m170 -77.83 -178.0 5.2 Favored 'General case' 0 C--N 1.389 2.321 0 C-N-CA 127.196 2.199 . . . . 0.0 115.086 -170.934 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.7 mt 72.11 -170.11 0.14 Allowed 'General case' 0 C--N 1.382 1.992 0 C-N-CA 126.069 1.747 . . . . 0.0 114.084 173.462 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.96 53.13 47.68 Favored Glycine 0 C--N 1.382 3.136 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 -179.039 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.1 m 107.21 -36.65 0.01 OUTLIER 'General case' 0 C--N 1.392 2.438 0 C-N-CA 130.482 3.513 . . . . 0.0 110.188 176.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.6 mmtt -130.93 107.43 15.23 Favored Pre-proline 0 C--N 1.385 2.13 0 CA-C-N 118.368 0.531 . . . . 0.0 109.648 -173.86 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -82.11 2.56 8.45 Favored 'Trans proline' 0 CA--C 1.594 3.49 1 N-CA-C 124.205 4.656 . . . . 0.0 124.205 179.85 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -101.29 -23.58 0.05 OUTLIER 'Trans proline' 0 C--N 1.399 3.219 1 N-CA-C 123.321 4.316 . . . . 0.0 123.321 -172.46 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.3 p -78.93 156.38 28.59 Favored 'General case' 0 C--N 1.393 2.477 0 CA-C-N 123.167 2.712 . . . . 0.0 115.825 -172.624 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.3 p -138.02 149.59 46.2 Favored 'General case' 0 C--N 1.378 1.811 0 CA-C-N 112.271 -2.24 . . . . 0.0 108.821 -179.825 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -111.2 111.31 22.3 Favored 'General case' 0 C--N 1.384 2.106 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -171.875 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.6 m -81.95 98.98 8.83 Favored 'General case' 0 C--N 1.391 2.404 0 N-CA-C 102.867 -3.012 . . . . 0.0 102.867 172.21 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.3 t -118.55 159.88 22.77 Favored 'General case' 0 C--N 1.387 2.218 0 CA-C-O 123.682 1.706 . . . . 0.0 112.55 -171.503 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -80.08 1.57 27.36 Favored 'General case' 0 C--N 1.377 1.802 0 CA-C-N 112.653 -2.067 . . . . 0.0 112.249 -174.346 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -89.96 126.45 35.74 Favored 'General case' 0 C--N 1.388 2.275 0 CA-C-N 120.689 1.586 . . . . 0.0 107.781 -177.522 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.088 6.5 m-20 -53.03 -14.99 0.68 Allowed 'General case' 0 CA--C 1.587 2.372 0 C-N-CA 129.943 3.297 . . . . 0.0 113.955 179.596 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.0 p -156.06 163.93 39.06 Favored 'General case' 0 C--N 1.381 1.935 0 C-N-CA 125.253 1.421 . . . . 0.0 108.714 -177.702 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.9 p -140.06 172.2 13.1 Favored 'General case' 0 C--N 1.387 2.202 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 -177.843 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -128.69 152.08 48.8 Favored 'General case' 0 C--N 1.381 1.966 0 CA-C-O 124.697 2.189 . . . . 0.0 114.235 -171.909 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.551 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 47.8 mmtt -107.49 112.16 24.79 Favored 'General case' 0 C--N 1.38 1.896 0 CA-C-N 110.832 -2.895 . . . . 0.0 104.38 -179.18 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.525 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 2.3 t30 -114.13 121.38 43.61 Favored 'General case' 0 CA--C 1.579 2.069 0 N-CA-C 102.586 -3.116 . . . . 0.0 102.586 -178.412 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -128.08 -3.72 3.81 Favored 'Isoleucine or valine' 0 C--N 1.401 2.822 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 -151.194 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.525 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -100.12 -102.07 0.24 Allowed 'General case' 0 CA--C 1.582 2.176 1 C-N-CA 132.729 4.412 . . . . 0.0 106.18 -173.765 . . . . . . . . 4 4 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.314 14.9 t 88.14 -51.46 0.04 OUTLIER 'General case' 0 C--N 1.392 2.434 0 C-N-CA 126.881 2.072 . . . . 0.0 110.843 177.594 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 55.8 t80 126.82 -60.56 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.398 0 C-N-CA 127.939 2.495 . . . . 0.0 104.296 -179.349 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -53.95 112.14 0.89 Allowed 'General case' 0 C--N 1.396 2.604 0 N-CA-C 101.468 -3.53 . . . . 0.0 101.468 153.189 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -73.16 107.06 5.29 Favored 'General case' 0 C--N 1.4 2.798 0 N-CA-C 105.6 -2.0 . . . . 0.0 105.6 -169.643 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 tp -164.98 162.74 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.399 2.752 0 C-N-CA 118.01 -1.476 . . . . 0.0 113.402 -168.388 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 26.1 mm -99.9 100.67 10.88 Favored 'Isoleucine or valine' 0 C--N 1.388 2.26 0 N-CA-C 106.121 -1.807 . . . . 0.0 106.121 178.208 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.01 123.75 21.17 Favored 'General case' 0 C--N 1.383 2.048 0 N-CA-C 103.187 -2.894 . . . . 0.0 103.187 -179.681 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.8 ptt-85 -166.01 -168.13 1.2 Allowed 'General case' 0 C--N 1.391 2.379 0 C-N-CA 118.06 -1.456 . . . . 0.0 112.312 -151.54 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 175.19 -169.32 42.16 Favored Glycine 0 C--N 1.393 3.717 0 C-N-CA 113.987 -3.959 . . . . 0.0 117.557 -175.29 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.1 p -80.21 124.69 29.02 Favored 'General case' 0 C--N 1.385 2.12 0 CA-C-N 113.899 -1.15 . . . . 0.0 111.465 -175.943 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.58 -91.81 0.08 OUTLIER Glycine 0 C--N 1.398 3.99 0 C-N-CA 117.302 -2.38 . . . . 0.0 107.822 175.942 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.318 35.9 t 83.6 -59.28 0.13 Allowed 'General case' 0 C--N 1.384 2.1 0 CA-C-O 122.259 1.028 . . . . 0.0 109.089 -175.917 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.383 2.047 0 N-CA-C 104.721 -2.325 . . . . 0.0 104.721 -172.678 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 1.979 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -57.99 158.32 21.72 Favored 'Trans proline' 0 C--N 1.382 2.309 0 CA-C-O 122.651 1.021 . . . . 0.0 113.974 176.154 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . 0.255 0.5 OUTLIER -82.92 144.68 29.87 Favored 'General case' 0 C--N 1.385 2.141 0 CA-C-N 114.059 -1.428 . . . . 0.0 110.159 -178.312 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.429 ' SG ' ' N ' ' A' ' 52' ' ' CYS . 36.1 t -118.97 155.99 30.37 Favored 'General case' 0 C--N 1.395 2.581 0 N-CA-C 118.864 2.912 . . . . 0.0 118.864 -164.499 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.429 ' N ' ' SG ' ' A' ' 51' ' ' CYS . 5.2 t -142.06 160.46 40.18 Favored 'General case' 0 C--N 1.388 2.266 0 C-N-CA 127.904 2.482 . . . . 0.0 111.115 177.162 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -125.1 62.75 1.16 Allowed 'General case' 0 C--N 1.391 2.395 0 CA-C-N 119.371 0.987 . . . . 0.0 109.074 -179.659 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.17 167.73 28.32 Favored 'General case' 0 C--N 1.385 2.152 0 C-N-CA 118.413 -1.315 . . . . 0.0 111.5 177.935 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.513 ' CG ' ' HZ2' ' A' ' 56' ' ' LYS . 39.6 t0 -68.04 118.85 11.76 Favored 'General case' 0 C--N 1.385 2.137 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 174.605 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.513 ' HZ2' ' CG ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER 71.59 -54.8 0.67 Allowed 'General case' 0 C--N 1.398 2.705 0 C-N-CA 127.336 2.254 . . . . 0.0 113.956 -177.772 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 92.5 m 56.43 59.37 3.66 Favored 'General case' 0 CA--C 1.581 2.137 0 N-CA-C 104.552 -2.388 . . . . 0.0 104.552 -163.213 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 74.7 -64.78 0.37 Allowed 'General case' 0 C--N 1.39 2.358 0 C-N-CA 131.267 3.827 . . . . 0.0 112.326 174.583 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.551 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 25.7 tp . . . . . 0 CA--C 1.58 2.118 0 N-CA-C 101.998 -3.334 . . . . 0.0 101.998 -171.095 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.0 tpp85 . . . . . 0 N--CA 1.535 3.802 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.6 mp -102.49 128.71 54.97 Favored 'Isoleucine or valine' 0 C--N 1.39 2.328 0 CA-C-O 123.183 1.468 . . . . 0.0 109.77 -174.948 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.0 p -152.44 153.47 33.6 Favored 'General case' 0 C--N 1.383 2.028 0 CA-C-N 114.826 -1.079 . . . . 0.0 108.948 175.63 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -77.62 176.09 9.28 Favored 'General case' 0 C--N 1.39 2.359 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 -165.141 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -152.99 52.17 0.75 Allowed 'General case' 0 C--N 1.386 2.182 0 N-CA-C 103.097 -2.927 . . . . 0.0 103.097 168.738 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.191 8.4 m170 -104.05 -147.59 0.39 Allowed 'General case' 0 C--N 1.389 2.285 0 C-N-CA 126.656 1.982 . . . . 0.0 110.489 -175.327 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.358 5.6 mp 62.73 -170.8 0.17 Allowed 'General case' 0 C--N 1.387 2.212 0 CA-C-O 123.008 1.385 . . . . 0.0 112.762 173.45 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.3 -80.62 1.81 Allowed Glycine 0 C--N 1.383 3.184 0 N-CA-C 105.11 -3.196 . . . . 0.0 105.11 -167.738 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 87.0 m -140.98 -32.95 0.54 Allowed 'General case' 0 C--N 1.378 1.842 0 CA-C-N 114.24 -0.98 . . . . 0.0 111.108 -179.569 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -107.77 115.81 58.38 Favored Pre-proline 0 CA--C 1.58 2.107 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 -175.273 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -87.51 -16.58 3.06 Favored 'Trans proline' 0 C--N 1.404 3.466 0 N-CA-C 122.0 3.808 . . . . 0.0 122.0 -175.927 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -77.24 -21.01 12.25 Favored 'Trans proline' 0 C--N 1.395 2.994 1 N-CA-C 125.83 5.281 . . . . 0.0 125.83 -171.839 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.5 p -77.84 141.09 39.37 Favored 'General case' 0 C--N 1.394 2.53 0 CA-C-N 125.054 3.57 . . . . 0.0 113.209 -174.338 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.3 p -129.68 144.49 51.31 Favored 'General case' 0 C--N 1.381 1.959 0 CA-C-N 112.947 -1.933 . . . . 0.0 109.216 -176.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -109.74 106.01 15.48 Favored 'General case' 0 C--N 1.381 1.961 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 -174.736 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 67.7 m -87.57 107.29 18.52 Favored 'General case' 0 C--N 1.386 2.17 0 N-CA-C 102.777 -3.045 . . . . 0.0 102.777 177.512 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -119.26 145.82 45.76 Favored 'General case' 0 C--N 1.393 2.489 0 CA-C-O 122.987 1.375 . . . . 0.0 113.123 -168.714 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.2 mp0 -89.29 52.41 2.37 Favored 'General case' 0 C--N 1.386 2.155 0 CA-C-N 113.42 -1.718 . . . . 0.0 106.5 177.519 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -149.58 129.09 13.05 Favored 'General case' 0 C--N 1.379 1.872 0 N-CA-C 105.192 -2.151 . . . . 0.0 105.192 -179.854 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.129 45.8 m-20 -41.64 -47.94 4.0 Favored 'General case' 0 C--N 1.381 1.942 0 C-N-CA 126.679 1.992 . . . . 0.0 110.739 -179.132 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.5 m -124.78 164.97 18.85 Favored 'General case' 0 C--N 1.389 2.291 0 CA-C-O 124.89 2.281 . . . . 0.0 115.652 -169.009 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.4 p -148.53 166.95 26.68 Favored 'General case' 0 C--N 1.378 1.835 0 CA-C-N 111.35 -2.659 . . . . 0.0 113.317 174.431 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -113.69 146.93 39.08 Favored 'General case' 0 C--N 1.379 1.876 0 CA-C-N 114.391 -1.277 . . . . 0.0 111.267 -171.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.554 ' HZ1' ' C ' ' A' ' 59' ' ' LEU . 59.3 mttt -120.67 110.91 16.97 Favored 'General case' 0 C--N 1.388 2.251 0 N-CA-C 104.841 -2.281 . . . . 0.0 104.841 179.069 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.568 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 2.2 t30 -113.83 129.25 56.61 Favored 'General case' 0 CA--C 1.581 2.141 0 C-N-CA 126.4 1.88 . . . . 0.0 106.736 -164.095 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -123.39 -23.99 2.39 Favored 'Isoleucine or valine' 0 C--N 1.401 2.805 0 N-CA-C 117.192 2.293 . . . . 0.0 117.192 -155.641 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.591 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -65.37 -99.26 0.0 OUTLIER 'General case' 0 CA--C 1.589 2.455 1 C-N-CA 131.918 4.087 . . . . 0.0 106.334 175.681 . . . . . . . . 4 4 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.255 9.7 t 74.97 -11.12 1.11 Allowed 'General case' 0 C--N 1.39 2.343 0 CA-C-O 116.842 -1.551 . . . . 0.0 113.886 174.825 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . 0.313 91.4 t80 86.62 -37.88 0.04 OUTLIER 'General case' 0 C--N 1.393 2.468 0 CA-C-N 122.698 2.499 . . . . 0.0 108.96 -173.192 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -86.25 -6.46 58.97 Favored 'General case' 0 CA--C 1.578 2.049 0 CA-C-O 116.784 -1.579 . . . . 0.0 112.988 177.501 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.8 t30 64.55 73.3 0.43 Allowed 'General case' 0 C--N 1.396 2.623 0 CA-C-N 122.943 2.61 . . . . 0.0 105.187 177.271 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 tp -159.0 157.42 3.23 Favored 'Isoleucine or valine' 0 C--N 1.392 2.433 0 C-N-CA 119.388 -0.925 . . . . 0.0 112.224 -174.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.6 mm -96.42 94.36 4.08 Favored 'Isoleucine or valine' 0 C--N 1.39 2.328 0 N-CA-C 106.067 -1.827 . . . . 0.0 106.067 177.898 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.73 128.17 21.27 Favored 'General case' 0 C--N 1.382 1.985 0 N-CA-C 104.155 -2.535 . . . . 0.0 104.155 179.851 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.415 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -169.47 -165.97 0.56 Allowed 'General case' 0 C--N 1.399 2.758 0 C-N-CA 117.635 -1.626 . . . . 0.0 113.067 -148.458 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -179.77 -178.54 48.52 Favored Glycine 0 C--N 1.393 3.742 1 C-N-CA 113.596 -4.145 . . . . 0.0 119.209 -170.28 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 47.3 t -66.73 121.5 15.57 Favored 'General case' 0 C--N 1.391 2.371 0 CA-C-N 114.157 -1.021 . . . . 0.0 108.908 -176.916 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.45 -108.96 0.21 Allowed Glycine 1 C--N 1.402 4.225 0 C-N-CA 116.212 -2.899 . . . . 0.0 107.962 179.187 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.394 41.9 t 81.57 -163.35 0.02 OUTLIER 'General case' 0 C--N 1.387 2.237 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 176.932 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--N 1.385 2.112 0 CA-C-N 114.795 -1.093 . . . . 0.0 108.414 173.562 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.574 3.723 0 N-CA-C 109.408 -1.477 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . 0.255 19.1 Cg_exo -58.93 -178.83 0.13 Allowed 'Trans proline' 0 C--N 1.384 2.415 1 C-N-CA 127.332 5.354 . . . . 0.0 115.565 172.991 . . . . . . . . 3 2 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -89.98 141.55 28.55 Favored 'General case' 0 C--N 1.388 2.26 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 173.452 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 34.0 m -115.76 147.49 40.88 Favored 'General case' 0 C--N 1.391 2.412 0 CA-C-O 123.503 1.621 . . . . 0.0 113.46 -172.799 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 23.0 t -110.03 146.14 35.83 Favored 'General case' 0 C--N 1.382 2.015 0 CA-C-N 113.068 -1.878 . . . . 0.0 107.94 169.683 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -130.73 26.3 5.01 Favored 'General case' 0 C--N 1.378 1.836 0 CA-C-O 122.669 1.223 . . . . 0.0 110.148 172.527 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.4 p -127.27 171.33 11.57 Favored 'General case' 0 C--N 1.379 1.865 0 C-N-CA 127.322 2.249 . . . . 0.0 109.718 177.642 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.435 ' OD1' ' NZ ' ' A' ' 56' ' ' LYS . 30.8 t0 -72.99 129.77 38.84 Favored 'General case' 0 C--N 1.385 2.122 0 C-N-CA 117.621 -1.631 . . . . 0.0 108.278 178.182 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.435 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 40.3 mmtm 76.3 -69.21 0.17 Allowed 'General case' 0 C--N 1.391 2.408 0 C-N-CA 127.006 2.122 . . . . 0.0 113.849 172.3 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.254 58.8 m 61.18 63.84 1.18 Allowed 'General case' 0 CA--C 1.582 2.202 0 N-CA-C 105.155 -2.165 . . . . 0.0 105.155 -166.926 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.259 87.1 m-20 69.92 -57.88 0.54 Allowed 'General case' 0 C--N 1.39 2.331 0 C-N-CA 130.851 3.66 . . . . 0.0 112.334 175.882 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.554 ' C ' ' HZ1' ' A' ' 24' ' ' LYS . 2.5 mt . . . . . 0 CA--C 1.591 2.554 0 N-CA-C 104.813 -2.292 . . . . 0.0 104.813 -178.517 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.473 ' H3 ' ' CG ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.537 3.906 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.0 mt -75.5 125.61 35.31 Favored 'Isoleucine or valine' 0 C--N 1.395 2.556 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 176.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.1 m -136.79 178.51 7.02 Favored 'General case' 0 C--N 1.383 2.052 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.883 169.491 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -112.16 172.01 7.16 Favored 'General case' 0 C--N 1.38 1.896 0 N-CA-C 115.386 1.624 . . . . 0.0 115.386 -165.712 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 48.9 p30 -156.43 34.39 0.32 Allowed 'General case' 0 C--N 1.39 2.356 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 169.095 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.174 14.9 m170 -75.08 -168.74 0.8 Allowed 'General case' 0 C--N 1.387 2.207 0 C-N-CA 125.514 1.526 . . . . 0.0 113.436 -176.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.311 20.5 mt 69.82 -168.4 0.17 Allowed 'General case' 0 C--N 1.385 2.114 0 CA-C-O 121.827 0.823 . . . . 0.0 112.689 174.348 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.84 -66.2 2.56 Favored Glycine 0 C--N 1.383 3.182 0 N-CA-C 105.682 -2.967 . . . . 0.0 105.682 -166.712 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.9 m -151.07 -41.24 0.12 Allowed 'General case' 0 C--N 1.378 1.847 0 CA-C-N 113.198 -1.501 . . . . 0.0 108.096 175.154 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -103.37 128.32 27.77 Favored Pre-proline 0 CA--C 1.585 2.29 0 CA-C-O 118.934 -0.555 . . . . 0.0 112.268 -173.079 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -93.91 -2.26 3.03 Favored 'Trans proline' 0 C--N 1.411 3.839 1 N-CA-C 123.611 4.427 . . . . 0.0 123.611 -176.17 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -90.15 -18.17 1.43 Allowed 'Trans proline' 0 C--N 1.399 3.196 1 N-CA-C 124.151 4.635 . . . . 0.0 124.151 -172.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.6 p -86.08 142.6 28.58 Favored 'General case' 0 C--N 1.391 2.388 0 CA-C-N 123.189 2.722 . . . . 0.0 116.505 -170.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.9 p -140.12 148.53 41.81 Favored 'General case' 0 C--N 1.38 1.898 0 CA-C-N 110.783 -2.917 . . . . 0.0 108.189 -179.666 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -115.78 119.4 35.9 Favored 'General case' 0 C--N 1.379 1.868 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 -174.72 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 53.6 m -75.25 107.08 7.12 Favored 'General case' 0 C--N 1.393 2.487 0 N-CA-C 101.93 -3.359 . . . . 0.0 101.93 169.457 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.6 t -113.96 146.97 39.36 Favored 'General case' 0 C--N 1.394 2.529 0 CA-C-O 123.249 1.5 . . . . 0.0 111.317 -170.111 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -89.93 -18.94 25.16 Favored 'General case' 0 C--N 1.383 2.043 0 CA-C-N 113.436 -1.711 . . . . 0.0 113.085 -174.27 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -76.32 128.71 35.42 Favored 'General case' 0 C--N 1.388 2.28 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 177.152 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.473 ' CG ' ' H3 ' ' A' ' 1' ' ' ARG 2.163 46.9 m-20 -63.27 1.22 0.52 Allowed 'General case' 0 C--N 1.389 2.299 0 C-N-CA 127.913 2.485 . . . . 0.0 116.36 -172.589 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.9 m -144.11 152.07 40.44 Favored 'General case' 0 C--N 1.375 1.715 0 CA-C-O 122.779 1.276 . . . . 0.0 108.273 179.213 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.6 p -151.57 145.56 25.22 Favored 'General case' 0 C--N 1.379 1.887 0 CA-C-O 123.328 1.537 . . . . 0.0 109.38 -179.152 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -116.96 144.9 44.03 Favored 'General case' 0 C--N 1.38 1.933 0 CA-C-N 114.34 -1.3 . . . . 0.0 114.445 -161.406 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.455 ' NZ ' ' O ' ' A' ' 58' ' ' ASN . 25.5 mtpp -96.21 112.31 24.09 Favored 'General case' 0 C--N 1.387 2.234 0 N-CA-C 104.232 -2.507 . . . . 0.0 104.232 177.6 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.409 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 2.2 t30 -115.43 126.02 53.84 Favored 'General case' 0 CA--C 1.582 2.194 0 N-CA-C 102.682 -3.081 . . . . 0.0 102.682 -175.709 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.432 HD11 ' H ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -124.38 -19.48 3.42 Favored 'Isoleucine or valine' 0 C--N 1.393 2.471 0 N-CA-C 116.883 2.179 . . . . 0.0 116.883 -149.568 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.409 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -85.54 -99.03 0.07 Allowed 'General case' 0 CA--C 1.578 2.03 1 C-N-CA 133.974 4.91 . . . . 0.0 104.986 178.205 . . . . . . . . 4 4 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.5 t 75.2 155.25 0.16 Allowed 'General case' 0 C--N 1.39 2.343 0 CA-C-O 122.467 1.127 . . . . 0.0 110.841 178.282 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -54.77 -44.23 73.47 Favored 'General case' 0 C--N 1.388 2.272 0 O-C-N 121.625 -0.672 . . . . 0.0 110.976 179.543 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.53 4.36 13.54 Favored 'General case' 0 CA--C 1.581 2.143 0 C-N-CA 128.48 2.712 . . . . 0.0 113.477 -177.608 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 53.06 67.63 0.97 Allowed 'General case' 0 C--N 1.394 2.533 0 CA-C-N 122.082 2.219 . . . . 0.0 105.598 178.019 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.5 tp -153.52 164.45 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.384 2.089 0 CA-C-N 114.673 -1.149 . . . . 0.0 111.682 -169.53 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.9 mp -92.31 98.09 7.97 Favored 'Isoleucine or valine' 0 C--N 1.384 2.093 0 N-CA-C 102.636 -3.098 . . . . 0.0 102.636 173.844 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.0 ttp85 -143.57 125.1 14.83 Favored 'General case' 0 C--N 1.386 2.192 0 N-CA-C 103.841 -2.652 . . . . 0.0 103.841 -177.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.0 -166.54 2.52 Favored 'General case' 0 C--N 1.388 2.258 0 C-N-CA 118.087 -1.445 . . . . 0.0 114.166 -157.949 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -170.51 -169.02 33.12 Favored Glycine 0 C--N 1.393 3.71 1 C-N-CA 113.213 -4.327 . . . . 0.0 119.029 -174.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.4 t -95.87 117.29 30.3 Favored 'General case' 0 C--N 1.384 2.09 0 CA-C-N 113.382 -1.409 . . . . 0.0 109.331 -174.516 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.37 -87.37 0.07 OUTLIER Glycine 0 C--N 1.395 3.82 0 C-N-CA 116.973 -2.537 . . . . 0.0 106.783 173.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.351 28.4 t 78.53 -164.38 0.03 OUTLIER 'General case' 0 C--N 1.387 2.201 0 CA-C-N 114.57 -0.815 . . . . 0.0 112.216 -176.903 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 . . . . . 0 CA--C 1.586 2.345 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 164.293 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.565 3.177 0 N-CA-C 112.673 -0.171 . . . . 0.0 112.673 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -50.7 151.92 10.13 Favored 'Trans proline' 0 C--N 1.393 2.888 0 CA-C-O 124.094 1.623 . . . . 0.0 108.591 169.817 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 26.7 p90 -77.93 149.87 34.11 Favored 'General case' 0 C--N 1.383 2.024 0 CA-C-N 113.454 -1.703 . . . . 0.0 110.679 -178.562 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.8 m -118.67 160.28 22.12 Favored 'General case' 0 C--N 1.391 2.392 0 N-CA-C 116.626 2.084 . . . . 0.0 116.626 -166.477 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.2 t -122.72 157.57 32.01 Favored 'General case' 0 C--N 1.38 1.925 0 CA-C-N 112.19 -2.277 . . . . 0.0 109.535 169.377 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -135.15 52.36 2.04 Favored 'General case' 0 C--N 1.383 2.046 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 170.887 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 t -143.58 174.14 11.04 Favored 'General case' 0 C--N 1.386 2.194 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.798 177.178 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.515 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 25.7 t70 -66.12 126.36 28.42 Favored 'General case' 0 C--N 1.387 2.197 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 179.16 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.515 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 36.8 mmtm 71.03 -87.93 0.03 OUTLIER 'General case' 0 C--N 1.388 2.26 0 C-N-CA 126.467 1.907 . . . . 0.0 110.098 176.123 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.293 5.1 m 82.53 50.42 0.02 OUTLIER 'General case' 0 C--N 1.385 2.146 0 C-N-CA 129.025 2.93 . . . . 0.0 109.162 -174.612 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.455 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 71.0 m-80 54.6 58.41 4.9 Favored 'General case' 0 C--N 1.39 2.337 0 C-N-CA 125.498 1.519 . . . . 0.0 109.01 174.442 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.8 tt . . . . . 0 CA--C 1.581 2.137 0 N-CA-C 102.649 -3.093 . . . . 0.0 102.649 -175.186 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 1 N--CA 1.541 4.093 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 . . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 78.2 mt -136.68 128.72 44.04 Favored 'Isoleucine or valine' 0 C--N 1.384 2.085 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 177.528 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.3 m -132.46 143.91 50.11 Favored 'General case' 0 C--N 1.39 2.329 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 172.796 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -82.57 160.21 22.6 Favored 'General case' 0 C--N 1.391 2.37 0 O-C-N 120.377 -1.452 . . . . 0.0 113.956 -167.419 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -138.33 -1.52 1.9 Allowed 'General case' 0 C--N 1.394 2.535 0 CA-C-O 118.228 -0.891 . . . . 0.0 112.24 -173.247 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.217 15.6 m170 -68.38 -155.69 0.02 OUTLIER 'General case' 0 C--N 1.384 2.087 0 C-N-CA 125.783 1.633 . . . . 0.0 114.66 -170.277 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.418 ' H ' ' HA ' ' A' ' 11' ' ' PRO 0.281 60.9 mt 77.89 178.85 0.14 Allowed 'General case' 0 C--N 1.383 2.033 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 172.439 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 64.59 -127.05 33.67 Favored Glycine 0 CA--C 1.572 3.641 0 CA-C-O 123.155 1.42 . . . . 0.0 109.731 -170.711 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.1 m -69.79 -42.02 74.32 Favored 'General case' 0 C--N 1.385 2.121 0 O-C-N 121.878 -0.777 . . . . 0.0 111.142 -172.34 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -121.19 106.57 38.33 Favored Pre-proline 0 C--N 1.383 2.029 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 -173.453 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.418 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 81.0 Cg_exo -84.22 -9.51 9.43 Favored 'Trans proline' 0 C--N 1.4 3.265 0 N-CA-C 122.385 3.956 . . . . 0.0 122.385 -176.66 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -75.8 -12.39 19.98 Favored 'Trans proline' 0 C--N 1.394 2.924 1 N-CA-C 128.474 6.298 . . . . 0.0 128.474 -172.968 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.1 p -111.12 160.11 17.2 Favored 'General case' 0 C--N 1.389 2.321 1 CA-C-N 126.443 4.202 . . . . 0.0 118.942 -171.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 67.1 p -132.56 148.44 52.37 Favored 'General case' 0 C--N 1.373 1.629 0 CA-C-N 110.337 -3.119 . . . . 0.0 107.886 179.911 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -115.94 113.55 23.43 Favored 'General case' 0 C--N 1.384 2.075 0 CA-C-O 123.185 1.469 . . . . 0.0 110.121 -171.766 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 m -69.12 124.55 24.08 Favored 'General case' 0 C--N 1.392 2.441 0 N-CA-C 105.037 -2.208 . . . . 0.0 105.037 167.144 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -119.81 131.82 55.42 Favored 'General case' 0 C--N 1.384 2.072 0 N-CA-C 106.008 -1.849 . . . . 0.0 106.008 174.642 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -141.29 56.8 1.53 Allowed 'General case' 0 C--N 1.376 1.733 0 N-CA-C 103.665 -2.717 . . . . 0.0 103.665 166.335 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -131.27 47.02 2.58 Favored 'General case' 0 C--N 1.383 2.051 0 N-CA-C 106.171 -1.789 . . . . 0.0 106.171 -179.406 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.346 0.9 OUTLIER 78.48 -44.8 0.39 Allowed 'General case' 0 C--N 1.385 2.134 0 C-N-CA 127.214 2.206 . . . . 0.0 114.819 173.367 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.0 m -148.39 162.55 39.33 Favored 'General case' 0 C--N 1.385 2.119 0 CA-C-O 123.795 1.759 . . . . 0.0 115.46 -170.213 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -142.77 178.76 7.43 Favored 'General case' 0 C--N 1.384 2.103 0 CA-C-N 112.955 -1.929 . . . . 0.0 112.412 174.397 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -152.81 156.63 39.43 Favored 'General case' 0 C--N 1.383 2.037 0 CA-C-O 123.546 1.641 . . . . 0.0 114.92 -170.021 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.32 135.06 50.25 Favored 'General case' 0 C--N 1.384 2.086 0 CA-C-N 112.119 -2.31 . . . . 0.0 107.076 173.388 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.501 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 2.4 t30 -133.57 119.04 18.96 Favored 'General case' 0 CA--C 1.573 1.843 0 N-CA-C 103.105 -2.924 . . . . 0.0 103.105 -177.278 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -136.37 -25.39 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.404 2.978 0 N-CA-C 118.798 2.888 . . . . 0.0 118.798 -151.496 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.582 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -63.83 -109.66 0.0 OUTLIER 'General case' 0 CA--C 1.591 2.547 1 C-N-CA 132.361 4.264 . . . . 0.0 108.146 172.262 . . . . . . . . 4 4 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.9 t 76.64 160.18 0.22 Allowed 'General case' 0 C--N 1.394 2.511 0 C-N-CA 125.744 1.618 . . . . 0.0 112.867 176.776 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -60.95 -46.27 91.39 Favored 'General case' 0 C--N 1.393 2.469 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 172.457 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -76.05 0.46 18.58 Favored 'General case' 0 CA--C 1.575 1.941 0 C-N-CA 126.899 2.079 . . . . 0.0 113.966 -176.711 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 54.49 67.46 1.01 Allowed 'General case' 0 C--N 1.396 2.607 0 CA-C-N 122.963 2.62 . . . . 0.0 107.498 173.155 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.0 tp -155.25 153.7 7.58 Favored 'Isoleucine or valine' 0 C--N 1.387 2.218 0 CA-C-O 121.811 0.815 . . . . 0.0 110.56 -174.819 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 30.1 mt -94.59 93.26 3.83 Favored 'Isoleucine or valine' 0 C--N 1.388 2.252 0 N-CA-C 105.343 -2.095 . . . . 0.0 105.343 179.499 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.8 ttp85 -130.88 111.74 12.36 Favored 'General case' 0 C--N 1.385 2.119 0 N-CA-C 103.179 -2.897 . . . . 0.0 103.179 -176.408 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.57 -162.42 1.45 Allowed 'General case' 0 C--N 1.383 2.041 0 CA-C-N 111.815 -2.448 . . . . 0.0 111.818 -154.32 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 178.42 -164.02 32.36 Favored Glycine 0 C--N 1.391 3.602 1 C-N-CA 113.569 -4.158 . . . . 0.0 119.046 -173.544 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.9 t -93.37 110.58 22.12 Favored 'General case' 0 C--N 1.38 1.893 0 CA-C-N 111.6 -2.3 . . . . 0.0 108.013 -178.418 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.11 -97.24 0.11 Allowed Glycine 1 C--N 1.4 4.121 0 C-N-CA 115.34 -3.314 . . . . 0.0 107.907 176.383 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.449 20.5 t 85.92 -155.96 0.01 OUTLIER 'General case' 0 C--N 1.38 1.897 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 179.226 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 . . . . . 0 C--N 1.386 2.162 0 N-CA-C 104.613 -2.366 . . . . 0.0 104.613 176.91 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 2.27 0 CA-C-O 120.706 0.059 . . . . 0.0 113.243 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -64.59 171.45 8.25 Favored 'Trans proline' 0 C--N 1.389 2.703 0 O-C-N 123.075 1.039 . . . . 0.0 111.301 172.883 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -97.85 128.53 44.53 Favored 'General case' 0 C--N 1.389 2.294 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 179.345 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.3 m -121.03 167.6 12.42 Favored 'General case' 0 C--N 1.392 2.436 0 N-CA-C 117.593 2.442 . . . . 0.0 117.593 -162.033 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.9 t -158.36 158.43 34.25 Favored 'General case' 0 C--N 1.387 2.196 0 CA-C-N 113.593 -1.639 . . . . 0.0 111.967 -174.722 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -120.72 49.56 1.44 Allowed 'General case' 0 C--N 1.384 2.094 0 CA-C-O 121.201 0.524 . . . . 0.0 110.482 -178.623 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 93.5 p -143.55 166.5 24.65 Favored 'General case' 0 C--N 1.385 2.125 0 C-N-CA 123.829 0.852 . . . . 0.0 110.574 177.441 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.527 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 29.5 t0 -73.86 119.8 18.57 Favored 'General case' 0 C--N 1.395 2.572 0 C-N-CA 119.645 -0.822 . . . . 0.0 109.121 -170.237 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.527 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.304 3.5 mppt? 68.37 -57.65 0.48 Allowed 'General case' 0 C--N 1.4 2.788 0 C-N-CA 127.489 2.315 . . . . 0.0 107.96 -169.395 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 37.9 t 81.16 -50.87 0.29 Allowed 'General case' 0 C--N 1.383 2.06 0 C-N-CA 129.098 2.959 . . . . 0.0 108.485 178.877 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -123.97 -93.05 0.51 Allowed 'General case' 0 C--N 1.386 2.189 0 N-CA-C 102.865 -3.013 . . . . 0.0 102.865 169.449 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 CA--C 1.581 2.139 0 N-CA-C 102.076 -3.305 . . . . 0.0 102.076 -175.532 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.534 3.758 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.4 mt -106.3 129.83 59.0 Favored 'Isoleucine or valine' 0 C--N 1.389 2.314 0 CA-C-O 121.935 0.874 . . . . 0.0 111.49 -170.732 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.5 m -141.01 162.17 36.11 Favored 'General case' 0 C--N 1.389 2.325 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 167.688 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -78.59 149.23 33.01 Favored 'General case' 0 C--N 1.388 2.275 0 O-C-N 121.144 -0.972 . . . . 0.0 112.424 -174.79 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -138.63 57.37 1.69 Allowed 'General case' 0 C--N 1.387 2.231 0 N-CA-C 104.4 -2.444 . . . . 0.0 104.4 177.074 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.164 3.4 m170 -108.2 -149.34 0.43 Allowed 'General case' 0 C--N 1.386 2.195 0 C-N-CA 128.18 2.592 . . . . 0.0 112.045 -174.903 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.373 4.7 mp 64.6 -163.43 0.26 Allowed 'General case' 0 C--N 1.389 2.301 0 CA-C-O 122.388 1.09 . . . . 0.0 111.758 172.203 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.52 -52.3 4.68 Favored Glycine 0 C--N 1.384 3.244 0 N-CA-C 108.837 -1.705 . . . . 0.0 108.837 -166.779 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.7 m -175.41 -43.07 0.01 OUTLIER 'General case' 0 C--N 1.384 2.098 0 C-N-CA 125.61 1.564 . . . . 0.0 107.147 -175.995 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -104.46 118.8 55.75 Favored Pre-proline 0 CA--C 1.591 2.526 0 C-N-CA 125.118 1.367 . . . . 0.0 110.657 -174.009 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -92.78 13.23 1.83 Allowed 'Trans proline' 0 C--N 1.41 3.793 0 N-CA-C 122.397 3.96 . . . . 0.0 122.397 -179.091 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -82.44 -19.24 6.57 Favored 'Trans proline' 0 C--N 1.405 3.516 1 N-CA-C 123.713 4.467 . . . . 0.0 123.713 -176.269 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.3 p -94.55 151.54 19.25 Favored 'General case' 0 C--N 1.392 2.419 0 CA-C-N 124.012 3.096 . . . . 0.0 116.46 -174.487 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 78.4 p -135.84 144.33 45.6 Favored 'General case' 0 C--N 1.382 2.016 0 CA-C-N 112.694 -2.048 . . . . 0.0 109.107 -176.904 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -99.88 88.75 3.86 Favored 'General case' 0 C--N 1.374 1.672 0 N-CA-C 105.39 -2.078 . . . . 0.0 105.39 -174.206 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.4 m -88.7 101.16 13.72 Favored 'General case' 0 C--N 1.389 2.317 0 N-CA-C 103.434 -2.802 . . . . 0.0 103.434 -179.75 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.6 t -131.65 160.79 34.36 Favored 'General case' 0 C--N 1.393 2.48 0 CA-C-O 123.303 1.525 . . . . 0.0 115.028 -163.292 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.63 -16.05 37.86 Favored 'General case' 0 C--N 1.378 1.832 0 CA-C-N 112.836 -1.984 . . . . 0.0 113.031 -178.27 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -74.36 127.72 33.73 Favored 'General case' 0 CA--C 1.585 2.294 0 N-CA-C 106.491 -1.67 . . . . 0.0 106.491 178.635 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.095 68.6 m-20 -47.45 -40.33 17.92 Favored 'General case' 0 C--N 1.388 2.253 0 C-N-CA 130.423 3.489 . . . . 0.0 114.735 -171.595 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.1 t -117.78 134.46 54.89 Favored 'General case' 0 C--N 1.378 1.826 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 -174.976 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.269 22.9 p -117.91 145.31 44.74 Favored 'General case' 0 C--N 1.383 2.029 0 CA-C-O 124.425 2.059 . . . . 0.0 109.468 173.541 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -112.01 157.58 20.57 Favored 'General case' 0 C--N 1.375 1.686 0 CA-C-N 113.007 -1.906 . . . . 0.0 112.077 -165.445 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.616 ' HZ1' ' C ' ' A' ' 59' ' ' LEU . 43.4 mttt -120.64 112.3 18.72 Favored 'General case' 0 C--N 1.378 1.832 0 CA-C-O 124.907 2.289 . . . . 0.0 104.967 -178.365 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -114.9 119.21 35.77 Favored 'General case' 0 CA--C 1.58 2.105 0 N-CA-C 102.986 -2.968 . . . . 0.0 102.986 -174.453 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.5 pp -135.24 28.04 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.395 2.562 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 -154.46 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.55 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -146.07 -107.02 0.1 Allowed 'General case' 0 CA--C 1.574 1.894 0 C-N-CA 127.58 2.352 . . . . 0.0 104.993 -164.199 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.4 t 75.83 160.6 0.23 Allowed 'General case' 0 C--N 1.391 2.386 0 O-C-N 120.9 -1.125 . . . . 0.0 111.815 179.229 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -59.15 -38.65 80.21 Favored 'General case' 0 C--N 1.391 2.371 0 O-C-N 121.795 -0.565 . . . . 0.0 109.764 176.063 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.424 ' CG ' HH21 ' A' ' 34' ' ' ARG . 5.3 p-10 -79.17 2.57 20.53 Favored 'General case' 0 CA--C 1.585 2.324 0 C-N-CA 128.629 2.772 . . . . 0.0 114.362 -178.8 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . 0.251 1.5 t30 50.23 78.69 0.1 Allowed 'General case' 0 C--N 1.391 2.398 0 C-N-CA 128.157 2.583 . . . . 0.0 108.228 175.91 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 tp -160.52 170.25 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.388 2.247 0 C-N-CA 120.225 -0.59 . . . . 0.0 111.494 -175.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 59.2 mt -104.61 116.66 48.84 Favored 'Isoleucine or valine' 0 C--N 1.387 2.229 0 N-CA-C 105.333 -2.099 . . . . 0.0 105.333 172.385 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.424 HH21 ' CG ' ' A' ' 30' ' ' ASP . 3.3 ttp85 -161.16 110.66 1.64 Allowed 'General case' 0 C--N 1.383 2.023 0 N-CA-C 101.58 -3.489 . . . . 0.0 101.58 -171.987 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.464 HH22 ' C ' ' A' ' 59' ' ' LEU . 31.9 ptt85 -143.78 -172.47 3.75 Favored 'General case' 0 C--N 1.384 2.086 0 CA-C-N 114.4 -1.273 . . . . 0.0 113.397 -157.326 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 177.43 -167.72 38.97 Favored Glycine 0 C--N 1.39 3.569 0 C-N-CA 114.453 -3.737 . . . . 0.0 116.49 -171.533 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.1 p -90.98 124.13 34.99 Favored 'General case' 0 C--N 1.387 2.226 0 CA-C-O 122.59 1.186 . . . . 0.0 109.895 -178.645 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.1 -104.74 0.18 Allowed Glycine 0 C--N 1.392 3.655 0 N-CA-C 105.595 -3.002 . . . . 0.0 105.595 177.811 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.322 43.0 t 84.0 -49.55 0.12 Allowed 'General case' 0 C--N 1.39 2.345 0 O-C-N 121.768 -0.842 . . . . 0.0 111.132 177.002 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 . . . . . 0 C--N 1.384 2.095 0 N-CA-C 103.028 -2.953 . . . . 0.0 103.028 -172.558 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.56 2.883 0 N-CA-C 107.393 -2.283 . . . . 0.0 107.393 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -58.35 163.08 10.87 Favored 'Trans proline' 0 C--N 1.388 2.647 0 C-N-CA 121.826 1.684 . . . . 0.0 110.135 172.051 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -75.22 148.01 39.86 Favored 'General case' 0 C--N 1.394 2.509 0 C-N-CA 117.569 -1.652 . . . . 0.0 108.421 178.418 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 17.7 m -118.64 157.59 27.11 Favored 'General case' 0 C--N 1.391 2.412 0 N-CA-C 116.252 1.945 . . . . 0.0 116.252 -167.295 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.4 t -145.5 161.84 38.8 Favored 'General case' 0 C--N 1.386 2.156 0 CA-C-N 113.704 -1.589 . . . . 0.0 110.5 172.478 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -137.52 36.26 2.46 Favored 'General case' 0 C--N 1.382 2.011 0 O-C-N 121.087 -1.008 . . . . 0.0 110.74 -179.213 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.4 t -123.05 157.1 33.5 Favored 'General case' 0 C--N 1.379 1.858 0 C-N-CA 126.515 1.926 . . . . 0.0 109.806 179.901 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.532 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 41.7 t0 -69.67 113.26 6.77 Favored 'General case' 0 C--N 1.389 2.301 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 -175.818 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.532 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.301 4.5 mptt 74.12 -44.26 0.56 Allowed 'General case' 0 C--N 1.397 2.667 0 C-N-CA 126.223 1.809 . . . . 0.0 110.152 -176.506 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . 0.418 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 40.8 t 67.95 62.63 0.4 Allowed 'General case' 0 C--N 1.38 1.905 0 N-CA-C 104.787 -2.301 . . . . 0.0 104.787 177.9 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.2 m120 84.72 -66.72 0.05 OUTLIER 'General case' 0 C--N 1.391 2.382 0 C-N-CA 127.276 2.23 . . . . 0.0 107.219 179.643 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.616 ' C ' ' HZ1' ' A' ' 24' ' ' LYS . 1.3 pt? . . . . . 0 CA--C 1.579 2.077 0 N-CA-C 102.927 -2.99 . . . . 0.0 102.927 177.868 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.491 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 23.1 mmt-85 . . . . . 0 N--CA 1.539 3.999 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 . . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.5 mt -124.81 127.96 72.97 Favored 'Isoleucine or valine' 0 C--N 1.383 2.055 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 174.289 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.6 m -132.94 178.94 6.49 Favored 'General case' 0 C--N 1.386 2.176 0 CA-C-O 121.433 0.635 . . . . 0.0 110.07 169.148 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -96.38 164.64 12.55 Favored 'General case' 0 C--N 1.378 1.841 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -174.776 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 34.3 p-10 -145.31 16.28 1.5 Allowed 'General case' 0 C--N 1.387 2.228 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.982 175.848 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.214 22.7 m-70 -70.08 -173.05 0.61 Allowed 'General case' 0 C--N 1.389 2.304 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -170.252 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.264 44.5 mt 73.5 179.47 0.22 Allowed 'General case' 0 C--N 1.391 2.373 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 175.699 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.52 -44.21 3.15 Favored Glycine 0 C--N 1.392 3.663 0 N-CA-C 115.402 0.921 . . . . 0.0 115.402 -176.402 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.6 m -161.89 -46.9 0.04 OUTLIER 'General case' 0 C--N 1.374 1.661 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 -176.363 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -101.04 142.74 25.22 Favored Pre-proline 0 C--N 1.39 2.332 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -171.42 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -58.64 166.5 6.37 Favored 'Trans proline' 0 C--N 1.402 3.382 0 C-N-CA 123.026 2.484 . . . . 0.0 114.29 170.367 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_exo -30.64 129.19 0.07 OUTLIER 'Trans proline' 0 C--N 1.398 3.147 1 C-N-CA 125.756 4.304 . . . . 0.0 115.946 -176.504 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.1 m -162.04 154.4 19.55 Favored 'General case' 0 C--N 1.39 2.365 0 N-CA-C 106.911 -1.515 . . . . 0.0 106.911 178.409 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.2 p -143.21 158.5 43.57 Favored 'General case' 0 C--N 1.382 2.015 0 C-N-CA 123.553 0.741 . . . . 0.0 111.853 -165.372 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -127.66 116.13 19.82 Favored 'General case' 0 C--N 1.387 2.231 0 CA-C-O 123.035 1.398 . . . . 0.0 110.708 -171.664 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.2 m -76.9 124.95 28.49 Favored 'General case' 0 C--N 1.39 2.361 0 N-CA-C 104.929 -2.248 . . . . 0.0 104.929 170.607 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.4 t -123.25 139.05 54.44 Favored 'General case' 0 C--N 1.385 2.13 0 CA-C-O 124.524 2.107 . . . . 0.0 110.361 -172.825 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.3 -22.0 15.79 Favored 'General case' 0 CA--C 1.569 1.701 0 C-N-CA 129.788 3.235 . . . . 0.0 110.034 174.315 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -81.31 108.27 14.8 Favored 'General case' 0 C--N 1.391 2.382 0 N-CA-C 102.401 -3.185 . . . . 0.0 102.401 171.179 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.148 66.0 m-20 -47.39 7.91 0.0 OUTLIER 'General case' 0 CA--C 1.584 2.276 1 C-N-CA 132.95 4.5 . . . . 0.0 118.6 -172.713 . . . . . . . . 4 3 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.1 t -149.91 131.35 14.74 Favored 'General case' 0 C--N 1.38 1.901 0 CA-C-N 122.186 2.267 . . . . 0.0 107.097 -178.495 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.3 p -136.4 144.11 44.33 Favored 'General case' 0 C--N 1.383 2.058 0 CA-C-O 123.288 1.518 . . . . 0.0 109.7 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -127.17 162.2 26.71 Favored 'General case' 0 C--N 1.386 2.161 0 N-CA-C 118.045 2.609 . . . . 0.0 118.045 -157.235 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.471 ' NZ ' ' OXT' ' A' ' 59' ' ' LEU . 65.7 mmtt -93.37 139.08 31.07 Favored 'General case' 0 C--N 1.398 2.677 0 CA-C-O 122.783 1.278 . . . . 0.0 107.716 166.407 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.511 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 2.6 t30 -136.03 122.86 21.21 Favored 'General case' 0 CA--C 1.575 1.938 0 N-CA-C 103.143 -2.91 . . . . 0.0 103.143 -179.359 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.29 -17.23 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.403 2.921 0 N-CA-C 117.996 2.591 . . . . 0.0 117.996 -151.428 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.551 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -81.76 -105.84 0.03 OUTLIER 'General case' 0 CA--C 1.589 2.448 1 C-N-CA 133.471 4.708 . . . . 0.0 106.694 179.219 . . . . . . . . 4 4 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 t 79.03 159.72 0.18 Allowed 'General case' 0 C--N 1.393 2.464 0 C-N-CA 125.13 1.372 . . . . 0.0 113.951 173.05 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -68.98 -39.07 79.62 Favored 'General case' 0 C--N 1.392 2.433 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.316 -179.92 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -77.36 -5.26 48.98 Favored 'General case' 0 CA--C 1.577 1.997 0 C-N-CA 127.773 2.429 . . . . 0.0 113.015 179.227 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 44.6 t30 65.34 74.1 0.39 Allowed 'General case' 0 C--N 1.397 2.66 0 CA-C-N 122.027 2.194 . . . . 0.0 106.779 173.746 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 tp -167.04 164.28 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.397 2.651 0 C-N-CA 118.06 -1.456 . . . . 0.0 113.422 -169.162 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.2 mp -100.98 100.78 11.04 Favored 'Isoleucine or valine' 0 C--N 1.39 2.365 0 N-CA-C 104.987 -2.227 . . . . 0.0 104.987 179.266 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.6 ttp85 -147.38 108.41 4.22 Favored 'General case' 0 C--N 1.386 2.179 0 N-CA-C 102.802 -3.036 . . . . 0.0 102.802 -171.145 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -140.26 -170.09 2.9 Favored 'General case' 0 C--N 1.387 2.207 0 CA-C-N 112.732 -2.031 . . . . 0.0 114.261 -154.698 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 172.64 -164.04 36.14 Favored Glycine 1 C--N 1.4 4.099 1 C-N-CA 113.206 -4.331 . . . . 0.0 122.226 -175.094 . . . . . . . . 3 2 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.1 t -87.79 111.95 21.92 Favored 'General case' 0 C--N 1.39 2.337 0 C-N-CA 126.108 1.763 . . . . 0.0 108.853 -177.156 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.54 -93.45 0.09 OUTLIER Glycine 1 C--N 1.4 4.095 0 C-N-CA 116.12 -2.943 . . . . 0.0 107.29 173.758 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.362 43.0 t 82.0 -55.31 0.24 Allowed 'General case' 0 C--N 1.386 2.161 0 C-N-CA 124.963 1.305 . . . . 0.0 112.203 174.801 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 . . . . . 0 C--N 1.388 2.252 0 N-CA-C 107.008 -1.478 . . . . 0.0 107.008 -167.896 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 2.184 0 CA-C-O 122.113 0.841 . . . . 0.0 114.115 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -85.01 168.49 10.59 Favored 'Trans proline' 0 C--N 1.382 2.321 0 C-N-CA 122.821 2.347 . . . . 0.0 111.228 179.416 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -84.8 114.5 22.12 Favored 'General case' 0 CA--C 1.577 2.012 0 N-CA-C 101.742 -3.429 . . . . 0.0 101.742 177.077 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 17.7 m -112.33 156.81 21.83 Favored 'General case' 0 C--N 1.396 2.618 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 -165.916 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.5 t -129.88 159.31 36.99 Favored 'General case' 0 C--N 1.383 2.033 0 CA-C-N 113.322 -1.763 . . . . 0.0 110.418 176.442 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -128.23 46.08 2.65 Favored 'General case' 0 C--N 1.375 1.688 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.298 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.4 p -153.12 175.17 13.31 Favored 'General case' 0 C--N 1.385 2.133 0 CA-C-O 121.561 0.696 . . . . 0.0 111.395 179.172 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.463 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 16.1 t0 -74.08 109.84 7.9 Favored 'General case' 0 CA--C 1.582 2.209 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 -175.929 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.463 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 10.3 mptt 73.37 -53.09 0.7 Allowed 'General case' 0 C--N 1.395 2.586 0 C-N-CA 127.802 2.441 . . . . 0.0 114.304 173.337 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 56.43 51.95 10.68 Favored 'General case' 0 CA--C 1.581 2.163 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 -177.933 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.6 m120 63.79 79.21 0.26 Allowed 'General case' 0 C--N 1.392 2.451 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 177.344 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.471 ' OXT' ' NZ ' ' A' ' 24' ' ' LYS . 86.9 mt . . . . . 0 CA--C 1.599 2.859 0 C-N-CA 126.14 1.776 . . . . 0.0 112.692 170.51 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 1 N--CA 1.552 4.645 0 CA-C-O 117.888 -1.053 . . . . 0.0 108.91 . . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.1 mt -93.95 144.11 10.26 Favored 'Isoleucine or valine' 0 C--N 1.397 2.67 0 CA-C-N 120.655 1.57 . . . . 0.0 110.773 -179.001 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.2 m -147.96 166.43 27.71 Favored 'General case' 0 C--N 1.388 2.28 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.907 167.607 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -75.14 165.95 24.41 Favored 'General case' 0 C--N 1.387 2.198 0 CA-C-O 122.035 0.921 . . . . 0.0 112.277 177.135 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -161.71 50.43 0.22 Allowed 'General case' 0 C--N 1.382 2.006 0 N-CA-C 104.219 -2.512 . . . . 0.0 104.219 168.504 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.194 4.4 m170 -89.46 -147.03 0.17 Allowed 'General case' 0 C--N 1.387 2.196 0 C-N-CA 124.972 1.309 . . . . 0.0 108.76 177.048 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.282 0.3 OUTLIER 62.66 -175.12 0.15 Allowed 'General case' 0 C--N 1.386 2.179 0 CA-C-O 122.359 1.076 . . . . 0.0 113.785 170.21 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.51 -55.43 4.47 Favored Glycine 0 C--N 1.388 3.445 0 N-CA-C 109.516 -1.433 . . . . 0.0 109.516 -171.41 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.3 m -163.05 -43.79 0.03 OUTLIER 'General case' 0 C--N 1.378 1.83 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 -177.609 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.2 mmtt -107.16 129.6 24.09 Favored Pre-proline 0 C--N 1.388 2.271 0 C-N-CA 123.076 0.551 . . . . 0.0 111.22 -173.915 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -97.16 5.14 1.56 Allowed 'Trans proline' 0 CA--C 1.6 3.789 0 N-CA-C 119.883 2.993 . . . . 0.0 119.883 -176.366 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -91.8 -19.96 0.72 Allowed 'Trans proline' 0 C--N 1.406 3.557 1 N-CA-C 124.21 4.658 . . . . 0.0 124.21 -175.148 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.1 p -89.85 141.9 28.2 Favored 'General case' 0 C--N 1.392 2.423 0 CA-C-N 123.539 2.881 . . . . 0.0 116.197 -172.402 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.8 p -130.59 140.24 50.44 Favored 'General case' 0 C--N 1.38 1.904 0 CA-C-N 113.088 -1.869 . . . . 0.0 106.42 173.318 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -103.93 118.08 35.84 Favored 'General case' 0 C--N 1.381 1.943 0 CA-C-O 121.309 0.576 . . . . 0.0 109.747 -172.027 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 54.5 m -84.97 109.42 18.16 Favored 'General case' 0 C--N 1.388 2.273 0 N-CA-C 103.068 -2.938 . . . . 0.0 103.068 173.237 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.3 t -114.5 150.5 34.76 Favored 'General case' 0 C--N 1.394 2.539 0 CA-C-O 123.494 1.616 . . . . 0.0 113.364 -168.168 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -81.25 -3.36 52.17 Favored 'General case' 0 C--N 1.382 1.983 0 CA-C-N 112.995 -1.912 . . . . 0.0 112.595 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -100.47 137.16 39.26 Favored 'General case' 0 C--N 1.388 2.26 0 CA-C-O 123.917 1.817 . . . . 0.0 109.281 -178.313 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.145 24.0 m-20 -45.38 -44.19 11.69 Favored 'General case' 0 C--N 1.38 1.899 0 C-N-CA 128.332 2.653 . . . . 0.0 111.048 -176.052 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.7 t -129.08 147.47 50.94 Favored 'General case' 0 C--N 1.391 2.377 0 CA-C-O 123.611 1.672 . . . . 0.0 113.018 -174.738 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.266 26.1 p -136.08 155.84 49.6 Favored 'General case' 0 C--N 1.388 2.275 0 CA-C-N 114.409 -1.268 . . . . 0.0 112.81 179.81 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -132.67 155.79 48.14 Favored 'General case' 0 C--N 1.391 2.405 0 N-CA-C 116.693 2.109 . . . . 0.0 116.693 -159.078 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.21 124.33 45.51 Favored 'General case' 0 C--N 1.394 2.508 0 CA-C-N 113.619 -1.628 . . . . 0.0 108.394 178.241 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.426 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 0.8 OUTLIER -118.98 115.45 24.37 Favored 'General case' 0 CA--C 1.591 2.522 0 N-CA-C 102.555 -3.128 . . . . 0.0 102.555 -178.69 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -119.63 -26.49 2.39 Favored 'Isoleucine or valine' 0 C--N 1.402 2.876 0 N-CA-C 117.843 2.534 . . . . 0.0 117.843 -155.666 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.582 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -63.16 -104.6 0.0 OUTLIER 'General case' 0 CA--C 1.599 2.837 1 C-N-CA 132.226 4.211 . . . . 0.0 106.866 168.221 . . . . . . . . 4 4 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.4 t 76.54 158.55 0.2 Allowed 'General case' 0 C--N 1.393 2.479 0 C-N-CA 126.31 1.844 . . . . 0.0 111.103 178.629 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -62.86 -44.12 96.97 Favored 'General case' 0 C--N 1.388 2.252 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.035 173.582 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -73.93 -2.06 22.37 Favored 'General case' 0 CA--C 1.581 2.172 0 CA-C-O 116.152 -1.88 . . . . 0.0 114.357 -178.385 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.0 t30 61.86 71.23 0.55 Allowed 'General case' 0 C--N 1.397 2.66 0 CA-C-N 124.014 3.097 . . . . 0.0 105.772 177.009 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.1 tp -166.92 158.08 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.391 2.373 0 C-N-CA 117.584 -1.646 . . . . 0.0 111.786 -173.129 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 52.0 mt -92.63 90.94 3.21 Favored 'Isoleucine or valine' 0 C--N 1.388 2.254 0 N-CA-C 103.644 -2.724 . . . . 0.0 103.644 176.902 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.44 124.86 16.61 Favored 'General case' 0 C--N 1.384 2.07 0 N-CA-C 102.657 -3.09 . . . . 0.0 102.657 -176.11 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.29 -164.8 1.2 Allowed 'General case' 0 C--N 1.391 2.393 0 CA-C-N 112.886 -1.961 . . . . 0.0 112.442 -149.4 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -166.37 -167.16 26.61 Favored Glycine 0 C--N 1.391 3.601 1 C-N-CA 112.437 -4.697 . . . . 0.0 119.194 -170.251 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.1 t -102.72 116.73 33.15 Favored 'General case' 0 C--N 1.379 1.885 0 CA-C-N 112.06 -2.07 . . . . 0.0 108.746 -173.947 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.79 -81.9 0.05 OUTLIER Glycine 0 C--N 1.397 3.937 0 C-N-CA 115.698 -3.144 . . . . 0.0 106.36 178.326 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.37 41.9 t 82.36 -53.85 0.22 Allowed 'General case' 0 C--N 1.384 2.069 0 CA-C-N 113.275 -1.462 . . . . 0.0 108.934 -178.949 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 . . . . . 0 C--N 1.38 1.908 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 -168.714 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.559 2.805 0 N-CA-C 114.666 0.627 . . . . 0.0 114.666 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 0.6 OUTLIER -62.19 169.84 7.22 Favored 'Trans proline' 0 C--N 1.392 2.83 0 C-N-CA 122.545 2.163 . . . . 0.0 115.331 174.451 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -103.61 137.16 42.06 Favored 'General case' 0 C--N 1.384 2.102 0 CA-C-N 114.443 -1.253 . . . . 0.0 109.298 179.935 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.2 m -119.36 157.14 28.76 Favored 'General case' 0 C--N 1.395 2.573 0 N-CA-C 117.849 2.537 . . . . 0.0 117.849 -165.065 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.8 t -128.11 151.12 49.59 Favored 'General case' 0 C--N 1.384 2.07 0 CA-C-N 113.139 -1.846 . . . . 0.0 108.189 170.692 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.17 34.49 5.2 Favored 'General case' 0 C--N 1.379 1.866 0 O-C-N 120.753 -1.217 . . . . 0.0 111.407 -176.393 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.2 t -137.7 -178.05 5.07 Favored 'General case' 0 C--N 1.38 1.901 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.277 178.17 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.414 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 0.9 OUTLIER -79.64 102.46 8.94 Favored 'General case' 0 C--N 1.382 1.989 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 -169.416 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.414 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 3.2 mppt? 73.52 -54.98 0.68 Allowed 'General case' 0 C--N 1.394 2.502 0 C-N-CA 126.396 1.878 . . . . 0.0 110.971 -179.588 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.25 75.1 m 78.55 -50.44 0.47 Allowed 'General case' 0 C--N 1.381 1.956 0 C-N-CA 129.043 2.937 . . . . 0.0 108.111 -176.032 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -164.2 -82.22 0.03 OUTLIER 'General case' 0 C--N 1.387 2.198 0 N-CA-C 104.282 -2.488 . . . . 0.0 104.282 176.571 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.1 tp . . . . . 0 CA--C 1.575 1.908 1 N-CA-C 98.95 -4.463 . . . . 0.0 98.95 177.284 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.529 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.536 3.854 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 . . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 27.9 mt -87.02 119.58 35.03 Favored 'Isoleucine or valine' 0 C--N 1.395 2.544 0 CA-C-O 122.253 1.025 . . . . 0.0 109.696 -169.226 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.5 m -138.96 136.8 35.8 Favored 'General case' 0 C--N 1.388 2.249 0 N-CA-C 106.4 -1.704 . . . . 0.0 106.4 175.837 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -76.67 159.57 30.11 Favored 'General case' 0 C--N 1.389 2.322 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -163.099 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 51.1 p-10 -147.18 37.3 0.94 Allowed 'General case' 0 C--N 1.393 2.465 0 C-N-CA 118.704 -1.199 . . . . 0.0 109.53 179.786 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.221 6.8 m170 -78.42 -143.69 0.03 OUTLIER 'General case' 0 CA--C 1.585 2.321 0 C-N-CA 125.03 1.332 . . . . 0.0 109.758 -179.329 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.323 5.4 mp 68.17 179.96 0.23 Allowed 'General case' 0 C--N 1.393 2.499 0 O-C-N 120.321 -1.487 . . . . 0.0 113.902 173.192 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.97 -63.94 3.97 Favored Glycine 0 C--N 1.39 3.552 0 N-CA-C 108.741 -1.744 . . . . 0.0 108.741 -169.705 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.6 m -161.43 -45.88 0.04 OUTLIER 'General case' 0 C--N 1.379 1.874 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 -179.58 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -96.03 124.91 50.35 Favored Pre-proline 0 C--N 1.385 2.116 0 CA-C-O 118.555 -0.736 . . . . 0.0 109.046 -177.336 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -101.86 -4.13 0.36 Allowed 'Trans proline' 0 C--N 1.409 3.745 0 CA-C-O 114.922 -2.199 . . . . 0.0 117.502 -179.271 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -73.86 -17.82 22.35 Favored 'Trans proline' 0 C--N 1.401 3.293 1 N-CA-C 123.767 4.487 . . . . 0.0 123.767 -176.619 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.1 p -97.9 154.48 17.62 Favored 'General case' 0 C--N 1.394 2.508 0 CA-C-N 124.691 3.405 . . . . 0.0 115.64 -174.206 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.9 p -135.16 148.59 49.76 Favored 'General case' 0 C--N 1.376 1.73 0 CA-C-N 111.728 -2.487 . . . . 0.0 109.319 -179.536 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -102.27 103.2 13.67 Favored 'General case' 0 C--N 1.38 1.929 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 -170.542 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 36.8 m -86.89 105.62 17.19 Favored 'General case' 0 C--N 1.388 2.254 0 N-CA-C 102.979 -2.971 . . . . 0.0 102.979 179.574 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.3 t -115.32 154.87 28.35 Favored 'General case' 0 C--N 1.396 2.614 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -164.287 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -95.67 -29.89 14.06 Favored 'General case' 0 C--N 1.382 1.98 0 CA-C-N 112.873 -1.967 . . . . 0.0 111.247 177.118 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -74.67 111.57 10.0 Favored 'General case' 0 CA--C 1.583 2.232 0 N-CA-C 103.694 -2.706 . . . . 0.0 103.694 175.353 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.092 76.8 m-20 -54.43 -8.58 0.23 Allowed 'General case' 0 C--N 1.389 2.314 0 C-N-CA 128.289 2.635 . . . . 0.0 116.658 -174.919 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.8 t -118.36 133.48 55.84 Favored 'General case' 0 C--N 1.381 1.941 0 CA-C-N 120.401 1.455 . . . . 0.0 107.929 -179.451 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.8 p -133.55 146.66 51.24 Favored 'General case' 0 C--N 1.381 1.949 0 CA-C-O 123.775 1.75 . . . . 0.0 109.886 178.373 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -130.77 143.85 51.03 Favored 'General case' 0 C--N 1.385 2.145 0 CA-C-N 113.058 -1.883 . . . . 0.0 114.805 -155.933 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.4 ' HZ1' ' C ' ' A' ' 58' ' ' ASN . 0.0 OUTLIER -92.35 116.98 29.45 Favored 'General case' 0 C--N 1.388 2.275 0 N-CA-C 105.812 -1.921 . . . . 0.0 105.812 178.318 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.477 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 5.5 t30 -119.81 123.24 43.2 Favored 'General case' 0 CA--C 1.587 2.384 0 N-CA-C 104.637 -2.357 . . . . 0.0 104.637 -178.309 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 pp -132.96 4.53 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.402 2.848 0 N-CA-C 118.233 2.679 . . . . 0.0 118.233 -148.165 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.577 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -112.84 -104.18 0.4 Allowed 'General case' 0 CA--C 1.576 1.967 1 C-N-CA 132.74 4.416 . . . . 0.0 103.818 -172.61 . . . . . . . . 4 4 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.7 t 73.15 161.48 0.25 Allowed 'General case' 0 C--N 1.39 2.362 0 CA-C-O 122.074 0.94 . . . . 0.0 110.589 179.888 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -62.06 -28.5 69.64 Favored 'General case' 0 C--N 1.387 2.197 0 O-C-N 121.607 -0.683 . . . . 0.0 111.727 178.727 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -93.59 10.63 31.84 Favored 'General case' 0 CA--C 1.578 2.046 0 C-N-CA 127.826 2.45 . . . . 0.0 114.226 -176.047 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.5 t30 49.35 64.95 1.54 Allowed 'General case' 0 C--N 1.394 2.526 0 CA-C-N 121.666 2.03 . . . . 0.0 106.266 176.377 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 tp -146.81 171.78 3.48 Favored 'Isoleucine or valine' 0 C--N 1.386 2.159 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.739 -169.076 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . 0.252 16.8 mt -111.08 98.43 7.04 Favored 'Isoleucine or valine' 0 C--N 1.389 2.297 0 N-CA-C 105.465 -2.05 . . . . 0.0 105.465 174.713 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.76 108.44 4.67 Favored 'General case' 0 C--N 1.381 1.956 0 N-CA-C 100.611 -3.848 . . . . 0.0 100.611 -174.951 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -141.51 -175.84 4.51 Favored 'General case' 0 C--N 1.374 1.66 0 CA-C-N 109.548 -3.478 . . . . 0.0 111.727 -153.704 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -161.5 -159.19 9.9 Favored Glycine 0 C--N 1.391 3.589 0 C-N-CA 113.965 -3.969 . . . . 0.0 117.147 -168.661 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.8 t -130.41 117.95 20.47 Favored 'General case' 0 CA--C 1.575 1.929 0 CA-C-O 123.075 1.417 . . . . 0.0 109.156 -179.885 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.33 -79.96 0.05 OUTLIER Glycine 0 C--N 1.388 3.442 1 N-CA-C 102.025 -4.43 . . . . 0.0 102.025 175.058 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.482 42.0 t 65.55 -149.79 0.24 Allowed 'General case' 0 C--N 1.389 2.286 0 N-CA-C 116.374 1.991 . . . . 0.0 116.374 167.834 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 . . . . . 0 C--N 1.389 2.283 0 CA-C-N 113.553 -1.658 . . . . 0.0 106.525 -178.918 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.559 2.841 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -55.46 161.33 7.58 Favored 'Trans proline' 0 C--N 1.393 2.899 0 N-CA-C 108.155 -1.517 . . . . 0.0 108.155 165.922 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -91.77 115.47 28.08 Favored 'General case' 0 C--N 1.379 1.887 0 N-CA-C 104.623 -2.362 . . . . 0.0 104.623 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.7 m -118.06 118.97 33.36 Favored 'General case' 0 C--N 1.392 2.429 0 CA-C-O 123.3 1.524 . . . . 0.0 109.553 -166.936 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 36.3 t -97.1 174.98 6.47 Favored 'General case' 0 C--N 1.379 1.89 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.214 173.498 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.27 42.52 2.73 Favored 'General case' 0 C--N 1.385 2.142 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -169.757 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.1 t -172.73 106.35 0.16 Allowed 'General case' 0 C--N 1.388 2.244 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 174.543 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.51 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 8.1 t0 64.84 -167.54 0.22 Allowed 'General case' 0 C--N 1.389 2.294 0 CA-C-O 122.655 1.217 . . . . 0.0 110.595 179.276 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.51 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.271 0.0 OUTLIER -55.62 -40.84 72.65 Favored 'General case' 0 C--N 1.385 2.149 0 CA-C-O 116.316 -1.802 . . . . 0.0 111.941 -177.82 . . . . . . . . 4 4 . 1 . 035 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 52.4 t 45.48 67.73 0.68 Allowed 'General case' 0 C--N 1.384 2.084 0 CA-C-N 121.084 1.766 . . . . 0.0 107.49 174.759 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.4 ' C ' ' HZ1' ' A' ' 24' ' ' LYS . 5.9 m120 86.45 65.92 0.01 OUTLIER 'General case' 0 C--N 1.392 2.435 0 C-N-CA 125.439 1.496 . . . . 0.0 110.245 169.116 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.6 tp . . . . . 0 CA--C 1.587 2.388 0 C-N-CA 126.104 1.762 . . . . 0.0 107.74 175.759 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.443 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.531 3.614 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 . . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.5 mp -83.85 118.11 30.67 Favored 'Isoleucine or valine' 0 C--N 1.392 2.446 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -176.336 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.2 p -143.13 148.09 36.03 Favored 'General case' 0 C--N 1.384 2.072 0 CA-C-O 122.799 1.285 . . . . 0.0 109.166 168.514 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.9 m-30 -87.43 177.59 7.06 Favored 'General case' 0 C--N 1.389 2.317 0 N-CA-C 115.804 1.779 . . . . 0.0 115.804 -160.506 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 35.4 p-10 -149.08 44.97 0.99 Allowed 'General case' 0 C--N 1.387 2.233 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 172.784 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.184 12.1 m170 -81.29 -162.51 0.51 Allowed 'General case' 0 C--N 1.389 2.308 0 C-N-CA 127.795 2.438 . . . . 0.0 114.514 -175.911 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.352 3.1 mp 69.59 -171.28 0.17 Allowed 'General case' 0 C--N 1.388 2.256 0 C-N-CA 124.979 1.312 . . . . 0.0 113.284 174.927 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.89 -53.47 4.25 Favored Glycine 0 C--N 1.386 3.312 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 -170.575 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.0 m -169.75 -49.16 0.02 OUTLIER 'General case' 0 C--N 1.382 1.982 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 -171.768 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -100.26 130.52 25.76 Favored Pre-proline 0 CA--C 1.579 2.077 0 CA-C-O 118.476 -0.773 . . . . 0.0 110.18 -177.018 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -97.65 -9.39 0.65 Allowed 'Trans proline' 0 C--N 1.412 3.918 0 N-CA-C 118.438 2.438 . . . . 0.0 118.438 -179.359 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -86.67 -16.82 3.56 Favored 'Trans proline' 0 C--N 1.401 3.34 1 N-CA-C 125.015 4.967 . . . . 0.0 125.015 -174.442 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.7 p -79.42 150.43 31.31 Favored 'General case' 0 C--N 1.395 2.55 0 CA-C-N 124.895 3.498 . . . . 0.0 114.913 -173.181 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 61.2 p -142.27 159.23 42.64 Favored 'General case' 0 C--N 1.383 2.04 0 CA-C-N 111.552 -2.567 . . . . 0.0 111.298 -170.47 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -129.42 103.31 6.83 Favored 'General case' 0 C--N 1.386 2.162 0 CA-C-O 123.031 1.396 . . . . 0.0 107.353 -176.102 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 79.2 m -76.43 106.29 7.98 Favored 'General case' 0 C--N 1.392 2.445 0 N-CA-C 102.208 -3.256 . . . . 0.0 102.208 173.481 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.8 t -116.23 153.32 32.08 Favored 'General case' 0 C--N 1.385 2.144 0 O-C-N 121.493 -0.754 . . . . 0.0 111.65 -169.651 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -105.46 26.5 9.38 Favored 'General case' 0 C--N 1.383 2.035 0 C-N-CA 124.47 1.108 . . . . 0.0 111.048 176.338 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.437 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 45.7 mt-10 -110.75 114.92 28.66 Favored 'General case' 0 C--N 1.383 2.023 0 N-CA-C 101.296 -3.594 . . . . 0.0 101.296 171.259 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.175 72.6 m-20 -57.32 1.3 0.04 OUTLIER 'General case' 0 CA--C 1.584 2.281 0 N-CA-C 116.645 2.091 . . . . 0.0 116.645 -171.453 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.2 m -151.54 155.95 39.53 Favored 'General case' 0 C--N 1.381 1.969 0 CA-C-N 121.094 1.77 . . . . 0.0 108.955 -178.734 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.8 p -149.09 153.29 37.57 Favored 'General case' 0 C--N 1.382 2.018 0 C-N-CA 117.611 -1.636 . . . . 0.0 112.526 -177.569 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -112.67 144.07 42.81 Favored 'General case' 0 C--N 1.384 2.078 0 CA-C-O 123.33 1.538 . . . . 0.0 112.612 -162.179 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.45 ' NZ ' ' O ' ' A' ' 58' ' ' ASN . 14.8 mtpp -100.42 115.69 30.63 Favored 'General case' 0 C--N 1.383 2.046 0 N-CA-C 104.484 -2.413 . . . . 0.0 104.484 177.141 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.479 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 2.4 t30 -115.34 123.98 50.11 Favored 'General case' 0 CA--C 1.578 2.039 0 N-CA-C 102.445 -3.169 . . . . 0.0 102.445 -176.291 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -135.43 -6.33 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.405 3.003 0 N-CA-C 117.94 2.57 . . . . 0.0 117.94 -147.064 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.55 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -87.89 -105.46 0.07 Allowed 'General case' 0 CA--C 1.578 2.032 1 C-N-CA 131.991 4.116 . . . . 0.0 106.237 -177.793 . . . . . . . . 4 4 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.0 t 75.18 160.42 0.23 Allowed 'General case' 0 C--N 1.391 2.385 0 C-N-CA 123.952 0.901 . . . . 0.0 111.627 178.874 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -67.13 -35.93 80.8 Favored 'General case' 0 C--N 1.389 2.313 0 O-C-N 121.437 -0.789 . . . . 0.0 112.168 -179.247 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -83.02 -9.53 59.22 Favored 'General case' 0 CA--C 1.568 1.658 0 C-N-CA 129.093 2.957 . . . . 0.0 113.002 -179.072 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 69.97 79.47 0.19 Allowed 'General case' 0 C--N 1.393 2.491 0 CA-C-N 122.28 2.309 . . . . 0.0 105.409 179.259 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 tp -159.35 157.23 3.21 Favored 'Isoleucine or valine' 0 C--N 1.391 2.396 0 C-N-CA 118.308 -1.357 . . . . 0.0 112.138 -173.492 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.2 mt -92.79 112.22 25.77 Favored 'Isoleucine or valine' 0 C--N 1.389 2.285 0 N-CA-C 104.372 -2.455 . . . . 0.0 104.372 170.741 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.61 115.49 3.98 Favored 'General case' 0 C--N 1.382 1.993 0 N-CA-C 100.848 -3.76 . . . . 0.0 100.848 -177.46 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.2 -168.48 2.63 Favored 'General case' 0 C--N 1.388 2.282 0 CA-C-N 113.565 -1.652 . . . . 0.0 113.304 -153.772 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -165.75 -171.25 31.72 Favored Glycine 0 C--N 1.394 3.795 1 C-N-CA 113.417 -4.23 . . . . 0.0 119.335 -176.507 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.437 ' SG ' ' HB2' ' A' ' 19' ' ' GLU . 50.9 t -83.92 116.53 22.83 Favored 'General case' 0 C--N 1.384 2.102 0 CA-C-N 113.241 -1.479 . . . . 0.0 108.649 -174.872 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.25 -95.73 0.1 Allowed Glycine 1 C--N 1.4 4.136 0 C-N-CA 116.832 -2.604 . . . . 0.0 106.865 179.874 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.376 42.7 t 83.61 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.386 2.181 0 CA-C-O 122.236 1.017 . . . . 0.0 109.019 178.448 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 CA--C 1.587 2.399 0 N-CA-C 103.186 -2.894 . . . . 0.0 103.186 179.382 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 2.61 0 CA-C-O 121.996 0.775 . . . . 0.0 114.04 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -50.04 146.41 17.31 Favored 'Trans proline' 0 C--N 1.39 2.763 0 N-CA-C 107.223 -1.876 . . . . 0.0 107.223 167.69 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -75.78 155.09 35.81 Favored 'General case' 0 C--N 1.393 2.457 0 CA-C-N 114.52 -1.218 . . . . 0.0 111.353 -178.186 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 2.8 m -118.76 161.57 19.91 Favored 'General case' 0 C--N 1.389 2.289 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 -166.606 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.8 t -141.9 140.17 32.77 Favored 'General case' 0 C--N 1.379 1.886 0 CA-C-N 112.283 -2.235 . . . . 0.0 107.537 174.686 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -130.26 64.11 1.54 Allowed 'General case' 0 C--N 1.375 1.713 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 -176.654 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.0 m -160.0 76.12 0.62 Allowed 'General case' 0 C--N 1.386 2.169 0 N-CA-C 104.901 -2.259 . . . . 0.0 104.901 -175.969 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.557 ' CG ' ' HZ3' ' A' ' 56' ' ' LYS . 21.9 t0 58.38 -148.74 0.47 Allowed 'General case' 0 CA--C 1.589 2.444 0 CA-C-O 123.697 1.713 . . . . 0.0 107.926 177.874 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.557 ' HZ3' ' CG ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -60.46 -30.32 69.59 Favored 'General case' 0 C--N 1.382 1.989 0 CA-C-N 114.263 -1.335 . . . . 0.0 111.61 179.876 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.4 t 51.37 59.29 4.7 Favored 'General case' 0 C--N 1.387 2.221 0 CA-C-N 121.08 1.764 . . . . 0.0 107.26 177.479 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.45 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 25.6 m120 52.17 71.21 0.48 Allowed 'General case' 0 C--N 1.388 2.247 0 C-N-CA 127.325 2.25 . . . . 0.0 108.785 170.802 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.424 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 18.3 mt . . . . . 0 CA--C 1.587 2.368 0 C-N-CA 129.527 3.131 . . . . 0.0 108.173 173.96 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.467 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 1 N--CA 1.543 4.203 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 . . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -92.55 131.04 40.72 Favored 'Isoleucine or valine' 0 C--N 1.39 2.335 0 CA-C-N 119.379 0.99 . . . . 0.0 109.851 -174.579 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.0 m -136.9 158.17 45.07 Favored 'General case' 0 C--N 1.392 2.421 0 CA-C-O 121.858 0.837 . . . . 0.0 109.121 164.29 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -80.08 161.88 25.1 Favored 'General case' 0 C--N 1.382 2.021 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 -171.176 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -144.74 58.68 1.31 Allowed 'General case' 0 C--N 1.389 2.297 0 N-CA-C 103.215 -2.883 . . . . 0.0 103.215 164.129 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.145 14.5 m170 -108.87 -170.95 1.75 Allowed 'General case' 0 C--N 1.386 2.19 0 C-N-CA 128.458 2.703 . . . . 0.0 113.276 -174.789 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.284 14.9 mt 72.2 -166.62 0.13 Allowed 'General case' 0 C--N 1.38 1.907 0 CA-C-O 123.009 1.385 . . . . 0.0 113.123 174.129 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.33 46.4 93.0 Favored Glycine 0 C--N 1.38 2.983 0 N-CA-C 109.154 -1.578 . . . . 0.0 109.154 -171.978 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.43 HG23 ' HZ3' ' A' ' 10' ' ' LYS . 13.7 m 109.56 -40.33 0.01 OUTLIER 'General case' 0 C--N 1.39 2.344 1 C-N-CA 131.872 4.069 . . . . 0.0 110.835 173.871 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.43 ' HZ3' HG23 ' A' ' 9' ' ' THR . 13.3 mptt -121.3 127.15 26.27 Favored Pre-proline 0 CA--C 1.584 2.272 0 CA-C-N 118.746 0.703 . . . . 0.0 112.249 -170.911 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -96.8 1.06 1.82 Allowed 'Trans proline' 0 C--N 1.407 3.612 0 N-CA-C 118.811 2.581 . . . . 0.0 118.811 -179.385 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -73.37 -17.62 23.85 Favored 'Trans proline' 0 C--N 1.403 3.437 1 N-CA-C 124.513 4.774 . . . . 0.0 124.513 -175.455 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.5 p -100.18 147.46 25.68 Favored 'General case' 0 C--N 1.396 2.605 0 CA-C-N 125.585 3.811 . . . . 0.0 116.136 -176.689 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 41.2 p -138.37 152.15 48.16 Favored 'General case' 0 C--N 1.383 2.032 0 CA-C-N 112.111 -2.313 . . . . 0.0 110.251 176.336 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -109.56 93.88 4.74 Favored 'General case' 0 C--N 1.381 1.94 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 -176.51 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.2 m -68.58 114.41 6.95 Favored 'General case' 0 C--N 1.398 2.682 0 N-CA-C 102.786 -3.042 . . . . 0.0 102.786 169.936 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -118.9 150.79 39.29 Favored 'General case' 0 C--N 1.394 2.542 0 CA-C-O 123.723 1.725 . . . . 0.0 114.884 -166.03 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -94.5 -11.05 30.4 Favored 'General case' 0 CA--C 1.578 2.032 0 CA-C-N 111.757 -2.474 . . . . 0.0 110.997 176.596 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -94.5 127.47 40.44 Favored 'General case' 0 C--N 1.397 2.634 0 N-CA-C 106.292 -1.744 . . . . 0.0 106.292 174.84 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.467 ' OD2' ' N ' ' A' ' 1' ' ' ARG 2.15 73.4 m-20 -62.5 -6.22 3.22 Favored 'General case' 0 C--N 1.389 2.295 0 C-N-CA 129.431 3.092 . . . . 0.0 118.332 -169.712 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.4 m -150.44 152.15 33.85 Favored 'General case' 0 C--N 1.375 1.697 0 CA-C-O 123.258 1.504 . . . . 0.0 108.126 -178.157 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.0 p -136.2 154.24 51.0 Favored 'General case' 0 C--N 1.378 1.81 0 CA-C-N 113.671 -1.604 . . . . 0.0 112.218 -178.057 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -114.13 122.02 45.57 Favored 'General case' 0 C--N 1.38 1.918 0 CA-C-N 113.682 -1.599 . . . . 0.0 108.895 -167.2 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -80.79 128.04 33.2 Favored 'General case' 0 C--N 1.397 2.67 0 CA-C-O 124.481 2.086 . . . . 0.0 105.844 172.987 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -115.89 102.63 9.85 Favored 'General case' 0 CA--C 1.574 1.889 1 N-CA-C 97.193 -5.114 . . . . 0.0 97.193 -179.149 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -111.63 21.75 5.62 Favored 'Isoleucine or valine' 0 C--N 1.388 2.252 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 -159.188 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.503 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -140.7 -88.48 0.17 Allowed 'General case' 0 CA--C 1.568 1.664 0 C-N-CA 131.416 3.886 . . . . 0.0 102.996 -167.678 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.274 11.4 t 79.35 -100.24 0.02 OUTLIER 'General case' 0 C--N 1.387 2.216 0 C-N-CA 126.902 2.081 . . . . 0.0 106.313 173.134 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -153.77 48.59 0.65 Allowed 'General case' 0 C--N 1.393 2.471 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 172.637 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -172.41 -34.07 0.01 OUTLIER 'General case' 0 C--N 1.394 2.534 0 C-N-CA 118.105 -1.438 . . . . 0.0 112.157 -167.007 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 93.59 70.25 0.0 OUTLIER 'General case' 0 C--N 1.386 2.162 0 C-N-CA 127.306 2.243 . . . . 0.0 105.066 -178.438 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 tp -155.56 161.25 2.1 Favored 'Isoleucine or valine' 0 C--N 1.388 2.261 0 C-N-CA 120.356 -0.538 . . . . 0.0 111.18 -173.382 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 25.6 mm -89.23 102.94 13.54 Favored 'Isoleucine or valine' 0 C--N 1.393 2.491 0 N-CA-C 105.375 -2.083 . . . . 0.0 105.375 171.122 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.02 112.9 5.74 Favored 'General case' 0 C--N 1.385 2.117 0 N-CA-C 102.578 -3.119 . . . . 0.0 102.578 178.835 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.36 -175.41 5.2 Favored 'General case' 0 C--N 1.398 2.711 0 C-N-CA 116.766 -1.973 . . . . 0.0 116.25 -154.594 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -124.79 167.2 17.18 Favored Glycine 1 C--N 1.399 4.037 0 N-CA-C 118.679 2.232 . . . . 0.0 118.679 -168.448 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.2 t -110.32 110.6 21.46 Favored 'General case' 0 C--N 1.386 2.178 0 N-CA-C 105.962 -1.866 . . . . 0.0 105.962 176.729 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.56 -72.5 0.03 OUTLIER Glycine 0 C--N 1.392 3.684 0 N-CA-C 105.049 -3.22 . . . . 0.0 105.049 178.201 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.531 ' SG ' ' N ' ' A' ' 40' ' ' PHE 2.394 43.0 t 77.15 -166.35 0.05 Allowed 'General case' 0 C--N 1.387 2.203 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 173.821 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.531 ' N ' ' SG ' ' A' ' 39' ' ' CYS . 9.0 m-85 . . . . . 0 C--N 1.38 1.915 0 CA-C-N 112.822 -1.99 . . . . 0.0 109.307 174.184 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.557 2.683 0 N-CA-C 114.532 0.573 . . . . 0.0 114.532 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -53.02 141.33 57.38 Favored 'Trans proline' 0 C--N 1.402 3.392 0 N-CA-C 104.183 -3.045 . . . . 0.0 104.183 166.27 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -76.97 154.27 33.73 Favored 'General case' 0 C--N 1.385 2.115 0 CA-C-N 114.237 -1.347 . . . . 0.0 111.921 -177.45 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 40.0 m -125.38 142.51 51.46 Favored 'General case' 0 C--N 1.388 2.279 0 CA-C-O 124.172 1.939 . . . . 0.0 114.01 -171.155 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 42.0 t -120.06 161.01 21.68 Favored 'General case' 0 C--N 1.378 1.831 0 CA-C-N 112.54 -2.118 . . . . 0.0 110.197 176.661 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -138.06 55.07 1.78 Allowed 'General case' 0 C--N 1.378 1.805 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.229 -176.237 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 65.4 p -139.8 172.12 13.23 Favored 'General case' 0 C--N 1.384 2.098 0 C-N-CA 122.914 0.486 . . . . 0.0 111.224 176.053 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.431 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 30.3 t0 -68.93 124.41 23.65 Favored 'General case' 0 C--N 1.394 2.502 0 N-CA-C 105.686 -1.968 . . . . 0.0 105.686 174.816 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.431 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 38.9 mmtm 76.09 -63.67 0.38 Allowed 'General case' 0 C--N 1.39 2.336 0 C-N-CA 126.468 1.907 . . . . 0.0 112.833 172.328 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 56.6 m 79.42 27.22 0.38 Allowed 'General case' 0 CA--C 1.581 2.139 0 C-N-CA 126.688 1.995 . . . . 0.0 110.813 -174.217 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.8 t30 62.83 75.97 0.38 Allowed 'General case' 0 C--N 1.392 2.452 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 176.369 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 CA--C 1.591 2.528 0 N-CA-C 105.587 -2.005 . . . . 0.0 105.587 -177.189 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.695 ' H3 ' ' CG ' ' A' ' 20' ' ' ASP . 0.8 OUTLIER . . . . . 0 N--CA 1.53 3.563 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 . . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 68.0 mt -83.93 117.41 29.48 Favored 'Isoleucine or valine' 0 C--N 1.396 2.594 0 N-CA-C 105.063 -2.199 . . . . 0.0 105.063 174.314 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.0 m -140.43 163.45 32.79 Favored 'General case' 0 C--N 1.386 2.195 0 O-C-N 120.799 -1.188 . . . . 0.0 110.525 174.931 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -75.81 151.74 37.44 Favored 'General case' 0 C--N 1.382 1.983 0 C-N-CA 118.957 -1.097 . . . . 0.0 113.387 -170.276 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -145.09 56.12 1.24 Allowed 'General case' 0 C--N 1.386 2.176 0 N-CA-C 102.851 -3.018 . . . . 0.0 102.851 166.638 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.16 7.6 m170 -99.61 -175.63 3.04 Favored 'General case' 0 C--N 1.387 2.226 0 C-N-CA 125.601 1.561 . . . . 0.0 112.556 -178.946 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.4 mp 69.55 176.57 0.27 Allowed 'General case' 0 C--N 1.384 2.075 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 172.761 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.49 58.67 12.17 Favored Glycine 0 C--N 1.387 3.406 0 CA-C-O 117.898 -1.501 . . . . 0.0 110.098 -176.629 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.7 m 117.04 -41.12 0.01 OUTLIER 'General case' 0 C--N 1.393 2.496 0 C-N-CA 129.957 3.303 . . . . 0.0 110.53 174.026 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -144.29 126.76 8.41 Favored Pre-proline 0 CA--C 1.583 2.225 0 CA-C-O 118.929 -0.558 . . . . 0.0 110.668 -172.541 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . 0.271 14.0 Cg_endo -88.1 5.0 5.53 Favored 'Trans proline' 1 CA--C 1.605 4.073 0 N-CA-C 119.657 2.907 . . . . 0.0 119.657 179.599 . . . . . . . . 3 2 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -84.0 -25.02 2.45 Favored 'Trans proline' 0 C--N 1.41 3.808 1 N-CA-C 127.763 6.024 . . . . 0.0 127.763 -176.402 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.6 p -91.82 149.54 21.53 Favored 'General case' 0 C--N 1.396 2.602 0 CA-C-N 125.098 3.59 . . . . 0.0 118.866 -172.315 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.5 p -129.22 137.95 51.41 Favored 'General case' 0 C--N 1.381 1.971 0 CA-C-N 110.7 -2.955 . . . . 0.0 106.064 166.567 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -98.18 116.31 30.14 Favored 'General case' 0 C--N 1.376 1.729 0 CA-C-N 115.148 -0.933 . . . . 0.0 108.55 -171.845 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.8 m -76.95 98.46 4.93 Favored 'General case' 0 C--N 1.392 2.444 0 N-CA-C 102.596 -3.113 . . . . 0.0 102.596 173.501 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.4 t -118.64 151.17 38.43 Favored 'General case' 0 C--N 1.39 2.345 0 CA-C-O 122.571 1.177 . . . . 0.0 112.296 -170.871 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -102.19 63.63 0.9 Allowed 'General case' 0 C--N 1.378 1.846 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 179.614 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -146.01 111.97 5.67 Favored 'General case' 0 CA--C 1.572 1.792 1 N-CA-C 99.949 -4.093 . . . . 0.0 99.949 174.268 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.695 ' CG ' ' H3 ' ' A' ' 1' ' ' ARG 2.12 4.1 m-20 -61.52 4.12 0.11 Allowed 'General case' 0 CA--C 1.585 2.314 0 C-N-CA 128.383 2.673 . . . . 0.0 116.393 -166.911 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.8 t -159.3 157.72 31.06 Favored 'General case' 0 C--N 1.381 1.977 0 CA-C-N 120.919 1.69 . . . . 0.0 107.843 -176.727 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.9 p -149.49 150.36 32.21 Favored 'General case' 0 C--N 1.391 2.395 0 C-N-CA 117.512 -1.675 . . . . 0.0 115.222 -176.373 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -118.16 149.99 40.14 Favored 'General case' 0 C--N 1.386 2.158 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 -163.846 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.589 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 43.6 mttm -100.11 115.64 30.27 Favored 'General case' 0 C--N 1.388 2.255 0 N-CA-C 105.137 -2.172 . . . . 0.0 105.137 -177.613 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.589 ' HA ' ' HE1' ' A' ' 27' ' ' TRP . 0.4 OUTLIER -113.16 115.93 29.03 Favored 'General case' 0 CA--C 1.58 2.104 0 N-CA-C 101.313 -3.588 . . . . 0.0 101.313 -177.406 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.01 42.72 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.388 2.275 0 CA-C-O 123.413 1.578 . . . . 0.0 111.78 -165.747 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.589 ' HE1' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -148.81 -83.27 0.11 Allowed 'General case' 0 C--N 1.371 1.535 0 N-CA-C 103.952 -2.61 . . . . 0.0 103.952 -168.47 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.261 10.2 t 70.87 -90.04 0.03 OUTLIER 'General case' 0 CA--C 1.583 2.222 0 N-CA-C 104.911 -2.255 . . . . 0.0 104.911 -175.424 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -179.51 -47.71 0.01 OUTLIER 'General case' 0 C--N 1.384 2.088 0 N-CA-C 103.977 -2.601 . . . . 0.0 103.977 -177.043 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -64.93 -2.96 2.96 Favored 'General case' 0 CA--C 1.584 2.264 0 C-N-CA 130.191 3.396 . . . . 0.0 112.636 170.472 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 70.71 73.38 0.2 Allowed 'General case' 0 C--N 1.395 2.563 0 CA-C-N 122.181 2.264 . . . . 0.0 108.262 173.039 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.7 tp -163.03 162.03 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.394 2.523 0 C-N-CA 118.106 -1.438 . . . . 0.0 113.601 -174.291 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.3 mt -91.96 97.22 6.98 Favored 'Isoleucine or valine' 0 C--N 1.389 2.308 0 N-CA-C 105.068 -2.197 . . . . 0.0 105.068 174.185 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.0 ttp85 -146.02 120.66 9.8 Favored 'General case' 0 C--N 1.384 2.098 0 N-CA-C 101.813 -3.403 . . . . 0.0 101.813 -179.476 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -150.63 -169.43 3.38 Favored 'General case' 0 C--N 1.385 2.125 0 CA-C-N 113.75 -1.568 . . . . 0.0 113.418 -153.937 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -168.15 -176.76 38.86 Favored Glycine 0 C--N 1.396 3.877 1 C-N-CA 112.771 -4.537 . . . . 0.0 119.382 -172.583 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.8 p -94.05 119.4 32.86 Favored 'General case' 0 C--N 1.387 2.239 0 CA-C-N 114.168 -1.016 . . . . 0.0 110.358 -178.251 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.18 -88.67 0.07 OUTLIER Glycine 0 C--N 1.395 3.835 0 N-CA-C 106.001 -2.84 . . . . 0.0 106.001 172.561 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.361 43.5 t 87.24 -56.25 0.04 OUTLIER 'General case' 0 C--N 1.383 2.042 0 CA-C-N 113.164 -1.518 . . . . 0.0 111.251 176.101 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 . . . . . 0 CA--C 1.581 2.138 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 -169.828 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.554 2.503 0 N-CA-C 111.334 -0.706 . . . . 0.0 111.334 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -51.26 155.67 6.4 Favored 'Trans proline' 0 C--N 1.386 2.513 0 C-N-CA 121.614 1.543 . . . . 0.0 111.603 170.359 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -79.84 138.81 37.29 Favored 'General case' 0 CA--C 1.575 1.92 0 CA-C-N 114.0 -1.455 . . . . 0.0 110.136 -177.662 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 4.3 m -119.21 161.96 19.49 Favored 'General case' 0 C--N 1.399 2.745 0 N-CA-C 118.782 2.882 . . . . 0.0 118.782 -163.953 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.6 t -138.03 150.57 47.06 Favored 'General case' 0 C--N 1.387 2.213 0 CA-C-N 113.743 -1.572 . . . . 0.0 111.009 177.897 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.55 53.01 1.0 Allowed 'General case' 0 C--N 1.379 1.854 0 O-C-N 121.436 -0.79 . . . . 0.0 109.033 -174.753 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.1 t -147.38 151.44 36.51 Favored 'General case' 0 C--N 1.382 1.999 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.541 -173.318 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -60.42 126.61 28.13 Favored 'General case' 0 C--N 1.398 2.711 0 N-CA-C 105.36 -2.089 . . . . 0.0 105.36 179.805 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm 72.43 -72.07 0.12 Allowed 'General case' 0 C--N 1.388 2.248 0 C-N-CA 125.716 1.606 . . . . 0.0 109.568 178.896 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.268 30.3 t 78.92 31.08 0.32 Allowed 'General case' 0 CA--C 1.576 1.98 0 C-N-CA 127.322 2.249 . . . . 0.0 109.759 -178.281 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 64.8 t30 60.56 72.86 0.5 Allowed 'General case' 0 C--N 1.394 2.522 0 N-CA-C 106.147 -1.797 . . . . 0.0 106.147 176.174 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.589 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 20.6 mt . . . . . 0 CA--C 1.602 2.967 0 C-N-CA 126.304 1.842 . . . . 0.0 108.489 -179.281 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 1' ' ' ARG . . . . . 0.443 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.9 OUTLIER . . . . . 0 N--CA 1.536 3.841 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 . . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.1 mt -79.29 125.59 38.62 Favored 'Isoleucine or valine' 0 C--N 1.392 2.422 0 CA-C-O 122.682 1.229 . . . . 0.0 108.601 -179.774 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.6 m -142.74 151.11 40.94 Favored 'General case' 0 C--N 1.387 2.21 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 162.672 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -92.4 157.72 16.45 Favored 'General case' 0 C--N 1.387 2.199 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -168.814 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.4 p30 -128.17 22.73 6.1 Favored 'General case' 0 C--N 1.384 2.066 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -177.553 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.22 2.3 m-70 -75.55 -169.99 1.16 Allowed 'General case' 0 C--N 1.39 2.333 0 N-CA-C 115.493 1.664 . . . . 0.0 115.493 -168.98 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.0 mt 72.9 -168.99 0.13 Allowed 'General case' 0 C--N 1.393 2.467 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 171.157 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.22 -51.1 2.77 Favored Glycine 0 C--N 1.384 3.241 0 CA-C-N 114.518 -1.219 . . . . 0.0 110.265 -172.202 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 55.4 m -172.94 -48.96 0.02 OUTLIER 'General case' 0 C--N 1.38 1.908 0 N-CA-C 105.09 -2.189 . . . . 0.0 105.09 -178.824 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -76.84 151.41 82.24 Favored Pre-proline 0 C--N 1.393 2.489 0 C-N-CA 119.489 -0.885 . . . . 0.0 112.095 -178.693 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -61.7 172.44 3.68 Favored 'Trans proline' 0 C--N 1.402 3.366 0 C-N-CA 122.568 2.179 . . . . 0.0 115.392 -179.285 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_exo -52.41 145.76 35.38 Favored 'Trans proline' 0 C--N 1.395 2.995 0 C-N-CA 122.788 2.325 . . . . 0.0 116.54 -179.236 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.0 m -168.55 155.92 7.72 Favored 'General case' 0 C--N 1.387 2.231 0 CA-C-N 113.394 -1.73 . . . . 0.0 106.92 -178.821 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.5 p -143.62 155.63 44.32 Favored 'General case' 0 C--N 1.384 2.086 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -164.383 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -119.24 120.16 36.2 Favored 'General case' 0 C--N 1.386 2.177 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 177.658 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 47.7 m -95.23 90.1 5.74 Favored 'General case' 0 C--N 1.388 2.254 0 N-CA-C 100.954 -3.721 . . . . 0.0 100.954 175.588 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 1' ' ' ARG . 44.5 t -118.49 162.69 17.94 Favored 'General case' 0 C--N 1.386 2.191 0 CA-C-O 122.591 1.186 . . . . 0.0 114.143 -164.365 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -101.42 1.02 37.89 Favored 'General case' 0 C--N 1.376 1.727 0 CA-C-N 113.526 -1.67 . . . . 0.0 112.992 -177.691 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -77.3 115.67 17.27 Favored 'General case' 0 C--N 1.399 2.73 0 N-CA-C 104.781 -2.303 . . . . 0.0 104.781 176.544 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.192 67.4 m-20 -60.85 -12.77 12.0 Favored 'General case' 0 C--N 1.388 2.243 0 C-N-CA 126.515 1.926 . . . . 0.0 115.686 -169.407 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.6 t -127.34 122.12 32.88 Favored 'General case' 0 C--N 1.379 1.849 0 N-CA-C 104.158 -2.534 . . . . 0.0 104.158 177.816 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.387 18.3 p -121.23 146.23 47.02 Favored 'General case' 0 C--N 1.388 2.26 0 CA-C-O 123.117 1.437 . . . . 0.0 111.551 179.581 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -124.48 160.69 27.69 Favored 'General case' 0 C--N 1.386 2.157 0 N-CA-C 116.103 1.89 . . . . 0.0 116.103 -158.062 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.616 ' HZ1' ' C ' ' A' ' 59' ' ' LEU . 68.4 mmtt -107.23 124.88 50.39 Favored 'General case' 0 C--N 1.386 2.193 0 CA-C-N 112.236 -2.256 . . . . 0.0 107.549 175.814 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.54 108.31 14.36 Favored 'General case' 0 CA--C 1.572 1.822 0 N-CA-C 101.532 -3.507 . . . . 0.0 101.532 177.32 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -123.84 -31.3 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.398 2.688 0 N-CA-C 117.674 2.472 . . . . 0.0 117.674 -155.819 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.569 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -56.94 -106.05 0.0 OUTLIER 'General case' 0 CA--C 1.596 2.725 0 C-N-CA 131.402 3.881 . . . . 0.0 106.715 168.848 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.6 t 71.8 158.61 0.2 Allowed 'General case' 0 C--N 1.393 2.457 0 CA-C-O 123.518 1.628 . . . . 0.0 112.9 177.41 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -67.02 -35.42 79.89 Favored 'General case' 0 C--N 1.386 2.179 0 CA-C-N 114.408 -1.269 . . . . 0.0 111.451 175.488 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . 0.259 16.9 p30 -86.27 9.42 17.81 Favored 'General case' 0 CA--C 1.582 2.187 0 C-N-CA 126.293 1.837 . . . . 0.0 113.0 -178.405 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.7 t30 58.04 65.36 1.31 Allowed 'General case' 0 C--N 1.399 2.72 0 CA-C-N 121.397 1.908 . . . . 0.0 106.049 173.001 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 tp -163.07 158.08 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.396 2.625 0 C-N-CA 115.45 -2.5 . . . . 0.0 114.681 -167.262 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -103.72 89.11 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.386 2.156 0 N-CA-C 104.67 -2.345 . . . . 0.0 104.67 -177.664 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.1 ttp85 -126.66 108.14 10.82 Favored 'General case' 0 C--N 1.382 2.02 0 N-CA-C 103.694 -2.706 . . . . 0.0 103.694 -175.601 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.0 -159.53 1.03 Allowed 'General case' 0 C--N 1.396 2.619 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -157.562 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 169.03 -166.26 39.56 Favored Glycine 0 C--N 1.394 3.76 0 C-N-CA 114.759 -3.591 . . . . 0.0 118.258 -175.228 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.4 p -87.57 126.09 34.73 Favored 'General case' 0 C--N 1.391 2.371 0 CA-C-O 121.749 0.785 . . . . 0.0 109.967 177.522 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.68 -87.61 0.07 OUTLIER Glycine 0 C--N 1.396 3.872 0 N-CA-C 105.491 -3.043 . . . . 0.0 105.491 175.876 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 40' ' ' PHE 2.454 52.8 t 64.95 -163.79 0.25 Allowed 'General case' 0 C--N 1.383 2.038 0 N-CA-C 116.064 1.875 . . . . 0.0 116.064 172.875 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 40' ' ' PHE . . . . . 0.462 ' N ' ' SG ' ' A' ' 39' ' ' CYS 0.264 27.5 m-85 . . . . . 0 C--N 1.38 1.894 0 CA-C-N 112.081 -2.327 . . . . 0.0 109.302 -177.434 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.557 2.665 0 N-CA-C 111.686 -0.565 . . . . 0.0 111.686 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -67.37 163.25 35.32 Favored 'Trans proline' 0 C--N 1.387 2.564 0 N-CA-C 115.163 1.178 . . . . 0.0 115.163 176.149 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . 0.287 11.3 p90 -90.14 136.43 33.06 Favored 'General case' 0 C--N 1.385 2.114 0 N-CA-C 106.711 -1.588 . . . . 0.0 106.711 176.6 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 4.0 m -115.37 164.23 14.56 Favored 'General case' 0 C--N 1.389 2.307 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 -164.214 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.9 t -141.73 159.02 43.09 Favored 'General case' 0 C--N 1.38 1.929 0 CA-C-N 113.877 -1.51 . . . . 0.0 110.344 -174.869 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -124.75 64.14 1.12 Allowed 'General case' 0 C--N 1.383 2.022 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 177.866 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.4 m -160.5 170.75 20.29 Favored 'General case' 0 C--N 1.387 2.224 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.935 177.606 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.738 ' CG ' ' HZ1' ' A' ' 56' ' ' LYS . 26.2 t0 -78.95 108.4 12.39 Favored 'General case' 0 CA--C 1.587 2.387 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 -178.783 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.738 ' HZ1' ' CG ' ' A' ' 55' ' ' ASP 0.307 8.8 mptt 78.98 -55.64 0.45 Allowed 'General case' 0 C--N 1.396 2.611 0 C-N-CA 127.98 2.512 . . . . 0.0 114.554 176.473 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 38.4 m 67.33 45.3 1.65 Allowed 'General case' 0 CA--C 1.587 2.372 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -177.325 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.428 ' C ' ' HZ3' ' A' ' 24' ' ' LYS . 7.6 t30 70.51 79.24 0.18 Allowed 'General case' 0 C--N 1.394 2.504 0 N-CA-C 105.907 -1.886 . . . . 0.0 105.907 -179.916 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.616 ' C ' ' HZ1' ' A' ' 24' ' ' LYS . 1.6 mm? . . . . . 0 CA--C 1.597 2.76 0 C-N-CA 126.813 2.045 . . . . 0.0 110.152 175.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.514 HH12 ' CG ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 1 N--CA 1.541 4.084 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 73.1 mt -121.78 127.78 75.56 Favored 'Isoleucine or valine' 0 C--N 1.383 2.064 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.9 m -144.0 134.55 24.81 Favored 'General case' 0 C--N 1.383 2.05 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -78.81 154.23 30.05 Favored 'General case' 0 C--N 1.386 2.193 0 O-C-N 120.161 -1.587 . . . . 0.0 111.546 -169.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -139.69 59.78 1.58 Allowed 'General case' 0 C--N 1.386 2.188 0 N-CA-C 103.936 -2.616 . . . . 0.0 103.936 172.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.199 18.2 m170 -102.63 -166.35 1.27 Allowed 'General case' 0 C--N 1.385 2.145 0 C-N-CA 128.002 2.521 . . . . 0.0 112.714 -178.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.557 ' H ' ' HA ' ' A' ' 11' ' ' PRO 0.37 84.9 mt 68.39 -174.89 0.19 Allowed 'General case' 0 C--N 1.384 2.075 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 171.41 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.31 -40.26 2.98 Favored Glycine 0 C--N 1.389 3.512 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.099 -166.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.9 m -179.88 -42.58 0.01 OUTLIER 'General case' 0 C--N 1.384 2.087 0 C-N-CA 126.519 1.928 . . . . 0.0 106.065 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -103.3 100.85 19.43 Favored Pre-proline 0 CA--C 1.583 2.216 0 C-N-CA 124.985 1.314 . . . . 0.0 107.934 -171.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.557 ' HA ' ' H ' ' A' ' 7' ' ' LEU 0.293 38.1 Cg_endo -91.83 6.17 3.53 Favored 'Trans proline' 0 C--N 1.409 3.749 0 N-CA-C 120.956 3.406 . . . . 0.0 120.956 -175.528 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -82.8 -22.41 4.39 Favored 'Trans proline' 0 C--N 1.404 3.486 1 N-CA-C 124.145 4.633 . . . . 0.0 124.145 -176.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.0 p -85.86 146.33 26.79 Favored 'General case' 0 C--N 1.396 2.627 0 CA-C-N 124.331 3.241 . . . . 0.0 114.891 -173.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 70.4 p -135.08 138.22 43.62 Favored 'General case' 0 C--N 1.381 1.948 0 CA-C-N 113.162 -1.836 . . . . 0.0 108.042 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -96.4 101.37 12.99 Favored 'General case' 0 C--N 1.38 1.906 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 -173.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 60.2 m -82.6 85.79 6.93 Favored 'General case' 0 C--N 1.385 2.122 0 N-CA-C 100.248 -3.982 . . . . 0.0 100.248 173.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.6 t -117.22 156.81 27.09 Favored 'General case' 0 C--N 1.389 2.285 0 CA-C-O 123.632 1.682 . . . . 0.0 113.79 -162.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -97.23 5.28 50.33 Favored 'General case' 0 C--N 1.378 1.841 0 CA-C-N 112.862 -1.972 . . . . 0.0 114.47 -172.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -80.56 146.07 31.45 Favored 'General case' 0 C--N 1.391 2.396 0 CA-C-N 122.124 2.238 . . . . 0.0 110.922 -177.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.514 ' CG ' HH12 ' A' ' 1' ' ' ARG 2.047 1.6 m-20 -57.96 -3.94 0.27 Allowed 'General case' 0 C--N 1.39 2.338 0 C-N-CA 130.398 3.479 . . . . 0.0 113.273 176.835 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.4 t -161.58 146.22 13.18 Favored 'General case' 0 C--N 1.383 2.057 0 O-C-N 120.418 -1.426 . . . . 0.0 108.792 -177.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.2 p -138.9 156.4 47.31 Favored 'General case' 0 C--N 1.389 2.298 0 CA-C-O 122.969 1.366 . . . . 0.0 111.511 170.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -119.83 149.13 42.57 Favored 'General case' 0 C--N 1.375 1.682 0 CA-C-N 113.423 -1.717 . . . . 0.0 113.558 -170.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -111.88 109.93 19.99 Favored 'General case' 0 C--N 1.386 2.18 0 N-CA-C 103.916 -2.624 . . . . 0.0 103.916 176.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.52 ' HA ' ' HE1' ' A' ' 27' ' ' TRP . 1.2 t30 -115.27 116.83 28.97 Favored 'General case' 0 CA--C 1.584 2.266 0 N-CA-C 103.718 -2.697 . . . . 0.0 103.718 -176.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.69 7.33 6.24 Favored 'Isoleucine or valine' 0 C--N 1.391 2.373 0 N-CA-C 115.945 1.831 . . . . 0.0 115.945 -165.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.527 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -117.86 -83.69 0.64 Allowed 'General case' 0 CA--C 1.574 1.878 0 C-N-CA 131.557 3.943 . . . . 0.0 105.051 -167.284 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.282 14.4 t 73.74 -81.31 0.03 OUTLIER 'General case' 0 C--N 1.386 2.181 0 C-N-CA 127.58 2.352 . . . . 0.0 108.084 179.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -179.7 -55.72 0.01 OUTLIER 'General case' 0 C--N 1.386 2.171 0 N-CA-C 105.164 -2.161 . . . . 0.0 105.164 -174.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -69.27 9.24 0.46 Allowed 'General case' 0 CA--C 1.578 2.042 0 C-N-CA 130.587 3.555 . . . . 0.0 112.342 174.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 59.51 66.34 1.03 Allowed 'General case' 0 C--N 1.391 2.408 0 C-N-CA 126.471 1.908 . . . . 0.0 106.084 175.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 tp -149.66 164.77 3.6 Favored 'Isoleucine or valine' 0 C--N 1.392 2.426 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -171.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.9 mp -104.53 95.61 3.95 Favored 'Isoleucine or valine' 0 C--N 1.386 2.184 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.84 118.6 11.71 Favored 'General case' 0 C--N 1.385 2.115 0 N-CA-C 104.619 -2.363 . . . . 0.0 104.619 -175.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -152.57 -171.02 3.8 Favored 'General case' 0 C--N 1.39 2.345 0 C-N-CA 118.834 -1.147 . . . . 0.0 113.654 -158.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -179.71 176.19 47.39 Favored Glycine 0 C--N 1.394 3.801 1 C-N-CA 113.521 -4.18 . . . . 0.0 118.953 -173.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.0 p -82.82 101.68 11.12 Favored 'General case' 0 C--N 1.389 2.3 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 177.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.52 -117.99 0.45 Allowed Glycine 0 C--N 1.396 3.869 0 N-CA-C 107.221 -2.351 . . . . 0.0 107.221 177.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.398 14.2 t 83.01 -126.27 0.01 OUTLIER 'General case' 0 C--N 1.385 2.151 0 O-C-N 121.418 -1.048 . . . . 0.0 110.736 173.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 67.53 32.17 5.8 Favored 'General case' 0 C--N 1.387 2.234 0 O-C-N 121.256 -0.902 . . . . 0.0 110.773 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.9 t -120.04 110.22 36.63 Favored Pre-proline 0 C--N 1.38 1.898 0 N-CA-C 101.974 -3.343 . . . . 0.0 101.974 174.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -47.43 114.16 0.95 Allowed 'Trans proline' 0 C--N 1.395 3.025 0 N-CA-C 105.815 -2.417 . . . . 0.0 105.815 175.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.6 tpt85 -86.4 74.05 10.03 Favored 'General case' 0 C--N 1.398 2.685 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 -176.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -102.85 59.24 0.54 Allowed Glycine 0 C--N 1.389 3.509 0 N-CA-C 106.403 -2.679 . . . . 0.0 106.403 171.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.474 0.3 OUTLIER 44.19 49.06 7.75 Favored 'General case' 0 C--N 1.383 2.052 0 C-N-CA 127.396 2.278 . . . . 0.0 108.407 -168.608 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.1 mtt -97.43 161.83 24.64 Favored Pre-proline 0 C--N 1.386 2.155 0 CA-C-N 113.533 -1.667 . . . . 0.0 109.164 170.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -54.61 125.89 20.52 Favored 'Trans proline' 0 C--N 1.389 2.706 0 CA-C-O 123.488 1.37 . . . . 0.0 108.926 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 138.68 167.05 10.84 Favored Glycine 0 C--N 1.391 3.61 0 CA-C-N 114.586 -1.188 . . . . 0.0 113.644 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -79.32 170.13 17.89 Favored 'Trans proline' 0 C--N 1.383 2.391 0 C-N-CA 123.83 3.02 . . . . 0.0 110.527 173.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . 0.276 0.4 OUTLIER -72.58 129.73 38.95 Favored 'General case' 0 C--N 1.396 2.59 0 C-N-CA 116.051 -2.26 . . . . 0.0 105.701 178.342 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.4 m -123.35 127.82 49.03 Favored 'General case' 0 C--N 1.391 2.402 0 CA-C-O 122.858 1.313 . . . . 0.0 108.894 -172.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 45.5 t -123.93 173.52 8.16 Favored 'General case' 0 C--N 1.382 2.02 0 C-N-CA 126.168 1.787 . . . . 0.0 113.183 -173.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -131.12 56.28 1.81 Allowed 'General case' 0 C--N 1.385 2.12 0 CA-C-O 122.103 0.954 . . . . 0.0 109.582 -178.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.0 t -150.29 155.57 39.92 Favored 'General case' 0 C--N 1.383 2.035 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.36 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.575 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 17.0 t70 -64.54 129.17 38.85 Favored 'General case' 0 C--N 1.388 2.253 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 177.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.575 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.256 36.9 mmtm 72.21 -68.0 0.24 Allowed 'General case' 0 C--N 1.394 2.536 0 C-N-CA 128.087 2.555 . . . . 0.0 107.944 -175.588 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.295 42.4 t 62.11 65.83 0.86 Allowed 'General case' 0 C--N 1.378 1.842 0 C-N-CA 127.155 2.182 . . . . 0.0 106.319 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.4 t30 77.12 60.28 0.04 OUTLIER 'General case' 0 C--N 1.389 2.303 0 C-N-CA 126.144 1.778 . . . . 0.0 111.094 168.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . 0.268 19.3 tp . . . . . 0 CA--C 1.581 2.164 0 C-N-CA 129.061 2.944 . . . . 0.0 107.407 174.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.464 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.5 OUTLIER . . . . . 0 N--CA 1.531 3.592 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -92.25 132.03 37.7 Favored 'Isoleucine or valine' 0 C--N 1.389 2.287 0 CA-C-O 122.407 1.099 . . . . 0.0 109.434 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 83.0 m -143.86 151.41 39.84 Favored 'General case' 0 C--N 1.386 2.169 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 163.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.5 m-30 -92.82 166.22 12.53 Favored 'General case' 0 C--N 1.387 2.217 0 C-N-CA 118.048 -1.461 . . . . 0.0 112.893 -171.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -142.06 52.28 1.48 Allowed 'General case' 0 C--N 1.38 1.925 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 171.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.176 8.8 m170 -81.78 -160.91 0.39 Allowed 'General case' 0 C--N 1.386 2.176 0 C-N-CA 126.616 1.967 . . . . 0.0 110.967 173.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.277 63.0 mt 64.66 -164.74 0.24 Allowed 'General case' 0 C--N 1.385 2.117 0 CA-C-O 123.123 1.44 . . . . 0.0 113.015 170.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.37 -55.36 4.51 Favored Glycine 0 C--N 1.384 3.244 0 N-CA-C 107.593 -2.203 . . . . 0.0 107.593 -166.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.0 m -168.98 -43.79 0.02 OUTLIER 'General case' 0 C--N 1.381 1.978 0 N-CA-C 107.378 -1.341 . . . . 0.0 107.378 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -86.9 156.15 55.34 Favored Pre-proline 0 C--N 1.388 2.25 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 -168.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -55.05 161.98 5.93 Favored 'Trans proline' 0 C--N 1.402 3.377 0 C-N-CA 123.626 2.884 . . . . 0.0 117.653 -178.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -50.01 136.25 36.87 Favored 'Trans proline' 0 C--N 1.396 3.043 0 C-N-CA 123.981 3.121 . . . . 0.0 116.21 -177.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.31 47.0 p -160.41 137.94 9.52 Favored 'General case' 0 C--N 1.392 2.455 0 N-CA-C 104.713 -2.329 . . . . 0.0 104.713 177.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.8 p -125.92 157.66 37.14 Favored 'General case' 0 C--N 1.388 2.262 0 N-CA-C 114.914 1.449 . . . . 0.0 114.914 -163.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -117.39 94.47 4.57 Favored 'General case' 0 C--N 1.39 2.368 0 N-CA-C 106.884 -1.525 . . . . 0.0 106.884 -174.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.6 m -77.1 107.04 9.18 Favored 'General case' 0 C--N 1.389 2.312 0 N-CA-C 102.346 -3.205 . . . . 0.0 102.346 172.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.5 t -118.44 152.98 34.87 Favored 'General case' 0 C--N 1.393 2.492 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -168.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -96.82 -21.12 17.71 Favored 'General case' 0 C--N 1.387 2.208 0 CA-C-N 114.664 -1.153 . . . . 0.0 112.909 177.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -64.34 125.57 25.04 Favored 'General case' 0 C--N 1.395 2.579 0 N-CA-C 103.655 -2.72 . . . . 0.0 103.655 173.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.15 40.5 m-20 -64.38 9.9 0.07 Allowed 'General case' 0 C--N 1.39 2.343 0 C-N-CA 127.227 2.211 . . . . 0.0 114.844 -169.437 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.9 t -153.62 143.6 22.04 Favored 'General case' 0 C--N 1.386 2.161 0 CA-C-N 120.482 1.492 . . . . 0.0 107.999 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.9 p -146.61 165.12 30.47 Favored 'General case' 0 C--N 1.381 1.956 0 CA-C-N 114.905 -1.043 . . . . 0.0 112.012 176.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -147.15 161.82 40.11 Favored 'General case' 0 C--N 1.388 2.275 0 N-CA-C 116.388 1.995 . . . . 0.0 116.388 -161.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.619 ' HZ3' ' C ' ' A' ' 59' ' ' LEU . 61.8 mmtt -107.15 118.83 37.75 Favored 'General case' 0 C--N 1.385 2.115 0 CA-C-N 111.312 -2.676 . . . . 0.0 106.732 -177.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.535 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 1.6 t30 -119.29 128.88 54.55 Favored 'General case' 0 CA--C 1.583 2.225 0 N-CA-C 103.898 -2.63 . . . . 0.0 103.898 -175.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.38 -40.71 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.402 2.876 0 N-CA-C 116.532 2.049 . . . . 0.0 116.532 -149.135 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.57 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -52.07 -93.73 0.0 OUTLIER 'General case' 0 CA--C 1.578 2.045 0 C-N-CA 130.934 3.693 . . . . 0.0 107.508 169.069 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.8 t 78.8 -19.49 0.44 Allowed 'General case' 0 C--N 1.389 2.321 0 C-N-CA 125.029 1.332 . . . . 0.0 112.69 172.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . 0.316 62.1 m-85 84.72 -51.54 0.1 Allowed 'General case' 0 C--N 1.39 2.327 0 C-N-CA 126.476 1.91 . . . . 0.0 107.912 -174.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -68.8 -11.29 60.24 Favored 'General case' 0 CA--C 1.577 1.982 0 CA-C-O 117.009 -1.472 . . . . 0.0 110.899 172.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 70.43 76.17 0.2 Allowed 'General case' 0 C--N 1.396 2.606 0 CA-C-N 122.435 2.379 . . . . 0.0 106.915 174.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 tp -162.01 164.54 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.392 2.438 0 C-N-CA 117.433 -1.707 . . . . 0.0 113.354 -176.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.0 mm -91.07 87.99 2.74 Favored 'Isoleucine or valine' 0 C--N 1.384 2.079 0 N-CA-C 104.23 -2.507 . . . . 0.0 104.23 177.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.01 131.57 23.92 Favored 'General case' 0 C--N 1.386 2.165 0 N-CA-C 104.137 -2.542 . . . . 0.0 104.137 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.4 HH11 ' HG2' ' A' ' 35' ' ' ARG . 1.1 ptt-85 -171.46 -162.12 0.22 Allowed 'General case' 0 C--N 1.407 3.073 0 C-N-CA 116.29 -2.164 . . . . 0.0 113.302 -142.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -172.69 179.74 43.99 Favored Glycine 1 C--N 1.399 4.067 1 C-N-CA 113.532 -4.175 . . . . 0.0 120.979 -173.835 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 44.1 t -96.65 108.96 21.67 Favored 'General case' 0 C--N 1.388 2.25 0 CA-C-N 113.369 -1.416 . . . . 0.0 107.621 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.95 -78.35 0.04 OUTLIER Glycine 0 C--N 1.395 3.83 0 N-CA-C 105.91 -2.876 . . . . 0.0 105.91 176.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.36 46.1 t 69.7 -156.89 0.15 Allowed 'General case' 0 C--N 1.39 2.328 0 CA-C-O 123.037 1.398 . . . . 0.0 113.299 176.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 51.78 42.69 30.13 Favored 'General case' 0 C--N 1.381 1.944 0 CA-C-N 113.335 -1.757 . . . . 0.0 108.977 177.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 65.1 p -97.04 122.39 56.52 Favored Pre-proline 0 C--N 1.387 2.215 0 N-CA-C 105.305 -2.109 . . . . 0.0 105.305 177.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -76.03 97.64 1.13 Allowed 'Trans proline' 0 C--N 1.396 3.034 0 N-CA-C 104.523 -2.914 . . . . 0.0 104.523 176.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 39.1 ttt-85 -86.4 108.87 18.67 Favored 'General case' 0 C--N 1.393 2.462 0 CA-C-O 122.928 1.346 . . . . 0.0 107.415 -177.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -144.98 -100.54 0.3 Allowed Glycine 0 C--N 1.385 3.275 0 N-CA-C 104.561 -3.416 . . . . 0.0 104.561 173.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.3 p30 -106.44 43.24 1.16 Allowed 'General case' 0 CA--C 1.569 1.709 0 C-N-CA 126.583 1.953 . . . . 0.0 107.551 175.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.9 ttt -149.88 112.67 3.37 Favored Pre-proline 0 C--N 1.385 2.112 0 N-CA-C 102.898 -3.001 . . . . 0.0 102.898 178.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -69.15 153.51 71.61 Favored 'Trans proline' 0 C--N 1.4 3.259 0 N-CA-C 116.714 1.775 . . . . 0.0 116.714 -172.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -169.2 169.17 41.76 Favored Glycine 0 C--N 1.391 3.629 0 CA-C-N 114.529 -1.214 . . . . 0.0 112.368 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -70.89 -171.46 0.57 Allowed 'Trans proline' 0 C--N 1.392 2.868 0 C-N-CA 124.04 3.16 . . . . 0.0 110.501 172.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -109.19 131.18 55.31 Favored 'General case' 0 C--N 1.388 2.263 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 177.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.4 m -118.72 170.39 9.03 Favored 'General case' 0 C--N 1.396 2.599 0 N-CA-C 117.81 2.522 . . . . 0.0 117.81 -167.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.4 t -140.48 160.71 39.4 Favored 'General case' 0 C--N 1.382 1.99 0 CA-C-N 112.329 -2.214 . . . . 0.0 110.375 176.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -135.45 54.04 1.94 Allowed 'General case' 0 C--N 1.384 2.082 0 N-CA-C 106.614 -1.624 . . . . 0.0 106.614 170.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.7 t -152.58 157.38 40.94 Favored 'General case' 0 C--N 1.381 1.956 0 C-N-CA 127.064 2.145 . . . . 0.0 107.35 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.536 ' CG ' ' NZ ' ' A' ' 56' ' ' LYS . 24.7 p-10 -74.89 141.5 44.16 Favored 'General case' 0 C--N 1.393 2.474 0 C-N-CA 116.21 -2.196 . . . . 0.0 110.21 -177.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.536 ' NZ ' ' CG ' ' A' ' 55' ' ' ASP 0.296 3.0 mppt? 75.87 -89.54 0.02 OUTLIER 'General case' 0 C--N 1.388 2.277 0 C-N-CA 125.535 1.534 . . . . 0.0 109.88 177.442 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 11.4 m 79.71 -41.34 0.23 Allowed 'General case' 0 C--N 1.385 2.137 0 C-N-CA 127.685 2.394 . . . . 0.0 112.691 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -172.52 72.52 0.04 OUTLIER 'General case' 0 C--N 1.388 2.277 0 N-CA-C 101.782 -3.414 . . . . 0.0 101.782 -178.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.619 ' C ' ' HZ3' ' A' ' 24' ' ' LYS 0.255 7.4 mp . . . . . 0 CA--C 1.594 2.652 0 N-CA-C 105.579 -2.008 . . . . 0.0 105.579 -171.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.43 HH21 ' CG ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.539 3.989 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 54.9 mt -90.63 123.8 42.95 Favored 'Isoleucine or valine' 0 C--N 1.391 2.41 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.4 m -137.36 147.4 45.49 Favored 'General case' 0 C--N 1.388 2.278 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 173.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -85.32 167.67 15.38 Favored 'General case' 0 C--N 1.388 2.242 0 N-CA-C 115.085 1.513 . . . . 0.0 115.085 -164.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -146.36 54.32 1.13 Allowed 'General case' 0 C--N 1.387 2.231 0 N-CA-C 104.798 -2.297 . . . . 0.0 104.798 177.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.506 ' HD1' ' N ' ' A' ' 12' ' ' PRO 2.166 4.2 m170 -83.77 -175.4 5.79 Favored 'General case' 0 C--N 1.383 2.046 0 C-N-CA 124.817 1.247 . . . . 0.0 112.595 -179.929 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.319 79.5 mt 72.84 -171.83 0.14 Allowed 'General case' 0 C--N 1.381 1.939 0 N-CA-C 115.475 1.657 . . . . 0.0 115.475 170.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 98.43 -44.17 1.8 Allowed Glycine 0 C--N 1.385 3.252 0 N-CA-C 108.234 -1.946 . . . . 0.0 108.234 -164.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.8 m 173.41 -45.36 0.01 OUTLIER 'General case' 0 C--N 1.39 2.357 0 C-N-CA 127.121 2.168 . . . . 0.0 105.451 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt -90.5 151.07 43.79 Favored Pre-proline 0 CA--C 1.585 2.325 0 C-N-CA 125.756 1.622 . . . . 0.0 112.969 -177.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -117.92 6.08 0.03 OUTLIER 'Trans proline' 1 C--N 1.423 4.472 0 N-CA-C 118.931 2.627 . . . . 0.0 118.931 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.506 ' N ' ' HD1' ' A' ' 6' ' ' HIS . 0.2 OUTLIER -73.26 -11.19 24.81 Favored 'Trans proline' 0 C--N 1.404 3.462 1 N-CA-C 127.399 5.884 . . . . 0.0 127.399 -176.055 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.454 ' H ' ' ND1' ' A' ' 6' ' ' HIS . 76.8 p -116.8 161.47 19.22 Favored 'General case' 0 C--N 1.394 2.504 1 CA-C-N 126.873 4.397 . . . . 0.0 119.141 -172.547 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.1 p -144.65 155.72 43.75 Favored 'General case' 0 C--N 1.383 2.037 0 CA-C-N 111.393 -2.639 . . . . 0.0 110.379 -174.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -106.78 93.11 4.39 Favored 'General case' 0 C--N 1.382 2.005 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 -178.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.8 m -68.57 120.66 14.96 Favored 'General case' 0 C--N 1.398 2.704 0 N-CA-C 103.501 -2.777 . . . . 0.0 103.501 170.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -133.21 141.8 48.25 Favored 'General case' 0 C--N 1.391 2.408 0 CA-C-O 123.052 1.406 . . . . 0.0 111.186 -170.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -97.2 -16.76 20.25 Favored 'General case' 0 C--N 1.38 1.922 0 CA-C-N 113.588 -1.642 . . . . 0.0 109.164 169.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -72.06 124.36 24.78 Favored 'General case' 0 C--N 1.401 2.833 0 N-CA-C 104.721 -2.326 . . . . 0.0 104.721 174.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.43 ' CG ' HH21 ' A' ' 1' ' ' ARG 2.129 54.4 m-20 -64.56 12.65 0.04 OUTLIER 'General case' 0 CA--C 1.582 2.2 0 C-N-CA 128.461 2.704 . . . . 0.0 116.432 -170.693 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.7 m -149.11 144.37 26.61 Favored 'General case' 0 C--N 1.386 2.185 0 CA-C-N 122.124 2.238 . . . . 0.0 108.646 -178.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.4 p -136.67 152.61 50.59 Favored 'General case' 0 C--N 1.383 2.057 0 CA-C-O 122.458 1.123 . . . . 0.0 111.596 176.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -122.92 155.56 36.48 Favored 'General case' 0 C--N 1.38 1.931 0 CA-C-O 122.847 1.308 . . . . 0.0 114.344 -167.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.691 ' HZ1' ' C ' ' A' ' 59' ' ' LEU . 22.8 mmtt -114.18 122.39 46.65 Favored 'General case' 0 C--N 1.384 2.101 0 CA-C-N 112.539 -2.119 . . . . 0.0 106.881 -175.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.419 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 0.4 OUTLIER -127.1 122.23 33.68 Favored 'General case' 0 CA--C 1.582 2.175 0 N-CA-C 104.26 -2.496 . . . . 0.0 104.26 -174.508 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.17 -14.13 2.06 Favored 'Isoleucine or valine' 0 C--N 1.401 2.843 0 N-CA-C 117.59 2.441 . . . . 0.0 117.59 -153.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.548 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -87.66 -106.69 0.07 Allowed 'General case' 0 CA--C 1.591 2.526 1 C-N-CA 134.524 5.13 . . . . 0.0 107.813 -177.333 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.4 t 81.38 151.72 0.1 Allowed 'General case' 0 C--N 1.396 2.63 0 C-N-CA 125.528 1.531 . . . . 0.0 114.635 172.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -56.11 -49.81 72.84 Favored 'General case' 0 C--N 1.396 2.617 0 C-N-CA 125.048 1.339 . . . . 0.0 108.971 176.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 45.5 p30 -73.48 -6.44 46.45 Favored 'General case' 0 CA--C 1.58 2.11 0 C-N-CA 125.511 1.524 . . . . 0.0 113.49 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.2 t30 64.08 81.76 0.2 Allowed 'General case' 0 C--N 1.392 2.446 0 C-N-CA 127.112 2.165 . . . . 0.0 106.333 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -164.67 168.4 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.392 2.418 0 C-N-CA 118.799 -1.16 . . . . 0.0 113.215 -177.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -103.95 103.41 15.16 Favored 'Isoleucine or valine' 0 C--N 1.387 2.202 0 N-CA-C 104.572 -2.381 . . . . 0.0 104.572 175.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.9 121.41 9.72 Favored 'General case' 0 C--N 1.385 2.133 0 N-CA-C 104.252 -2.499 . . . . 0.0 104.252 -175.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.33 -171.18 3.61 Favored 'General case' 0 C--N 1.397 2.653 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -158.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -165.59 -163.21 18.5 Favored Glycine 1 C--N 1.399 4.057 0 C-N-CA 115.006 -3.473 . . . . 0.0 118.909 -167.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 40.4 t -115.38 115.61 26.87 Favored 'General case' 0 C--N 1.392 2.454 0 CA-C-O 122.143 0.973 . . . . 0.0 109.302 -176.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.52 -95.25 0.1 Allowed Glycine 0 C--N 1.392 3.676 0 N-CA-C 103.82 -3.712 . . . . 0.0 103.82 176.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.414 9.1 t 74.17 -155.08 0.06 Allowed 'General case' 0 C--N 1.388 2.243 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 173.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 63.13 39.76 9.58 Favored 'General case' 0 C--N 1.384 2.07 0 CA-C-N 114.405 -1.27 . . . . 0.0 108.428 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 50.3 p -75.41 125.8 88.39 Favored Pre-proline 0 C--N 1.393 2.458 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -66.82 148.49 82.58 Favored 'Trans proline' 0 C--N 1.395 3.007 0 CA-C-O 122.008 0.753 . . . . 0.0 111.043 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 40.3 tpt85 -89.42 71.57 8.05 Favored 'General case' 0 C--N 1.389 2.314 0 CA-C-O 121.626 0.727 . . . . 0.0 110.284 -175.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -121.31 50.74 0.82 Allowed Glycine 0 C--N 1.389 3.486 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 170.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 58.68 51.88 7.33 Favored 'General case' 0 C--N 1.384 2.099 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 175.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 34.8 ttm -126.7 103.22 24.76 Favored Pre-proline 0 C--N 1.391 2.399 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 -174.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -84.36 120.12 2.46 Favored 'Trans proline' 0 C--N 1.402 3.381 0 N-CA-C 109.578 -0.97 . . . . 0.0 109.578 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.5 94.58 0.37 Allowed Glycine 0 C--N 1.391 3.633 0 CA-C-O 115.699 -2.723 . . . . 0.0 106.496 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo 47.13 -152.53 0.0 OUTLIER 'Trans proline' 1 C--N 1.449 5.842 0 C-N-CA 114.671 -3.086 . . . . 0.0 109.815 -171.118 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . 0.279 49.4 p90 -149.28 135.69 19.29 Favored 'General case' 0 C--N 1.373 1.618 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 174.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 16.1 m -120.9 152.53 38.35 Favored 'General case' 0 C--N 1.392 2.444 0 N-CA-C 115.799 1.777 . . . . 0.0 115.799 -161.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 16.8 t -133.59 176.56 8.43 Favored 'General case' 0 C--N 1.378 1.838 0 CA-C-N 112.507 -2.133 . . . . 0.0 111.195 178.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -146.62 37.36 0.99 Allowed 'General case' 0 C--N 1.385 2.126 0 C-N-CA 119.639 -0.825 . . . . 0.0 112.194 -174.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.9 m -123.99 172.42 8.97 Favored 'General case' 0 C--N 1.379 1.881 0 C-N-CA 125.237 1.415 . . . . 0.0 111.349 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.516 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 27.8 t0 -71.6 113.03 8.2 Favored 'General case' 0 C--N 1.388 2.243 0 N-CA-C 105.692 -1.966 . . . . 0.0 105.692 -177.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.516 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.302 4.0 mptt 76.53 -59.92 0.49 Allowed 'General case' 0 C--N 1.396 2.601 0 C-N-CA 126.991 2.116 . . . . 0.0 109.974 -178.323 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 52.2 t 57.77 61.01 2.55 Favored 'General case' 0 C--N 1.378 1.808 0 N-CA-C 106.244 -1.762 . . . . 0.0 106.244 178.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 68.5 75.87 0.26 Allowed 'General case' 0 C--N 1.386 2.178 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 173.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.691 ' C ' ' HZ1' ' A' ' 24' ' ' LYS . 23.4 mt . . . . . 0 CA--C 1.603 2.999 0 C-N-CA 127.499 2.32 . . . . 0.0 110.758 176.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 1 N--CA 1.541 4.111 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 81.0 mt -137.64 139.37 43.27 Favored 'Isoleucine or valine' 0 C--N 1.386 2.186 0 CA-C-N 119.46 1.027 . . . . 0.0 109.464 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 m -140.69 153.84 46.12 Favored 'General case' 0 C--N 1.388 2.25 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 175.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -104.95 147.46 27.76 Favored 'General case' 0 C--N 1.393 2.493 0 O-C-N 120.669 -1.269 . . . . 0.0 113.724 -167.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -130.74 58.21 1.7 Allowed 'General case' 0 C--N 1.392 2.422 0 N-CA-C 105.808 -1.923 . . . . 0.0 105.808 178.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.183 10.9 m170 -101.07 -150.1 0.39 Allowed 'General case' 0 C--N 1.381 1.948 0 C-N-CA 127.592 2.357 . . . . 0.0 111.869 -178.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.503 ' H ' ' HA ' ' A' ' 11' ' ' PRO 0.27 31.3 mt 57.6 -167.45 0.13 Allowed 'General case' 0 C--N 1.385 2.13 0 CA-C-O 122.379 1.085 . . . . 0.0 111.772 176.81 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.02 -53.69 4.51 Favored Glycine 0 C--N 1.383 3.173 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -173.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.5 m -163.54 -49.86 0.03 OUTLIER 'General case' 0 C--N 1.38 1.908 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -102.72 118.13 59.15 Favored Pre-proline 0 CA--C 1.584 2.259 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -176.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.503 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 34.4 Cg_endo -89.62 -6.42 5.09 Favored 'Trans proline' 0 C--N 1.41 3.806 0 N-CA-C 120.543 3.247 . . . . 0.0 120.543 -177.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_exo -81.16 -15.28 10.36 Favored 'Trans proline' 0 C--N 1.397 3.112 1 N-CA-C 125.307 5.08 . . . . 0.0 125.307 -174.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.8 p -92.84 155.99 17.27 Favored 'General case' 0 C--N 1.393 2.472 0 CA-C-N 124.815 3.461 . . . . 0.0 116.541 -172.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 41.8 p -139.62 161.31 37.82 Favored 'General case' 0 C--N 1.385 2.122 0 CA-C-N 111.811 -2.45 . . . . 0.0 112.282 -166.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -127.58 112.82 15.32 Favored 'General case' 0 C--N 1.385 2.148 0 CA-C-O 123.227 1.489 . . . . 0.0 108.288 -174.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 91.5 m -73.38 124.11 25.12 Favored 'General case' 0 C--N 1.387 2.212 0 N-CA-C 105.237 -2.134 . . . . 0.0 105.237 175.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.7 t -125.89 143.38 51.1 Favored 'General case' 0 C--N 1.39 2.352 0 CA-C-O 122.82 1.295 . . . . 0.0 112.126 -173.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 -151.72 49.48 0.8 Allowed 'General case' 0 C--N 1.381 1.952 0 N-CA-C 103.851 -2.648 . . . . 0.0 103.851 165.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -98.21 8.85 44.21 Favored 'General case' 0 C--N 1.396 2.598 0 CA-C-O 121.81 0.814 . . . . 0.0 112.439 176.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.343 0.8 OUTLIER 100.34 -24.99 0.02 OUTLIER 'General case' 0 CA--C 1.577 2.006 0 C-N-CA 129.387 3.075 . . . . 0.0 111.831 178.869 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.3 t -160.02 157.14 28.19 Favored 'General case' 0 C--N 1.391 2.387 0 CA-C-O 122.203 1.001 . . . . 0.0 112.55 -170.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.8 p -139.5 159.33 42.4 Favored 'General case' 0 C--N 1.39 2.337 0 CA-C-O 122.067 0.936 . . . . 0.0 111.963 167.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 43.6 p90 -126.18 154.89 42.61 Favored 'General case' 0 C--N 1.381 1.946 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -167.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.718 ' HZ2' ' C ' ' A' ' 59' ' ' LEU . 13.7 mmtt -111.15 113.46 25.99 Favored 'General case' 0 C--N 1.385 2.144 0 N-CA-C 105.864 -1.902 . . . . 0.0 105.864 -178.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -116.82 113.74 22.95 Favored 'General case' 0 CA--C 1.577 2.002 0 N-CA-C 102.981 -2.97 . . . . 0.0 102.981 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.83 -14.74 4.81 Favored 'Isoleucine or valine' 0 C--N 1.392 2.443 0 N-CA-C 115.789 1.774 . . . . 0.0 115.789 -152.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.517 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -88.98 -102.35 0.09 Allowed 'General case' 0 CA--C 1.579 2.076 1 C-N-CA 134.508 5.123 . . . . 0.0 107.797 179.265 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.2 t 72.12 168.82 0.32 Allowed 'General case' 0 C--N 1.393 2.469 0 O-C-N 120.704 -1.247 . . . . 0.0 110.948 -174.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -62.71 -46.92 85.88 Favored 'General case' 0 C--N 1.391 2.401 0 O-C-N 121.634 -0.666 . . . . 0.0 109.688 175.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -74.44 -2.9 27.57 Favored 'General case' 0 CA--C 1.576 1.98 0 C-N-CA 129.187 2.995 . . . . 0.0 113.951 -175.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 62.81 74.58 0.43 Allowed 'General case' 0 C--N 1.394 2.541 0 CA-C-N 122.967 2.622 . . . . 0.0 106.379 176.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 tp -161.33 161.05 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.389 2.307 0 C-N-CA 118.284 -1.366 . . . . 0.0 113.535 -171.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.1 mt -101.43 84.8 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.389 2.284 0 CA-C-O 123.6 1.667 . . . . 0.0 106.797 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.15 111.64 16.75 Favored 'General case' 0 C--N 1.381 1.959 0 N-CA-C 101.941 -3.355 . . . . 0.0 101.941 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.86 -170.61 3.23 Favored 'General case' 0 C--N 1.39 2.366 0 CA-C-N 115.077 -0.965 . . . . 0.0 112.721 -160.465 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 175.92 -169.37 42.01 Favored Glycine 0 C--N 1.393 3.744 1 C-N-CA 112.683 -4.579 . . . . 0.0 120.155 -172.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.0 t -75.32 112.08 11.25 Favored 'General case' 0 C--N 1.382 2.02 0 CA-C-N 112.645 -1.777 . . . . 0.0 108.293 -177.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.4 -114.41 0.3 Allowed Glycine 1 C--N 1.403 4.281 0 C-N-CA 117.631 -2.223 . . . . 0.0 109.294 -179.176 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.457 ' SG ' ' N ' ' A' ' 40' ' ' PHE 2.405 45.4 t 101.9 -166.51 0.0 OUTLIER 'General case' 0 C--N 1.385 2.123 0 N-CA-C 116.807 2.151 . . . . 0.0 116.807 174.123 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.457 ' N ' ' SG ' ' A' ' 39' ' ' CYS . 5.0 m-85 66.3 57.51 0.74 Allowed 'General case' 0 C--N 1.387 2.208 0 CA-C-N 113.704 -1.589 . . . . 0.0 109.265 167.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 45.5 p -84.59 123.08 74.88 Favored Pre-proline 0 C--N 1.392 2.447 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 176.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -78.36 172.03 15.99 Favored 'Trans proline' 0 C--N 1.398 3.159 0 CA-C-O 122.676 1.032 . . . . 0.0 113.217 -173.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -86.31 54.85 3.3 Favored 'General case' 0 C--N 1.386 2.195 0 N-CA-C 107.1 -1.444 . . . . 0.0 107.1 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -104.14 2.15 43.99 Favored Glycine 0 C--N 1.39 3.554 0 CA-C-O 117.504 -1.72 . . . . 0.0 114.737 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.286 25.1 m-20 69.59 39.13 1.6 Allowed 'General case' 0 C--N 1.385 2.121 0 CA-C-N 120.845 2.323 . . . . 0.0 110.057 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 24.8 ttm -118.73 123.15 29.29 Favored Pre-proline 0 CA--C 1.583 2.242 0 N-CA-C 104.608 -2.368 . . . . 0.0 104.608 173.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -76.45 124.07 7.47 Favored 'Trans proline' 0 C--N 1.396 3.032 0 C-N-CA 122.111 1.874 . . . . 0.0 111.158 -171.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -130.67 173.3 20.19 Favored Glycine 0 C--N 1.397 3.952 0 O-C-N 121.01 -1.057 . . . . 0.0 114.573 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -53.21 161.2 3.83 Favored 'Trans proline' 0 C--N 1.393 2.894 0 C-N-CA 123.428 2.752 . . . . 0.0 116.412 174.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -89.62 129.27 36.09 Favored 'General case' 0 C--N 1.386 2.176 0 N-CA-C 105.762 -1.94 . . . . 0.0 105.762 178.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 10.1 m -118.33 155.56 30.43 Favored 'General case' 0 C--N 1.391 2.389 0 CA-C-O 123.407 1.575 . . . . 0.0 114.625 -170.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.9 t -137.4 169.05 18.44 Favored 'General case' 0 C--N 1.379 1.869 0 CA-C-N 112.799 -2.001 . . . . 0.0 111.511 -177.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -132.8 40.02 3.28 Favored 'General case' 0 C--N 1.379 1.858 0 CA-C-O 121.523 0.678 . . . . 0.0 110.218 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.7 t -137.62 154.44 49.74 Favored 'General case' 0 C--N 1.381 1.978 0 C-N-CA 124.843 1.257 . . . . 0.0 110.392 -177.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.538 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 37.3 t0 -56.66 127.23 30.37 Favored 'General case' 0 C--N 1.388 2.245 0 N-CA-C 106.911 -1.515 . . . . 0.0 106.911 176.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.538 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.305 5.2 mptt 72.76 -87.18 0.03 OUTLIER 'General case' 0 C--N 1.396 2.603 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 -179.533 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 35.4 t 68.24 67.59 0.33 Allowed 'General case' 0 C--N 1.38 1.921 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 m120 72.16 75.55 0.16 Allowed 'General case' 0 C--N 1.389 2.288 0 N-CA-C 105.684 -1.969 . . . . 0.0 105.684 173.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.718 ' C ' ' HZ2' ' A' ' 24' ' ' LYS 0.258 10.3 tp . . . . . 0 CA--C 1.588 2.416 0 C-N-CA 129.088 2.955 . . . . 0.0 107.43 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 1 N--CA 1.549 4.504 0 CA-C-O 116.121 -1.895 . . . . 0.0 107.929 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 24.9 mm -114.38 114.23 46.05 Favored 'Isoleucine or valine' 0 C--N 1.394 2.532 0 CA-C-N 122.127 2.24 . . . . 0.0 107.205 175.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.286 81.3 m -124.31 151.17 44.6 Favored 'General case' 0 C--N 1.398 2.702 0 N-CA-C 107.1 -1.444 . . . . 0.0 107.1 164.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -97.13 145.15 26.28 Favored 'General case' 0 C--N 1.387 2.197 0 C-N-CA 119.121 -1.032 . . . . 0.0 113.681 -168.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 51.6 p-10 -124.73 24.75 7.66 Favored 'General case' 0 C--N 1.385 2.137 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.597 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.181 2.1 m-70 -74.58 -162.57 0.16 Allowed 'General case' 0 C--N 1.385 2.151 0 C-N-CA 128.89 2.876 . . . . 0.0 112.329 177.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 63.5 mt 69.12 179.19 0.24 Allowed 'General case' 0 C--N 1.384 2.082 0 CA-C-O 123.393 1.568 . . . . 0.0 114.152 172.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.14 18.73 52.94 Favored Glycine 0 C--N 1.382 3.118 0 CA-C-O 117.392 -1.782 . . . . 0.0 111.927 -175.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.0 m 104.46 -38.2 0.01 OUTLIER 'General case' 0 C--N 1.393 2.49 0 C-N-CA 131.371 3.868 . . . . 0.0 109.815 -175.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.599 ' HZ2' ' CG ' ' A' ' 30' ' ' ASP . 8.1 mptt -70.94 161.03 80.37 Favored Pre-proline 0 CA--C 1.579 2.096 0 C-N-CA 124.746 1.218 . . . . 0.0 112.869 -171.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -69.86 173.11 11.54 Favored 'Trans proline' 0 C--N 1.398 3.143 0 N-CA-C 115.081 1.146 . . . . 0.0 115.081 -178.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -67.26 153.59 76.72 Favored 'Trans proline' 0 C--N 1.393 2.872 0 N-CA-C 117.677 2.145 . . . . 0.0 117.677 -176.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.334 61.2 p -170.84 132.78 0.9 Allowed 'General case' 0 C--N 1.381 1.952 0 N-CA-C 103.814 -2.661 . . . . 0.0 103.814 177.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 44.8 p -125.38 146.02 49.78 Favored 'General case' 0 C--N 1.374 1.632 0 CA-C-N 113.734 -1.575 . . . . 0.0 108.845 -173.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -103.73 98.59 8.43 Favored 'General case' 0 C--N 1.378 1.845 0 CA-C-O 123.908 1.813 . . . . 0.0 107.294 -169.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 53.1 m -72.78 118.75 16.1 Favored 'General case' 0 C--N 1.388 2.26 0 N-CA-C 103.177 -2.897 . . . . 0.0 103.177 172.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.8 t -146.75 160.02 42.76 Favored 'General case' 0 C--N 1.387 2.221 0 CA-C-O 121.666 0.746 . . . . 0.0 112.685 -166.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -140.76 68.87 1.34 Allowed 'General case' 0 C--N 1.381 1.945 0 N-CA-C 104.908 -2.256 . . . . 0.0 104.908 171.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -119.67 120.06 35.52 Favored 'General case' 0 C--N 1.379 1.878 0 N-CA-C 102.709 -3.071 . . . . 0.0 102.709 177.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.231 1.1 m-20 -31.37 -51.6 0.19 Allowed 'General case' 0 C--N 1.388 2.273 0 C-N-CA 128.794 2.838 . . . . 0.0 110.967 -171.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.9 m -133.55 144.06 49.11 Favored 'General case' 0 C--N 1.387 2.216 0 CA-C-O 123.331 1.538 . . . . 0.0 109.219 173.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.27 28.6 p -121.51 148.46 44.44 Favored 'General case' 0 C--N 1.384 2.078 0 CA-C-O 122.981 1.372 . . . . 0.0 110.414 173.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -121.57 162.24 20.95 Favored 'General case' 0 C--N 1.382 2.004 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 -163.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.574 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -109.23 117.16 33.37 Favored 'General case' 0 C--N 1.381 1.971 0 CA-C-N 111.108 -2.769 . . . . 0.0 106.549 178.221 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.499 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 1.6 t30 -117.94 130.01 55.96 Favored 'General case' 0 CA--C 1.579 2.064 0 C-N-CA 129.014 2.926 . . . . 0.0 104.365 -177.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -141.65 30.34 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.406 3.06 0 CA-C-O 122.823 1.297 . . . . 0.0 114.295 -147.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.499 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -151.04 -106.32 0.06 Allowed 'General case' 0 CA--C 1.59 2.519 0 C-N-CA 127.396 2.278 . . . . 0.0 106.022 -166.331 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.291 51.5 m 65.49 170.13 0.21 Allowed 'General case' 0 C--N 1.396 2.621 0 C-N-CA 126.59 1.956 . . . . 0.0 115.385 171.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -70.85 -36.07 72.7 Favored 'General case' 0 C--N 1.399 2.755 0 C-N-CA 119.043 -1.063 . . . . 0.0 110.523 -176.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.599 ' CG ' ' HZ2' ' A' ' 10' ' ' LYS . 86.6 m-20 -60.58 -23.3 64.56 Favored 'General case' 0 C--N 1.391 2.37 0 CA-C-N 119.974 1.261 . . . . 0.0 109.871 175.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 72.3 77.82 0.15 Allowed 'General case' 0 C--N 1.394 2.505 0 N-CA-C 104.673 -2.343 . . . . 0.0 104.673 178.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.1 tp -177.26 170.0 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.393 2.493 0 CA-C-N 114.956 -1.02 . . . . 0.0 112.604 -166.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.3 mp -94.56 101.11 12.16 Favored 'Isoleucine or valine' 0 C--N 1.385 2.124 0 N-CA-C 104.205 -2.517 . . . . 0.0 104.205 172.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.417 HH11 ' HG2' ' A' ' 34' ' ' ARG . 3.4 ttp85 -150.27 134.9 17.45 Favored 'General case' 0 C--N 1.385 2.142 0 N-CA-C 104.597 -2.372 . . . . 0.0 104.597 -178.021 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 8.7 ptt-85 -172.52 -174.89 1.25 Allowed 'General case' 0 C--N 1.397 2.64 0 C-N-CA 116.624 -2.03 . . . . 0.0 112.204 -146.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 173.46 -168.04 40.86 Favored Glycine 0 C--N 1.394 3.777 0 C-N-CA 114.334 -3.793 . . . . 0.0 118.405 -176.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 56.7 m -71.1 122.59 20.37 Favored 'General case' 0 C--N 1.385 2.144 0 CA-C-N 114.043 -1.078 . . . . 0.0 111.004 -178.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.03 -99.88 0.13 Allowed Glycine 1 C--N 1.403 4.277 0 N-CA-C 105.955 -2.858 . . . . 0.0 105.955 170.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.369 29.0 t 95.75 -165.97 0.0 OUTLIER 'General case' 0 C--N 1.384 2.08 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 172.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 64.49 41.95 5.31 Favored 'General case' 0 C--N 1.384 2.074 0 CA-C-N 114.339 -1.3 . . . . 0.0 111.885 166.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.9 t -125.68 75.93 70.17 Favored Pre-proline 0 C--N 1.384 2.088 0 N-CA-C 104.189 -2.523 . . . . 0.0 104.189 175.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -101.99 67.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.402 3.344 0 N-CA-C 105.261 -2.63 . . . . 0.0 105.261 -173.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.09 132.95 5.74 Favored 'General case' 0 C--N 1.384 2.089 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 -178.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.25 -19.65 79.51 Favored Glycine 0 C--N 1.391 3.629 0 CA-C-O 117.877 -1.513 . . . . 0.0 114.178 -177.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -93.97 26.9 3.0 Favored 'General case' 0 C--N 1.384 2.087 0 CA-C-N 120.454 2.127 . . . . 0.0 112.069 -176.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.0 ttt -154.09 91.65 3.13 Favored Pre-proline 0 C--N 1.381 1.935 0 N-CA-C 101.85 -3.389 . . . . 0.0 101.85 171.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -64.1 155.61 63.82 Favored 'Trans proline' 0 C--N 1.4 3.271 0 N-CA-C 116.243 1.593 . . . . 0.0 116.243 -172.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -167.8 179.75 40.95 Favored Glycine 0 C--N 1.39 3.56 0 C-N-CA 119.444 -1.36 . . . . 0.0 114.249 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_exo -65.82 -174.76 0.4 Allowed 'Trans proline' 0 C--N 1.393 2.891 0 C-N-CA 123.409 2.739 . . . . 0.0 115.629 172.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -114.97 136.65 52.89 Favored 'General case' 0 C--N 1.389 2.293 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 5.1 m -119.84 161.94 19.96 Favored 'General case' 0 C--N 1.392 2.433 0 N-CA-C 116.573 2.064 . . . . 0.0 116.573 -167.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.6 t -149.97 159.59 44.27 Favored 'General case' 0 C--N 1.386 2.166 0 CA-C-N 114.117 -1.401 . . . . 0.0 110.184 174.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.7 41.64 2.65 Favored 'General case' 0 C--N 1.39 2.369 0 O-C-N 121.677 -0.64 . . . . 0.0 111.498 -175.336 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 t -143.21 164.06 31.23 Favored 'General case' 0 C--N 1.386 2.193 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.516 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 24.3 t0 -61.37 111.38 1.74 Allowed 'General case' 0 C--N 1.389 2.3 0 N-CA-C 105.972 -1.862 . . . . 0.0 105.972 -178.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.516 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.291 2.7 mptt 70.86 -63.39 0.42 Allowed 'General case' 0 C--N 1.393 2.479 0 C-N-CA 127.143 2.177 . . . . 0.0 108.716 -173.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.261 6.4 t 73.86 -44.65 0.58 Allowed 'General case' 0 C--N 1.383 2.063 0 C-N-CA 128.186 2.594 . . . . 0.0 109.077 -178.56 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -174.49 62.51 0.02 OUTLIER 'General case' 0 C--N 1.392 2.422 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.574 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 5.7 tp . . . . . 0 CA--C 1.587 2.401 0 N-CA-C 104.464 -2.421 . . . . 0.0 104.464 -177.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.696 ' H3 ' ' CG ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 1 N--CA 1.545 4.313 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.4 mt -99.57 133.93 40.66 Favored 'Isoleucine or valine' 0 C--N 1.395 2.551 0 CA-C-N 119.519 1.054 . . . . 0.0 109.065 178.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 67.7 m -145.35 155.38 43.15 Favored 'General case' 0 C--N 1.387 2.204 0 CA-C-O 121.929 0.871 . . . . 0.0 109.668 167.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -68.48 152.42 45.43 Favored 'General case' 0 C--N 1.389 2.319 0 O-C-N 121.415 -0.803 . . . . 0.0 111.52 -177.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -152.54 58.51 0.82 Allowed 'General case' 0 C--N 1.391 2.402 0 N-CA-C 105.306 -2.109 . . . . 0.0 105.306 175.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.187 6.0 m170 -99.21 -150.16 0.37 Allowed 'General case' 0 C--N 1.385 2.148 0 C-N-CA 125.354 1.462 . . . . 0.0 110.246 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.52 ' H ' ' HA ' ' A' ' 11' ' ' PRO 0.266 5.3 mp 65.69 -175.51 0.18 Allowed 'General case' 0 C--N 1.387 2.232 0 CA-C-O 121.935 0.874 . . . . 0.0 113.229 170.452 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.35 -43.05 3.17 Favored Glycine 0 C--N 1.386 3.332 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -172.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.3 m -170.34 -42.5 0.02 OUTLIER 'General case' 0 C--N 1.381 1.965 0 N-CA-C 106.224 -1.769 . . . . 0.0 106.224 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -115.82 109.0 45.77 Favored Pre-proline 0 C--N 1.389 2.307 0 CA-C-O 118.071 -0.966 . . . . 0.0 109.571 -173.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.52 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 85.6 Cg_exo -83.95 3.29 7.72 Favored 'Trans proline' 0 C--N 1.41 3.769 0 N-CA-C 120.421 3.2 . . . . 0.0 120.421 175.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -72.41 -13.22 27.78 Favored 'Trans proline' 0 C--N 1.4 3.266 1 N-CA-C 124.217 4.66 . . . . 0.0 124.217 -176.559 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.3 p -113.63 157.85 21.59 Favored 'General case' 0 C--N 1.394 2.509 0 CA-C-N 125.644 3.838 . . . . 0.0 117.4 -174.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.9 p -133.48 146.2 50.9 Favored 'General case' 0 C--N 1.379 1.875 0 CA-C-N 112.132 -2.303 . . . . 0.0 108.088 -177.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -107.72 93.51 4.58 Favored 'General case' 0 C--N 1.379 1.872 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 -166.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.6 m -73.6 99.43 3.07 Favored 'General case' 0 C--N 1.395 2.562 0 N-CA-C 101.634 -3.469 . . . . 0.0 101.634 176.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.4 t -125.4 156.95 37.99 Favored 'General case' 0 C--N 1.394 2.541 0 CA-C-O 124.205 1.955 . . . . 0.0 114.411 -166.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.4 pm0 -91.86 -9.87 41.79 Favored 'General case' 0 C--N 1.377 1.77 0 CA-C-N 111.851 -2.431 . . . . 0.0 112.584 -176.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -71.77 128.64 36.44 Favored 'General case' 0 C--N 1.396 2.589 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 173.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.696 ' CG ' ' H3 ' ' A' ' 1' ' ' ARG 2.156 20.1 m-20 -63.94 6.0 0.2 Allowed 'General case' 0 CA--C 1.591 2.528 0 C-N-CA 129.541 3.136 . . . . 0.0 116.027 -174.269 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.9 m -160.98 150.26 16.83 Favored 'General case' 0 C--N 1.382 2.004 0 CA-C-N 120.918 1.69 . . . . 0.0 107.184 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.375 25.8 p -139.25 145.46 39.23 Favored 'General case' 0 C--N 1.39 2.346 0 CA-C-O 123.283 1.516 . . . . 0.0 113.592 -178.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -118.59 159.4 23.64 Favored 'General case' 0 C--N 1.391 2.376 0 N-CA-C 115.902 1.816 . . . . 0.0 115.902 -160.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.587 ' HZ1' ' C ' ' A' ' 59' ' ' LEU . 40.9 mttm -105.57 123.64 48.24 Favored 'General case' 0 C--N 1.387 2.223 0 CA-C-O 123.306 1.526 . . . . 0.0 107.802 -179.068 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.511 ' HA ' ' HE1' ' A' ' 27' ' ' TRP . 1.1 t30 -118.67 121.95 41.38 Favored 'General case' 0 CA--C 1.575 1.907 0 N-CA-C 103.403 -2.814 . . . . 0.0 103.403 177.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.4 pp -139.23 17.38 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.392 2.45 0 N-CA-C 116.213 1.931 . . . . 0.0 116.213 -159.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.563 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -139.16 -109.22 0.16 Allowed 'General case' 0 CA--C 1.585 2.299 0 C-N-CA 128.75 2.82 . . . . 0.0 105.706 -161.219 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.318 1.8 m 64.36 161.0 0.11 Allowed 'General case' 0 C--N 1.397 2.641 0 C-N-CA 126.205 1.802 . . . . 0.0 114.872 174.043 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -62.65 -41.35 99.0 Favored 'General case' 0 C--N 1.394 2.515 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.204 -178.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -72.06 -0.77 12.56 Favored 'General case' 0 CA--C 1.578 2.033 0 CA-C-O 116.948 -1.501 . . . . 0.0 112.796 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 61.85 70.56 0.58 Allowed 'General case' 0 C--N 1.398 2.711 0 CA-C-N 122.812 2.551 . . . . 0.0 107.233 171.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 tp -166.26 168.82 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.392 2.413 0 C-N-CA 116.988 -1.885 . . . . 0.0 113.69 -172.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 mp -106.78 107.82 23.68 Favored 'Isoleucine or valine' 0 C--N 1.385 2.109 0 N-CA-C 103.371 -2.826 . . . . 0.0 103.371 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.424 ' CG ' HH11 ' A' ' 34' ' ' ARG . 7.5 ttp85 -157.09 84.76 0.94 Allowed 'General case' 0 C--N 1.39 2.339 0 N-CA-C 102.383 -3.192 . . . . 0.0 102.383 -165.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -117.13 -174.08 2.52 Favored 'General case' 0 C--N 1.371 1.534 0 CA-C-N 110.178 -3.192 . . . . 0.0 113.683 -163.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 178.02 -165.08 34.34 Favored Glycine 0 C--N 1.391 3.602 1 C-N-CA 113.565 -4.16 . . . . 0.0 116.346 -170.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.3 p -94.01 118.76 31.95 Favored 'General case' 0 C--N 1.386 2.163 0 CA-C-O 122.513 1.149 . . . . 0.0 109.882 -177.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.63 -96.27 0.11 Allowed Glycine 0 C--N 1.393 3.742 0 N-CA-C 106.276 -2.729 . . . . 0.0 106.276 178.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.38 45.8 t 82.08 -60.45 0.19 Allowed 'General case' 0 C--N 1.385 2.113 0 CA-C-O 121.6 0.715 . . . . 0.0 109.347 -179.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -82.16 72.04 9.21 Favored 'General case' 0 C--N 1.382 1.986 0 N-CA-C 102.327 -3.212 . . . . 0.0 102.327 177.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.8 t -111.5 123.27 35.3 Favored Pre-proline 0 C--N 1.389 2.317 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 -174.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -75.6 -176.26 2.88 Favored 'Trans proline' 0 C--N 1.39 2.753 0 CA-C-O 121.998 0.749 . . . . 0.0 111.979 171.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.65 101.16 6.76 Favored 'General case' 0 C--N 1.379 1.857 0 N-CA-C 104.203 -2.517 . . . . 0.0 104.203 177.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -87.22 50.38 4.09 Favored Glycine 0 C--N 1.392 3.688 0 N-CA-C 107.87 -2.092 . . . . 0.0 107.87 172.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.363 1.0 OUTLIER 54.58 46.8 24.05 Favored 'General case' 0 C--N 1.383 2.035 0 C-N-CA 125.264 1.426 . . . . 0.0 107.91 -172.688 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 27.6 mtt -136.14 143.05 42.32 Favored Pre-proline 0 C--N 1.388 2.269 0 C-N-CA 126.232 1.813 . . . . 0.0 107.031 174.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_exo -74.07 127.63 11.53 Favored 'Trans proline' 0 C--N 1.396 3.044 0 CA-C-O 121.705 0.627 . . . . 0.0 111.573 -178.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -90.64 163.27 29.65 Favored Glycine 0 C--N 1.392 3.657 0 O-C-N 120.844 -1.16 . . . . 0.0 114.559 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -70.96 -173.76 0.97 Allowed 'Trans proline' 0 C--N 1.392 2.861 0 C-N-CA 123.681 2.921 . . . . 0.0 116.398 178.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -124.8 146.6 49.15 Favored 'General case' 0 C--N 1.389 2.292 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.567 177.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 2.8 m -122.93 167.95 12.91 Favored 'General case' 0 C--N 1.404 2.943 0 N-CA-C 121.521 3.897 . . . . 0.0 121.521 -155.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.9 t -144.13 163.91 32.21 Favored 'General case' 0 C--N 1.386 2.168 0 CA-C-N 112.481 -2.145 . . . . 0.0 110.943 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -128.43 53.55 1.82 Allowed 'General case' 0 C--N 1.383 2.059 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 174.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.2 t -129.98 161.12 31.64 Favored 'General case' 0 C--N 1.384 2.082 0 CA-C-O 122.203 1.002 . . . . 0.0 111.631 -178.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.478 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 30.2 t0 -75.16 116.57 16.03 Favored 'General case' 0 C--N 1.383 2.044 0 N-CA-C 104.574 -2.38 . . . . 0.0 104.574 173.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.478 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.289 9.0 mptt 73.42 -38.43 0.41 Allowed 'General case' 0 C--N 1.393 2.467 0 C-N-CA 125.928 1.691 . . . . 0.0 112.348 -179.855 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.1 t 57.46 31.97 21.07 Favored 'General case' 0 CA--C 1.588 2.413 0 CA-C-N 120.922 1.692 . . . . 0.0 108.95 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.255 29.2 t30 70.13 -65.72 0.31 Allowed 'General case' 0 C--N 1.393 2.468 0 C-N-CA 130.517 3.527 . . . . 0.0 108.67 -173.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.587 ' C ' ' HZ1' ' A' ' 24' ' ' LYS . 23.8 tp . . . . . 0 CA--C 1.58 2.11 1 N-CA-C 99.294 -4.335 . . . . 0.0 99.294 -178.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 1 N--CA 1.54 4.051 0 CA-C-O 118.15 -0.929 . . . . 0.0 109.264 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.8 mt -91.85 127.28 44.23 Favored 'Isoleucine or valine' 0 C--N 1.398 2.713 0 CA-C-N 119.836 1.198 . . . . 0.0 109.831 -177.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.0 m -140.87 147.34 38.76 Favored 'General case' 0 C--N 1.391 2.383 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 164.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -77.66 157.61 30.1 Favored 'General case' 0 C--N 1.388 2.271 0 O-C-N 121.038 -1.038 . . . . 0.0 113.775 -169.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -130.81 6.86 4.71 Favored 'General case' 0 C--N 1.387 2.213 0 CA-C-O 117.975 -1.012 . . . . 0.0 112.227 175.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.224 49.5 m-70 -71.17 -159.01 0.04 OUTLIER 'General case' 0 C--N 1.39 2.332 0 C-N-CA 126.382 1.873 . . . . 0.0 113.695 -178.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 mp 71.26 179.11 0.24 Allowed 'General case' 0 C--N 1.39 2.355 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 175.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.05 -46.84 3.67 Favored Glycine 0 C--N 1.389 3.476 0 O-C-N 121.766 -0.584 . . . . 0.0 112.777 -176.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.4 m -172.98 -51.44 0.02 OUTLIER 'General case' 0 C--N 1.379 1.855 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 -173.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.477 ' HZ2' ' CG2' ' A' ' 13' ' ' THR . 0.8 OUTLIER -84.27 141.96 40.38 Favored Pre-proline 0 C--N 1.39 2.331 0 C-N-CA 118.903 -1.119 . . . . 0.0 110.031 -168.924 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -54.58 152.93 25.32 Favored 'Trans proline' 0 C--N 1.396 3.054 0 C-N-CA 121.594 1.529 . . . . 0.0 113.263 176.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -45.61 137.68 11.59 Favored 'Trans proline' 0 C--N 1.389 2.704 0 C-N-CA 122.742 2.294 . . . . 0.0 115.836 -177.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.477 ' CG2' ' HZ2' ' A' ' 10' ' ' LYS 0.259 8.4 p -160.64 124.58 3.53 Favored 'General case' 0 C--N 1.38 1.919 0 N-CA-C 101.719 -3.438 . . . . 0.0 101.719 177.287 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 60.1 p -122.11 144.55 48.86 Favored 'General case' 0 C--N 1.382 1.996 0 CA-C-O 122.521 1.153 . . . . 0.0 110.544 -169.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -97.26 101.98 13.65 Favored 'General case' 0 C--N 1.386 2.177 0 CA-C-N 114.902 -1.044 . . . . 0.0 108.555 -166.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.4 m -77.96 105.99 9.53 Favored 'General case' 0 C--N 1.393 2.458 0 N-CA-C 101.378 -3.564 . . . . 0.0 101.378 169.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -116.81 150.23 38.67 Favored 'General case' 0 C--N 1.386 2.167 0 CA-C-O 122.609 1.195 . . . . 0.0 111.086 -169.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -72.39 -31.97 66.01 Favored 'General case' 0 C--N 1.382 2.018 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.507 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -61.35 129.73 42.67 Favored 'General case' 0 C--N 1.385 2.133 0 CA-C-O 123.737 1.732 . . . . 0.0 108.944 -174.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.078 47.3 m-20 -50.96 -39.86 56.19 Favored 'General case' 0 C--N 1.385 2.15 0 C-N-CA 130.033 3.333 . . . . 0.0 112.379 -178.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.4 t -117.55 135.44 53.95 Favored 'General case' 0 C--N 1.384 2.071 0 CA-C-O 123.774 1.75 . . . . 0.0 108.909 -172.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.6 p -139.11 146.21 40.41 Favored 'General case' 0 C--N 1.383 2.031 0 CA-C-O 123.335 1.54 . . . . 0.0 109.568 176.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -123.24 164.89 17.88 Favored 'General case' 0 C--N 1.379 1.857 0 N-CA-C 116.21 1.93 . . . . 0.0 116.21 -163.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.505 ' HZ1' ' C ' ' A' ' 59' ' ' LEU . 31.0 mttt -111.91 130.29 55.89 Favored 'General case' 0 C--N 1.387 2.215 0 CA-C-O 123.92 1.819 . . . . 0.0 109.377 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.441 ' H ' ' HB3' ' A' ' 35' ' ' ARG . 0.7 OUTLIER -125.89 118.74 26.1 Favored 'General case' 0 CA--C 1.575 1.906 0 N-CA-C 103.037 -2.949 . . . . 0.0 103.037 -178.208 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -135.08 -13.93 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.399 2.743 0 N-CA-C 118.369 2.729 . . . . 0.0 118.369 -154.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.513 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -82.7 -105.19 0.04 OUTLIER 'General case' 0 CA--C 1.587 2.395 1 C-N-CA 133.839 4.856 . . . . 0.0 106.655 176.959 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.1 t 77.31 161.4 0.22 Allowed 'General case' 0 C--N 1.392 2.446 0 C-N-CA 125.384 1.474 . . . . 0.0 112.958 175.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -68.97 -45.73 69.93 Favored 'General case' 0 C--N 1.39 2.352 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.227 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -66.9 -6.67 17.42 Favored 'General case' 0 CA--C 1.579 2.068 0 CA-C-O 116.695 -1.621 . . . . 0.0 112.854 177.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 65.81 71.05 0.43 Allowed 'General case' 0 C--N 1.397 2.67 0 CA-C-N 123.167 2.712 . . . . 0.0 106.673 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.0 tp -163.26 161.51 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.397 2.664 0 C-N-CA 117.164 -1.814 . . . . 0.0 114.914 -172.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.4 mt -97.54 96.92 5.67 Favored 'Isoleucine or valine' 0 C--N 1.392 2.434 0 N-CA-C 105.95 -1.871 . . . . 0.0 105.95 177.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.16 113.05 8.15 Favored 'General case' 0 C--N 1.384 2.103 0 N-CA-C 103.132 -2.914 . . . . 0.0 103.132 -179.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.441 ' HB3' ' H ' ' A' ' 25' ' ' ASN 0.259 0.0 OUTLIER -141.99 -159.74 1.0 Allowed 'General case' 0 C--N 1.383 2.051 0 CA-C-N 113.828 -1.533 . . . . 0.0 112.392 -161.452 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -175.34 -173.66 41.28 Favored Glycine 0 C--N 1.388 3.428 0 C-N-CA 113.907 -3.997 . . . . 0.0 117.357 -174.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.7 p -98.62 125.82 44.01 Favored 'General case' 0 C--N 1.383 2.04 0 CA-C-O 122.528 1.156 . . . . 0.0 109.014 176.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.56 -90.1 0.08 OUTLIER Glycine 0 C--N 1.39 3.57 0 N-CA-C 103.853 -3.699 . . . . 0.0 103.853 178.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.407 34.7 t 77.68 -161.87 0.03 OUTLIER 'General case' 0 C--N 1.382 2.005 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 172.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 59.24 37.38 23.74 Favored 'General case' 0 C--N 1.381 1.963 0 CA-C-N 113.315 -1.766 . . . . 0.0 108.837 177.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.9 t -116.22 110.48 43.3 Favored Pre-proline 0 C--N 1.389 2.321 0 N-CA-C 105.466 -2.05 . . . . 0.0 105.466 -179.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -81.91 83.2 2.14 Favored 'Trans proline' 0 C--N 1.401 3.319 0 N-CA-C 105.876 -2.394 . . . . 0.0 105.876 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.66 130.2 34.74 Favored 'General case' 0 C--N 1.39 2.342 0 CA-C-O 122.842 1.306 . . . . 0.0 109.048 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -87.3 -79.53 1.23 Allowed Glycine 0 C--N 1.394 3.751 1 N-CA-C 101.064 -4.814 . . . . 0.0 101.064 163.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -140.11 36.36 1.92 Allowed 'General case' 0 C--N 1.39 2.347 0 CA-C-O 122.218 1.009 . . . . 0.0 109.471 167.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 51.3 mtt -71.85 171.85 8.4 Favored Pre-proline 0 C--N 1.391 2.41 0 C-N-CA 124.295 1.038 . . . . 0.0 111.686 174.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -62.04 111.2 1.17 Allowed 'Trans proline' 0 C--N 1.399 3.226 0 N-CA-C 107.276 -1.856 . . . . 0.0 107.276 172.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -177.44 155.48 17.83 Favored Glycine 0 C--N 1.388 3.46 0 N-CA-C 109.87 -1.292 . . . . 0.0 109.87 -178.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -76.01 -177.7 3.84 Favored 'Trans proline' 0 C--N 1.381 2.266 0 C-N-CA 121.63 1.553 . . . . 0.0 109.529 171.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 25.0 p90 -109.53 125.49 52.56 Favored 'General case' 0 C--N 1.382 1.985 0 N-CA-C 104.155 -2.535 . . . . 0.0 104.155 174.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.2 m -114.97 156.44 25.06 Favored 'General case' 0 C--N 1.399 2.727 0 N-CA-C 116.03 1.863 . . . . 0.0 116.03 -166.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.7 t -124.91 165.57 17.85 Favored 'General case' 0 C--N 1.381 1.969 0 CA-C-N 113.162 -1.836 . . . . 0.0 110.839 175.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -125.48 45.25 2.63 Favored 'General case' 0 C--N 1.381 1.956 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 175.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.1 t -155.48 173.04 17.24 Favored 'General case' 0 C--N 1.392 2.451 0 CA-C-O 121.95 0.881 . . . . 0.0 111.441 178.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.562 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 26.8 t0 -70.53 111.77 6.3 Favored 'General case' 0 C--N 1.384 2.068 0 C-N-CA 125.027 1.331 . . . . 0.0 107.801 -171.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.562 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.267 8.3 mptt 73.99 -58.01 0.6 Allowed 'General case' 0 C--N 1.397 2.659 0 C-N-CA 126.777 2.031 . . . . 0.0 112.358 177.712 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.267 29.4 m 60.38 59.86 2.16 Favored 'General case' 0 C--N 1.375 1.714 0 C-N-CA 127.556 2.342 . . . . 0.0 107.547 -177.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 72.95 76.17 0.14 Allowed 'General case' 0 C--N 1.388 2.281 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 169.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.505 ' C ' ' HZ1' ' A' ' 24' ' ' LYS . 0.3 OUTLIER . . . . . 0 CA--C 1.59 2.509 0 N-CA-C 105.009 -2.219 . . . . 0.0 105.009 177.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.2 ttm105 . . . . . 1 N--CA 1.54 4.074 0 N-CA-C 104.94 -2.244 . . . . 0.0 104.94 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.9 mp -137.86 136.6 45.4 Favored 'Isoleucine or valine' 0 C--N 1.387 2.228 0 CA-C-N 121.688 2.04 . . . . 0.0 108.664 178.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.4 m -142.59 140.31 31.66 Favored 'General case' 0 C--N 1.387 2.207 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 171.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -84.2 165.92 17.99 Favored 'General case' 0 C--N 1.386 2.191 0 O-C-N 120.445 -1.409 . . . . 0.0 112.39 -172.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -142.86 32.87 1.4 Allowed 'General case' 0 C--N 1.385 2.118 0 C-N-CA 119.585 -0.846 . . . . 0.0 110.107 176.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.205 3.0 m-70 -85.0 -170.32 3.08 Favored 'General case' 0 C--N 1.387 2.217 0 C-N-CA 127.143 2.177 . . . . 0.0 115.885 -175.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.0 mt 81.6 179.15 0.08 Allowed 'General case' 0 C--N 1.389 2.319 0 N-CA-C 116.008 1.855 . . . . 0.0 116.008 173.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.26 27.46 30.57 Favored Glycine 0 C--N 1.39 3.541 0 CA-C-O 117.681 -1.621 . . . . 0.0 113.505 -175.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.1 m 87.16 -40.33 0.03 OUTLIER 'General case' 0 C--N 1.394 2.51 0 C-N-CA 129.964 3.306 . . . . 0.0 108.557 -174.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -64.51 142.15 98.37 Favored Pre-proline 0 CA--C 1.58 2.134 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -54.16 160.99 5.6 Favored 'Trans proline' 0 C--N 1.392 2.842 0 C-N-CA 123.31 2.674 . . . . 0.0 118.189 -176.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -63.17 145.09 93.33 Favored 'Trans proline' 0 C--N 1.394 2.97 0 C-N-CA 120.852 1.035 . . . . 0.0 113.536 178.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.8 p -159.84 146.97 16.49 Favored 'General case' 0 C--N 1.384 2.078 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 72.0 p -138.76 147.77 43.04 Favored 'General case' 0 C--N 1.385 2.143 0 CA-C-O 121.948 0.88 . . . . 0.0 111.646 -174.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -111.36 125.16 53.56 Favored 'General case' 0 C--N 1.386 2.184 0 CA-C-O 122.368 1.08 . . . . 0.0 109.579 -171.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 52.1 m -86.02 116.75 24.43 Favored 'General case' 0 C--N 1.386 2.192 0 N-CA-C 103.695 -2.706 . . . . 0.0 103.695 176.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.0 t -112.9 149.58 32.97 Favored 'General case' 0 C--N 1.389 2.298 0 CA-C-O 125.028 2.347 . . . . 0.0 111.755 -171.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -159.34 41.82 0.22 Allowed 'General case' 0 C--N 1.373 1.614 0 CA-C-N 110.726 -2.943 . . . . 0.0 105.217 174.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -109.51 45.93 1.04 Allowed 'General case' 0 C--N 1.394 2.507 0 N-CA-C 105.91 -1.885 . . . . 0.0 105.91 173.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.357 1.1 m-20 69.86 -37.98 0.39 Allowed 'General case' 0 C--N 1.388 2.26 0 C-N-CA 128.004 2.522 . . . . 0.0 114.331 178.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.0 p -160.83 179.94 8.09 Favored 'General case' 0 C--N 1.385 2.12 0 O-C-N 121.031 -1.043 . . . . 0.0 113.461 -173.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.7 p -150.52 150.62 31.5 Favored 'General case' 0 C--N 1.387 2.207 0 CA-C-O 123.056 1.407 . . . . 0.0 111.737 174.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -117.18 154.15 31.61 Favored 'General case' 0 C--N 1.38 1.893 0 CA-C-N 114.611 -1.177 . . . . 0.0 113.56 -170.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.558 ' NZ ' ' OXT' ' A' ' 59' ' ' LEU . 14.1 tppt? -98.4 126.65 44.01 Favored 'General case' 0 C--N 1.383 2.057 0 C-N-CA 125.966 1.706 . . . . 0.0 106.527 175.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.57 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 8.8 t30 -127.39 131.77 50.25 Favored 'General case' 0 CA--C 1.583 2.238 0 N-CA-C 105.081 -2.192 . . . . 0.0 105.081 -174.407 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -140.34 39.46 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.402 2.89 0 CA-C-O 123.234 1.492 . . . . 0.0 114.275 -151.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.57 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -168.06 -104.77 0.01 OUTLIER 'General case' 0 CA--C 1.588 2.417 0 N-CA-C 105.31 -2.107 . . . . 0.0 105.31 -161.945 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.347 1.0 OUTLIER 85.64 -94.09 0.01 OUTLIER 'General case' 0 CA--C 1.589 2.464 0 C-N-CA 125.088 1.355 . . . . 0.0 109.054 168.673 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.401 ' C ' ' H ' ' A' ' 31' ' ' ASN . 28.9 p90 -157.84 -50.48 0.07 Allowed 'General case' 0 C--N 1.392 2.418 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 178.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . 0.267 9.8 p30 -75.76 24.02 0.12 Allowed 'General case' 0 CA--C 1.591 2.53 0 C-N-CA 124.593 1.157 . . . . 0.0 110.497 173.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.401 ' H ' ' C ' ' A' ' 29' ' ' PHE . 9.5 t30 35.69 74.39 0.07 Allowed 'General case' 0 C--N 1.398 2.69 1 C-N-CA 132.251 4.22 . . . . 0.0 105.736 175.135 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.6 tp -150.08 154.62 8.77 Favored 'Isoleucine or valine' 0 C--N 1.387 2.199 0 CA-C-O 122.59 1.186 . . . . 0.0 111.779 -169.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.9 mp -79.14 113.85 19.06 Favored 'Isoleucine or valine' 0 C--N 1.39 2.337 0 N-CA-C 103.306 -2.85 . . . . 0.0 103.306 168.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.8 ttp85 -159.62 111.38 2.06 Favored 'General case' 0 C--N 1.38 1.918 0 N-CA-C 101.91 -3.367 . . . . 0.0 101.91 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.41 -170.59 3.12 Favored 'General case' 0 C--N 1.38 1.921 0 CA-C-N 114.047 -1.433 . . . . 0.0 113.796 -161.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -176.92 -179.04 47.13 Favored Glycine 0 C--N 1.391 3.584 1 C-N-CA 112.734 -4.555 . . . . 0.0 120.338 -176.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.2 t -69.83 102.33 1.92 Allowed 'General case' 0 C--N 1.38 1.9 0 CA-C-N 110.493 -2.853 . . . . 0.0 108.577 -177.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.5 -111.67 0.26 Allowed Glycine 0 C--N 1.397 3.918 0 N-CA-C 107.421 -2.272 . . . . 0.0 107.421 174.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.488 ' SG ' ' N ' ' A' ' 40' ' ' PHE 2.316 20.7 t 106.04 -170.96 0.0 OUTLIER 'General case' 0 C--N 1.385 2.138 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 176.496 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.488 ' N ' ' SG ' ' A' ' 39' ' ' CYS 0.259 0.1 OUTLIER 59.94 49.14 8.04 Favored 'General case' 0 C--N 1.379 1.881 0 CA-C-N 113.692 -1.595 . . . . 0.0 108.297 172.159 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.5 t -132.71 74.54 74.57 Favored Pre-proline 0 C--N 1.387 2.212 0 N-CA-C 105.086 -2.19 . . . . 0.0 105.086 174.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -86.74 96.26 0.5 Allowed 'Trans proline' 0 C--N 1.404 3.449 0 N-CA-C 105.59 -2.504 . . . . 0.0 105.59 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.02 151.54 35.9 Favored 'General case' 0 C--N 1.393 2.481 0 CA-C-O 123.157 1.456 . . . . 0.0 114.119 -178.295 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -107.42 -43.43 1.36 Allowed Glycine 0 C--N 1.387 3.416 0 CA-C-N 113.505 -1.679 . . . . 0.0 110.639 174.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -82.54 21.47 0.97 Allowed 'General case' 0 C--N 1.384 2.099 0 C-N-CA 127.041 2.136 . . . . 0.0 114.177 -175.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 18.0 ttm -170.76 109.6 0.42 Allowed Pre-proline 0 C--N 1.373 1.622 0 N-CA-C 101.221 -3.622 . . . . 0.0 101.221 172.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -60.77 133.46 48.17 Favored 'Trans proline' 0 C--N 1.398 3.16 0 CA-C-O 122.661 1.026 . . . . 0.0 113.106 -171.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -124.89 168.32 17.02 Favored Glycine 0 C--N 1.392 3.659 0 CA-C-N 115.284 -0.871 . . . . 0.0 114.535 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -82.69 178.42 6.11 Favored 'Trans proline' 0 C--N 1.387 2.563 0 C-N-CA 122.779 2.319 . . . . 0.0 110.02 176.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -117.27 146.61 43.19 Favored 'General case' 0 C--N 1.388 2.266 0 CA-C-O 118.652 -0.69 . . . . 0.0 110.151 179.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 4.1 m -135.6 162.77 31.77 Favored 'General case' 0 C--N 1.405 2.995 0 N-CA-C 120.258 3.429 . . . . 0.0 120.258 -162.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.0 t -142.1 152.14 42.98 Favored 'General case' 0 C--N 1.39 2.348 0 CA-C-N 113.27 -1.786 . . . . 0.0 110.881 179.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -123.89 51.65 1.52 Allowed 'General case' 0 C--N 1.388 2.273 0 O-C-N 121.391 -0.818 . . . . 0.0 110.827 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 54.3 p -152.45 169.76 21.79 Favored 'General case' 0 C--N 1.381 1.975 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.596 177.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -66.95 110.33 3.31 Favored 'General case' 0 CA--C 1.589 2.455 0 CA-C-O 122.867 1.318 . . . . 0.0 109.745 -167.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.314 0.0 OUTLIER 69.85 -70.7 0.14 Allowed 'General case' 0 C--N 1.396 2.597 0 C-N-CA 129.655 3.182 . . . . 0.0 111.5 -175.42 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 16.3 m 78.93 -47.87 0.42 Allowed 'General case' 0 C--N 1.382 2.015 0 C-N-CA 127.491 2.316 . . . . 0.0 109.52 -173.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -162.1 69.7 0.29 Allowed 'General case' 0 C--N 1.389 2.3 0 N-CA-C 105.371 -2.085 . . . . 0.0 105.371 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.558 ' OXT' ' NZ ' ' A' ' 24' ' ' LYS . 3.3 mm? . . . . . 0 CA--C 1.598 2.812 0 CA-C-O 115.579 -2.153 . . . . 0.0 109.63 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 17' ' ' CYS . 35.3 mtt85 . . . . . 0 N--CA 1.532 3.634 0 N-CA-C 106.388 -1.708 . . . . 0.0 106.388 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.3 mp -140.04 128.91 27.02 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.107 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 177.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.3 m -137.68 151.97 48.81 Favored 'General case' 0 CA--C 1.594 2.662 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 168.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -111.58 148.22 33.76 Favored 'General case' 0 C--N 1.397 2.633 0 O-C-N 120.859 -1.151 . . . . 0.0 114.044 -165.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -123.43 24.03 8.78 Favored 'General case' 0 C--N 1.383 2.036 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.357 -176.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.212 58.1 m-70 -86.27 -153.48 0.19 Allowed 'General case' 0 C--N 1.39 2.369 0 C-N-CA 128.469 2.708 . . . . 0.0 113.334 177.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.261 32.9 mt 67.16 -174.17 0.19 Allowed 'General case' 0 C--N 1.39 2.355 0 CA-C-O 121.901 0.858 . . . . 0.0 110.798 -178.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.12 -71.35 3.0 Favored Glycine 0 C--N 1.384 3.197 0 N-CA-C 104.865 -3.294 . . . . 0.0 104.865 -166.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.8 m 173.81 -45.99 0.01 OUTLIER 'General case' 0 C--N 1.391 2.394 0 C-N-CA 125.096 1.358 . . . . 0.0 107.776 177.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -52.03 153.17 4.87 Favored Pre-proline 0 CA--C 1.587 2.384 0 CA-C-O 121.636 0.731 . . . . 0.0 110.22 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -55.66 159.44 11.27 Favored 'Trans proline' 0 C--N 1.399 3.226 0 N-CA-C 116.258 1.599 . . . . 0.0 116.258 -171.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -68.37 144.31 61.37 Favored 'Trans proline' 0 C--N 1.399 3.194 0 CA-C-O 124.116 1.632 . . . . 0.0 115.645 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.2 p -146.69 129.32 16.07 Favored 'General case' 0 C--N 1.378 1.813 0 N-CA-C 102.874 -3.01 . . . . 0.0 102.874 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 46.3 p -132.87 145.99 51.42 Favored 'General case' 0 C--N 1.38 1.924 0 O-C-N 121.169 -0.957 . . . . 0.0 109.513 -168.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -107.16 95.26 5.59 Favored 'General case' 0 C--N 1.381 1.968 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 -172.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.4 m -79.44 106.4 11.45 Favored 'General case' 0 C--N 1.393 2.47 0 N-CA-C 102.014 -3.328 . . . . 0.0 102.014 166.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 1' ' ' ARG . 5.0 t -119.19 155.83 30.96 Favored 'General case' 0 C--N 1.385 2.115 0 C-N-CA 124.211 1.004 . . . . 0.0 111.827 -174.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.91 42.47 2.17 Favored 'General case' 0 C--N 1.376 1.742 0 C-N-CA 125.73 1.612 . . . . 0.0 111.227 -177.317 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -119.34 158.74 25.52 Favored 'General case' 0 C--N 1.389 2.286 0 CA-C-O 122.327 1.061 . . . . 0.0 113.862 -176.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.087 1.3 m-20 -45.94 -49.24 16.0 Favored 'General case' 0 C--N 1.384 2.095 0 C-N-CA 128.573 2.749 . . . . 0.0 109.363 178.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 65.9 m -131.94 145.05 51.26 Favored 'General case' 0 C--N 1.392 2.427 0 CA-C-O 123.397 1.57 . . . . 0.0 113.108 -175.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.337 12.1 p -135.66 137.46 41.84 Favored 'General case' 0 C--N 1.385 2.152 0 CA-C-O 123.759 1.742 . . . . 0.0 108.154 167.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -119.25 160.1 22.83 Favored 'General case' 0 C--N 1.379 1.863 0 CA-C-N 113.659 -1.61 . . . . 0.0 114.582 -161.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.413 ' HZ1' ' C ' ' A' ' 59' ' ' LEU . 69.8 mmtt -101.12 126.98 47.87 Favored 'General case' 0 C--N 1.386 2.16 0 CA-C-N 112.575 -2.102 . . . . 0.0 107.547 176.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.512 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 5.6 t30 -118.97 126.29 51.4 Favored 'General case' 0 CA--C 1.579 2.084 0 N-CA-C 102.753 -3.054 . . . . 0.0 102.753 179.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.7 -11.64 3.7 Favored 'Isoleucine or valine' 0 C--N 1.401 2.814 0 N-CA-C 117.859 2.54 . . . . 0.0 117.859 -150.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.512 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -94.22 -107.43 0.13 Allowed 'General case' 0 CA--C 1.588 2.436 1 C-N-CA 133.594 4.758 . . . . 0.0 107.973 -174.254 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.5 t 77.2 151.87 0.13 Allowed 'General case' 0 C--N 1.39 2.367 0 C-N-CA 125.959 1.704 . . . . 0.0 114.104 173.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -56.93 -40.49 76.45 Favored 'General case' 0 C--N 1.393 2.478 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.792 175.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -80.09 4.05 18.46 Favored 'General case' 0 CA--C 1.575 1.937 0 C-N-CA 126.38 1.872 . . . . 0.0 112.915 -176.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 62.83 68.68 0.63 Allowed 'General case' 0 C--N 1.399 2.755 0 CA-C-N 122.851 2.569 . . . . 0.0 106.278 174.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 tp -166.18 162.99 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.394 2.533 0 C-N-CA 116.358 -2.137 . . . . 0.0 114.128 -170.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 74.7 mt -98.88 105.9 18.06 Favored 'Isoleucine or valine' 0 C--N 1.389 2.288 0 N-CA-C 103.956 -2.609 . . . . 0.0 103.956 175.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 6.3 ttp85 -142.13 113.21 7.53 Favored 'General case' 0 C--N 1.387 2.228 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 -171.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.11 -170.76 3.49 Favored 'General case' 0 C--N 1.397 2.673 0 N-CA-C 115.28 1.585 . . . . 0.0 115.28 -153.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 179.18 -163.82 31.6 Favored Glycine 0 C--N 1.397 3.956 0 C-N-CA 114.328 -3.796 . . . . 0.0 117.526 -169.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.8 p -95.55 118.37 32.14 Favored 'General case' 0 C--N 1.395 2.576 0 CA-C-O 123.334 1.54 . . . . 0.0 111.421 -176.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.21 -98.69 0.11 Allowed Glycine 0 C--N 1.393 3.717 0 N-CA-C 105.089 -3.204 . . . . 0.0 105.089 176.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.359 8.1 t 74.99 -150.73 0.04 OUTLIER 'General case' 0 C--N 1.39 2.327 0 C-N-CA 118.658 -1.217 . . . . 0.0 111.529 -178.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 59.78 42.38 16.79 Favored 'General case' 0 C--N 1.382 1.999 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.21 178.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 82.6 p -86.78 128.49 56.1 Favored Pre-proline 0 C--N 1.391 2.379 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 176.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -75.98 -173.13 1.55 Allowed 'Trans proline' 0 C--N 1.398 3.179 0 CA-C-N 119.803 0.965 . . . . 0.0 113.053 174.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -83.98 78.48 9.74 Favored 'General case' 0 C--N 1.393 2.484 0 N-CA-C 104.421 -2.437 . . . . 0.0 104.421 176.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -82.26 172.51 52.61 Favored Glycine 0 C--N 1.385 3.301 0 C-N-CA 120.876 -0.678 . . . . 0.0 111.531 168.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -107.86 46.25 0.96 Allowed 'General case' 0 CA--C 1.57 1.747 0 N-CA-C 105.057 -2.201 . . . . 0.0 105.057 175.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.3 ptt? -140.81 150.65 60.51 Favored Pre-proline 0 CA--C 1.579 2.082 0 C-N-CA 126.19 1.796 . . . . 0.0 109.712 -174.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -71.48 140.23 36.03 Favored 'Trans proline' 0 C--N 1.398 3.162 0 CA-C-O 122.17 0.821 . . . . 0.0 113.606 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -140.94 162.5 26.72 Favored Glycine 0 C--N 1.391 3.632 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.742 178.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -70.36 174.64 9.74 Favored 'Trans proline' 0 C--N 1.389 2.706 0 C-N-CA 120.829 1.019 . . . . 0.0 114.535 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.435 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -101.62 122.4 43.79 Favored 'General case' 0 CA--C 1.579 2.074 0 N-CA-C 104.789 -2.3 . . . . 0.0 104.789 178.433 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.11 156.37 25.34 Favored 'General case' 0 C--N 1.396 2.587 0 O-C-N 120.693 -1.254 . . . . 0.0 114.349 -169.317 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.3 t -136.67 162.92 31.82 Favored 'General case' 0 C--N 1.383 2.031 0 CA-C-N 114.13 -1.395 . . . . 0.0 111.539 -175.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -133.04 48.04 2.44 Favored 'General case' 0 C--N 1.385 2.128 0 CA-C-O 121.739 0.781 . . . . 0.0 110.053 -178.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.427 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 23.6 t -143.6 153.24 42.33 Favored 'General case' 0 C--N 1.382 1.985 0 C-N-CA 125.227 1.411 . . . . 0.0 107.88 177.308 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.521 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 42.2 t0 -64.8 125.78 25.87 Favored 'General case' 0 CA--C 1.584 2.26 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 -178.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.521 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.288 2.4 mptt 73.71 -60.0 0.54 Allowed 'General case' 0 C--N 1.398 2.693 0 C-N-CA 127.588 2.355 . . . . 0.0 111.88 -178.367 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.427 ' SG ' ' HB3' ' A' ' 54' ' ' SER . 73.3 m 62.15 50.45 3.96 Favored 'General case' 0 C--N 1.38 1.921 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 -171.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 41.2 t30 64.71 83.51 0.17 Allowed 'General case' 0 C--N 1.391 2.405 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.413 ' C ' ' HZ1' ' A' ' 24' ' ' LYS . 44.7 mt . . . . . 0 CA--C 1.6 2.882 0 C-N-CA 125.847 1.659 . . . . 0.0 109.249 177.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.414 ' H3 ' ' CG ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 1 N--CA 1.544 4.239 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.2 mp -83.59 127.47 39.71 Favored 'Isoleucine or valine' 0 C--N 1.398 2.705 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 178.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.1 m -144.17 139.97 29.09 Favored 'General case' 0 C--N 1.387 2.222 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 173.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -82.89 164.58 20.4 Favored 'General case' 0 C--N 1.386 2.178 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -166.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -149.33 49.34 0.96 Allowed 'General case' 0 C--N 1.389 2.308 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 173.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.211 13.0 m170 -89.52 -149.89 0.2 Allowed 'General case' 0 C--N 1.386 2.194 0 C-N-CA 125.659 1.584 . . . . 0.0 109.874 177.267 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.4 mt 64.0 -172.57 0.17 Allowed 'General case' 0 C--N 1.383 2.03 0 CA-C-O 122.212 1.006 . . . . 0.0 112.584 174.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.52 -47.33 3.03 Favored Glycine 0 C--N 1.386 3.336 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -173.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.6 m 178.16 -37.79 0.01 OUTLIER 'General case' 0 C--N 1.385 2.149 0 C-N-CA 126.967 2.107 . . . . 0.0 105.992 -177.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -106.68 122.62 41.25 Favored Pre-proline 0 C--N 1.386 2.153 0 C-N-CA 126.477 1.911 . . . . 0.0 110.507 -174.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -88.55 2.41 6.14 Favored 'Trans proline' 0 C--N 1.407 3.63 0 N-CA-C 120.928 3.395 . . . . 0.0 120.928 176.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -82.4 -23.37 4.24 Favored 'Trans proline' 0 C--N 1.405 3.537 1 N-CA-C 126.492 5.536 . . . . 0.0 126.492 -173.162 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.9 p -84.56 129.49 34.84 Favored 'General case' 0 C--N 1.394 2.526 0 CA-C-N 125.483 3.765 . . . . 0.0 113.166 -176.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 78.0 p -123.37 142.55 50.86 Favored 'General case' 0 C--N 1.379 1.888 0 C-N-CA 127.881 2.472 . . . . 0.0 106.41 171.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -113.62 102.13 9.99 Favored 'General case' 0 C--N 1.381 1.956 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 -170.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 t -69.13 122.08 18.05 Favored 'General case' 0 C--N 1.4 2.766 0 N-CA-C 103.476 -2.787 . . . . 0.0 103.476 169.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.1 t -137.19 148.12 46.34 Favored 'General case' 0 C--N 1.39 2.327 0 CA-C-O 124.592 2.139 . . . . 0.0 112.191 -172.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.5 pm0 -94.74 -6.54 42.87 Favored 'General case' 0 C--N 1.374 1.649 0 CA-C-N 112.053 -2.34 . . . . 0.0 111.091 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -68.67 114.94 7.48 Favored 'General case' 0 C--N 1.393 2.486 0 N-CA-C 103.069 -2.937 . . . . 0.0 103.069 175.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.414 ' CG ' ' H3 ' ' A' ' 1' ' ' ARG 2.183 70.9 m-20 -60.32 1.47 0.12 Allowed 'General case' 0 C--N 1.388 2.242 0 C-N-CA 127.584 2.354 . . . . 0.0 113.667 -177.506 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.9 p -147.57 144.03 28.18 Favored 'General case' 0 C--N 1.382 1.997 0 N-CA-C 106.517 -1.661 . . . . 0.0 106.517 175.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.4 p -136.33 149.84 48.58 Favored 'General case' 0 C--N 1.381 1.96 0 CA-C-O 123.894 1.807 . . . . 0.0 111.12 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -116.62 150.67 37.7 Favored 'General case' 0 C--N 1.378 1.843 0 CA-C-N 112.845 -1.98 . . . . 0.0 114.134 -163.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.599 ' HZ2' ' C ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -116.19 116.26 27.49 Favored 'General case' 0 C--N 1.388 2.264 0 CA-C-O 124.066 1.889 . . . . 0.0 106.798 179.72 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.32 107.92 14.97 Favored 'General case' 0 CA--C 1.584 2.276 0 N-CA-C 101.922 -3.362 . . . . 0.0 101.922 -175.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -109.25 -25.25 3.67 Favored 'Isoleucine or valine' 0 C--N 1.398 2.714 0 N-CA-C 118.531 2.789 . . . . 0.0 118.531 -157.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.605 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -73.54 -102.13 0.01 OUTLIER 'General case' 0 CA--C 1.584 2.286 1 C-N-CA 134.577 5.151 . . . . 0.0 107.675 177.559 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.1 t 77.45 159.27 0.2 Allowed 'General case' 0 C--N 1.392 2.45 0 C-N-CA 125.367 1.467 . . . . 0.0 112.322 177.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -73.59 -35.53 65.42 Favored 'General case' 0 C--N 1.389 2.31 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.578 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.501 ' CG ' HH21 ' A' ' 34' ' ' ARG . 42.0 p-10 -79.17 3.38 17.89 Favored 'General case' 0 CA--C 1.586 2.34 0 C-N-CA 125.367 1.467 . . . . 0.0 112.116 174.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 64.27 69.75 0.52 Allowed 'General case' 0 C--N 1.396 2.612 0 C-N-CA 127.08 2.152 . . . . 0.0 109.323 169.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 tp -168.09 163.53 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.392 2.428 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 -174.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.6 mt -84.35 102.71 10.7 Favored 'Isoleucine or valine' 0 C--N 1.391 2.409 0 N-CA-C 105.191 -2.151 . . . . 0.0 105.191 170.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.501 HH21 ' CG ' ' A' ' 30' ' ' ASP . 1.7 ttp85 -146.0 111.67 5.54 Favored 'General case' 0 C--N 1.383 2.038 0 N-CA-C 102.084 -3.302 . . . . 0.0 102.084 -179.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.6 -167.84 2.26 Favored 'General case' 0 C--N 1.393 2.458 0 CA-C-N 113.663 -1.608 . . . . 0.0 112.571 -155.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 175.22 -165.41 36.41 Favored Glycine 0 C--N 1.391 3.616 0 C-N-CA 114.221 -3.847 . . . . 0.0 118.021 -175.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.8 p -85.55 122.01 29.06 Favored 'General case' 0 C--N 1.386 2.156 0 CA-C-O 122.363 1.078 . . . . 0.0 111.154 -177.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.41 -102.1 0.15 Allowed Glycine 0 C--N 1.397 3.935 0 N-CA-C 106.551 -2.62 . . . . 0.0 106.551 175.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.353 0.5 OUTLIER 77.6 -160.5 0.03 OUTLIER 'General case' 0 C--N 1.39 2.354 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 175.456 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 52.63 51.23 16.48 Favored 'General case' 0 C--N 1.386 2.167 0 N-CA-C 105.249 -2.13 . . . . 0.0 105.249 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 58.3 p -71.24 133.37 85.54 Favored Pre-proline 0 C--N 1.394 2.521 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 -175.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_exo -56.78 119.89 7.42 Favored 'Trans proline' 0 C--N 1.398 3.145 0 N-CA-C 109.376 -1.048 . . . . 0.0 109.376 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 33.6 tpt85 -87.62 64.29 7.99 Favored 'General case' 0 C--N 1.395 2.557 0 N-CA-C 105.783 -1.932 . . . . 0.0 105.783 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -109.38 40.64 2.48 Favored Glycine 0 C--N 1.387 3.41 0 N-CA-C 107.984 -2.046 . . . . 0.0 107.984 169.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.285 2.3 m-20 66.52 45.12 2.16 Favored 'General case' 0 C--N 1.385 2.147 0 C-N-CA 125.768 1.627 . . . . 0.0 108.413 -177.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.6 ttm -125.72 108.66 25.69 Favored Pre-proline 0 CA--C 1.586 2.343 0 N-CA-C 105.008 -2.219 . . . . 0.0 105.008 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -79.29 179.18 6.64 Favored 'Trans proline' 0 C--N 1.399 3.204 0 N-CA-C 116.152 1.559 . . . . 0.0 116.152 -177.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -155.6 179.92 31.19 Favored Glycine 0 C--N 1.39 3.566 0 C-N-CA 119.656 -1.259 . . . . 0.0 114.43 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . 0.25 16.8 Cg_exo -52.51 171.07 0.22 Allowed 'Trans proline' 0 C--N 1.394 2.947 0 C-N-CA 122.602 2.201 . . . . 0.0 112.252 164.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . 0.34 29.9 p90 -81.23 126.76 31.92 Favored 'General case' 0 C--N 1.389 2.322 0 C-N-CA 116.071 -2.252 . . . . 0.0 105.6 176.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 43.1 t -119.26 132.87 55.97 Favored 'General case' 0 C--N 1.389 2.292 0 CA-C-O 122.423 1.106 . . . . 0.0 110.93 -166.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 9.9 t -120.53 161.1 21.87 Favored 'General case' 0 C--N 1.386 2.161 0 C-N-CA 124.494 1.118 . . . . 0.0 112.266 -178.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -129.61 50.97 2.11 Favored 'General case' 0 C--N 1.384 2.107 0 CA-C-O 121.9 0.857 . . . . 0.0 110.484 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.1 t -147.58 -174.36 4.52 Favored 'General case' 0 C--N 1.384 2.079 0 CA-C-O 122.076 0.941 . . . . 0.0 109.904 175.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.506 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 25.5 t0 -72.4 111.11 7.3 Favored 'General case' 0 CA--C 1.59 2.502 0 N-CA-C 107.07 -1.456 . . . . 0.0 107.07 -173.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.506 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.294 10.0 mptt 76.12 -72.52 0.1 Allowed 'General case' 0 C--N 1.4 2.782 0 C-N-CA 125.843 1.657 . . . . 0.0 110.977 176.042 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 43.5 m 66.15 63.0 0.57 Allowed 'General case' 0 C--N 1.38 1.894 0 C-N-CA 125.501 1.52 . . . . 0.0 107.701 -178.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 13.1 t30 62.74 79.53 0.26 Allowed 'General case' 0 C--N 1.389 2.285 0 N-CA-C 105.95 -1.87 . . . . 0.0 105.95 175.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.599 ' C ' ' HZ2' ' A' ' 24' ' ' LYS . 57.9 mt . . . . . 0 CA--C 1.595 2.699 0 C-N-CA 124.958 1.303 . . . . 0.0 108.427 177.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 1 N--CA 1.543 4.185 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.4 mp -107.69 133.61 51.95 Favored 'Isoleucine or valine' 0 C--N 1.387 2.204 0 CA-C-O 122.334 1.064 . . . . 0.0 109.464 -178.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 91.9 m -139.57 168.54 19.59 Favored 'General case' 0 C--N 1.385 2.145 0 CA-C-O 122.391 1.091 . . . . 0.0 109.081 163.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -78.78 145.19 34.49 Favored 'General case' 0 C--N 1.377 1.792 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.145 -177.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -133.3 31.66 3.76 Favored 'General case' 0 C--N 1.386 2.184 0 O-C-N 121.242 -0.911 . . . . 0.0 110.86 174.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.196 1.8 m-70 -78.38 -168.41 1.33 Allowed 'General case' 0 C--N 1.385 2.141 0 C-N-CA 125.048 1.339 . . . . 0.0 114.222 -177.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 54.6 mt 69.86 -179.3 0.23 Allowed 'General case' 0 C--N 1.389 2.301 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 172.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.18 20.41 55.17 Favored Glycine 0 C--N 1.385 3.295 0 CA-C-O 117.186 -1.897 . . . . 0.0 113.816 -174.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.3 m 106.37 -37.54 0.01 OUTLIER 'General case' 0 C--N 1.393 2.462 0 C-N-CA 130.532 3.533 . . . . 0.0 110.115 176.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -84.96 162.17 50.47 Favored Pre-proline 0 C--N 1.383 2.047 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -177.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -71.51 164.72 34.78 Favored 'Trans proline' 0 C--N 1.4 3.284 0 N-CA-C 117.051 1.904 . . . . 0.0 117.051 -168.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.8 OUTLIER -53.32 142.54 56.82 Favored 'Trans proline' 0 C--N 1.395 3.01 0 C-N-CA 123.146 2.564 . . . . 0.0 116.059 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.265 70.6 p -167.08 155.23 9.6 Favored 'General case' 0 C--N 1.39 2.354 0 C-N-CA 125.205 1.402 . . . . 0.0 108.02 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.6 p -132.92 149.27 52.26 Favored 'General case' 0 C--N 1.38 1.912 0 CA-C-O 123.148 1.452 . . . . 0.0 109.035 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -111.84 87.03 2.46 Favored 'General case' 0 C--N 1.378 1.846 0 N-CA-C 105.689 -1.967 . . . . 0.0 105.689 -167.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.6 m -79.78 101.77 8.66 Favored 'General case' 0 C--N 1.392 2.447 0 N-CA-C 103.585 -2.746 . . . . 0.0 103.585 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 39.6 t -125.82 164.64 20.25 Favored 'General case' 0 C--N 1.39 2.334 0 CA-C-O 123.081 1.42 . . . . 0.0 114.732 -165.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -85.58 -23.2 27.72 Favored 'General case' 0 C--N 1.38 1.935 0 CA-C-N 113.555 -1.657 . . . . 0.0 113.321 -176.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -71.86 137.78 47.75 Favored 'General case' 0 C--N 1.388 2.257 0 CA-C-O 123.264 1.507 . . . . 0.0 109.195 -175.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.15 30.3 m-20 -46.4 -50.47 16.59 Favored 'General case' 0 C--N 1.384 2.095 0 C-N-CA 128.983 2.913 . . . . 0.0 111.063 -175.265 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.9 t -116.73 140.22 49.67 Favored 'General case' 0 C--N 1.381 1.946 0 CA-C-O 123.854 1.788 . . . . 0.0 109.986 -172.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.5 p -134.34 147.68 50.6 Favored 'General case' 0 C--N 1.383 2.025 0 CA-C-O 123.503 1.62 . . . . 0.0 109.853 177.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -122.12 165.94 15.31 Favored 'General case' 0 C--N 1.381 1.938 0 N-CA-C 116.661 2.097 . . . . 0.0 116.661 -160.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.463 ' NZ ' ' OXT' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -114.49 116.07 28.26 Favored 'General case' 0 C--N 1.385 2.141 0 CA-C-N 112.83 -1.987 . . . . 0.0 106.675 -178.734 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.487 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 3.8 t30 -118.27 121.92 41.65 Favored 'General case' 0 C--N 1.382 1.991 0 N-CA-C 103.925 -2.62 . . . . 0.0 103.925 -179.26 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -132.51 -27.1 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.403 2.919 0 N-CA-C 117.649 2.463 . . . . 0.0 117.649 -154.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.582 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -69.1 -114.28 0.0 OUTLIER 'General case' 0 CA--C 1.603 2.985 1 C-N-CA 133.21 4.604 . . . . 0.0 108.52 173.399 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.1 t 81.8 154.12 0.11 Allowed 'General case' 0 C--N 1.396 2.62 0 C-N-CA 126.32 1.848 . . . . 0.0 112.613 178.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.5 p90 -69.09 -31.99 71.11 Favored 'General case' 0 C--N 1.397 2.642 0 O-C-N 121.611 -0.681 . . . . 0.0 110.811 176.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -76.93 -4.54 44.43 Favored 'General case' 0 CA--C 1.579 2.069 0 CA-C-O 117.504 -1.236 . . . . 0.0 111.315 173.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.4 t30 58.16 73.68 0.46 Allowed 'General case' 0 C--N 1.397 2.632 0 CA-C-N 121.97 2.168 . . . . 0.0 105.345 176.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.4 tp -158.56 153.67 5.64 Favored 'Isoleucine or valine' 0 C--N 1.389 2.29 0 C-N-CA 118.765 -1.174 . . . . 0.0 111.602 -170.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -89.22 121.72 39.69 Favored 'Isoleucine or valine' 0 C--N 1.39 2.35 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 175.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 7.1 ttp85 -163.36 95.59 0.84 Allowed 'General case' 0 C--N 1.387 2.209 0 N-CA-C 101.453 -3.536 . . . . 0.0 101.453 -173.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.47 ' HG2' HH11 ' A' ' 35' ' ' ARG . 11.9 ptt-85 -138.93 -169.71 2.7 Favored 'General case' 0 C--N 1.378 1.836 0 CA-C-N 111.505 -2.589 . . . . 0.0 112.005 -159.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 165.21 -165.3 37.68 Favored Glycine 0 C--N 1.394 3.751 0 C-N-CA 114.255 -3.831 . . . . 0.0 119.126 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.6 p -81.83 127.05 32.58 Favored 'General case' 0 C--N 1.393 2.488 0 CA-C-O 123.418 1.58 . . . . 0.0 110.982 -178.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.73 -75.62 0.04 OUTLIER Glycine 0 C--N 1.387 3.416 0 N-CA-C 103.963 -3.655 . . . . 0.0 103.963 171.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.478 ' SG ' ' N ' ' A' ' 40' ' ' PHE 2.426 52.6 t 72.0 -173.33 0.16 Allowed 'General case' 0 C--N 1.383 2.026 0 CA-C-N 112.165 -2.018 . . . . 0.0 113.167 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.478 ' N ' ' SG ' ' A' ' 39' ' ' CYS . 4.3 m-85 66.57 38.47 4.09 Favored 'General case' 0 CA--C 1.572 1.8 0 CA-C-N 113.474 -1.694 . . . . 0.0 110.351 170.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.5 t -106.89 111.73 63.64 Favored Pre-proline 0 C--N 1.389 2.319 0 N-CA-C 102.666 -3.087 . . . . 0.0 102.666 171.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.28 130.18 11.8 Favored 'Trans proline' 0 C--N 1.396 3.03 0 C-N-CA 121.907 1.738 . . . . 0.0 108.475 -175.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.44 139.27 4.64 Favored 'General case' 0 C--N 1.394 2.517 0 C-N-CA 117.836 -1.546 . . . . 0.0 112.386 -177.484 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -84.05 -75.11 1.21 Allowed Glycine 0 C--N 1.391 3.601 1 N-CA-C 102.652 -4.179 . . . . 0.0 102.652 167.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.252 1.8 t0 -142.93 63.6 1.38 Allowed 'General case' 0 C--N 1.389 2.292 0 N-CA-C 104.007 -2.59 . . . . 0.0 104.007 164.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.0 ttm -102.28 165.1 14.44 Favored Pre-proline 0 C--N 1.385 2.146 0 C-N-CA 126.767 2.027 . . . . 0.0 109.293 176.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -58.75 152.53 56.06 Favored 'Trans proline' 0 C--N 1.398 3.135 0 CA-C-O 123.485 1.369 . . . . 0.0 113.575 -175.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.6 162.6 18.4 Favored Glycine 0 C--N 1.383 3.157 0 CA-C-N 113.564 -1.653 . . . . 0.0 109.864 -175.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -80.56 159.25 22.22 Favored 'Trans proline' 0 C--N 1.38 2.223 0 CA-C-O 123.078 1.199 . . . . 0.0 113.492 -175.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -82.2 142.82 31.85 Favored 'General case' 0 C--N 1.388 2.28 0 CA-C-N 113.757 -1.565 . . . . 0.0 108.161 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.7 m -127.93 152.6 47.68 Favored 'General case' 0 C--N 1.389 2.316 0 CA-C-O 123.859 1.79 . . . . 0.0 115.54 -172.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 8.7 t -126.03 164.41 20.91 Favored 'General case' 0 C--N 1.377 1.77 0 CA-C-N 112.117 -2.31 . . . . 0.0 108.444 170.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -127.21 34.07 4.79 Favored 'General case' 0 C--N 1.377 1.773 0 O-C-N 121.403 -0.811 . . . . 0.0 110.452 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.2 t -129.41 170.58 13.49 Favored 'General case' 0 C--N 1.378 1.825 0 C-N-CA 124.294 1.038 . . . . 0.0 110.208 178.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.492 ' CG ' ' HZ1' ' A' ' 56' ' ' LYS . 43.3 t0 -76.65 122.05 24.12 Favored 'General case' 0 C--N 1.391 2.377 0 C-N-CA 117.816 -1.554 . . . . 0.0 108.039 -169.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.492 ' HZ1' ' CG ' ' A' ' 55' ' ' ASP . 28.3 mmtm 74.11 -56.37 0.64 Allowed 'General case' 0 C--N 1.391 2.41 0 C-N-CA 126.448 1.899 . . . . 0.0 109.174 178.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 29.9 t 47.53 57.1 6.21 Favored 'General case' 0 C--N 1.382 2.018 0 C-N-CA 128.761 2.824 . . . . 0.0 106.694 176.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 69.6 71.09 0.24 Allowed 'General case' 0 C--N 1.388 2.258 0 C-N-CA 124.869 1.268 . . . . 0.0 109.018 171.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.463 ' OXT' ' NZ ' ' A' ' 24' ' ' LYS . 25.2 mt . . . . . 0 CA--C 1.61 3.282 0 C-N-CA 126.499 1.92 . . . . 0.0 114.9 164.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.532 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.533 3.715 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 36.2 mt -90.05 131.24 37.81 Favored 'Isoleucine or valine' 0 C--N 1.392 2.415 0 CA-C-O 122.646 1.213 . . . . 0.0 108.93 -177.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.7 p -141.7 140.65 33.22 Favored 'General case' 0 C--N 1.381 1.972 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 167.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -75.84 -174.4 2.6 Favored 'General case' 0 C--N 1.394 2.537 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -167.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -155.22 47.15 0.52 Allowed 'General case' 0 C--N 1.387 2.223 0 N-CA-C 105.817 -1.919 . . . . 0.0 105.817 171.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.471 ' HD1' ' N ' ' A' ' 12' ' ' PRO 2.185 24.3 m170 -87.81 -144.61 0.13 Allowed 'General case' 0 C--N 1.388 2.257 0 C-N-CA 126.977 2.111 . . . . 0.0 110.688 178.866 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.29 5.3 mp 63.79 -179.13 0.16 Allowed 'General case' 0 C--N 1.386 2.181 0 CA-C-O 123.137 1.446 . . . . 0.0 111.405 179.127 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.415 ' H ' HG12 ' A' ' 32' ' ' ILE . . . 79.8 -3.96 67.43 Favored Glycine 0 CA--C 1.57 3.489 0 CA-C-O 117.407 -1.774 . . . . 0.0 113.02 -172.438 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.2 m 107.22 -44.88 0.0 OUTLIER 'General case' 0 C--N 1.392 2.421 1 C-N-CA 132.209 4.204 . . . . 0.0 107.919 -176.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.555 ' HZ1' ' CG ' ' A' ' 30' ' ' ASP . 1.8 mptt -60.01 133.03 89.86 Favored Pre-proline 0 CA--C 1.602 2.947 0 C-N-CA 125.04 1.336 . . . . 0.0 108.833 179.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -103.31 -5.06 0.24 Allowed 'Trans proline' 1 C--N 1.415 4.064 0 N-CA-C 122.075 3.836 . . . . 0.0 122.075 -176.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.471 ' N ' ' HD1' ' A' ' 6' ' ' HIS . 94.0 Cg_exo -90.81 -28.55 0.2 Allowed 'Trans proline' 0 C--N 1.408 3.708 1 N-CA-C 127.995 6.114 . . . . 0.0 127.995 -170.608 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.3 p -81.05 139.04 35.95 Favored 'General case' 0 C--N 1.392 2.421 0 CA-C-N 124.543 3.338 . . . . 0.0 115.261 -172.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 52.8 p -129.53 164.77 23.05 Favored 'General case' 0 CA--C 1.577 1.998 0 C-N-CA 128.954 2.902 . . . . 0.0 108.871 170.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -132.94 101.76 5.37 Favored 'General case' 0 C--N 1.388 2.267 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -176.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.3 m -79.38 104.27 9.88 Favored 'General case' 0 C--N 1.395 2.555 0 N-CA-C 102.777 -3.045 . . . . 0.0 102.777 170.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -121.91 148.9 44.16 Favored 'General case' 0 C--N 1.387 2.223 0 CA-C-O 123.034 1.397 . . . . 0.0 111.438 -170.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -105.9 -10.39 16.66 Favored 'General case' 0 C--N 1.374 1.665 0 CA-C-N 113.81 -1.541 . . . . 0.0 110.1 174.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -70.3 105.91 3.16 Favored 'General case' 0 C--N 1.399 2.731 0 N-CA-C 102.038 -3.319 . . . . 0.0 102.038 168.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 1' ' ' ARG 2.154 90.1 m-20 -52.46 0.64 0.01 OUTLIER 'General case' 0 C--N 1.387 2.217 1 C-N-CA 131.722 4.009 . . . . 0.0 117.168 -170.587 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 60.4 p -147.26 147.74 30.72 Favored 'General case' 0 C--N 1.38 1.898 0 CA-C-N 121.696 2.043 . . . . 0.0 107.71 175.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.4 p -140.57 151.76 44.96 Favored 'General case' 0 C--N 1.381 1.972 0 CA-C-O 123.797 1.76 . . . . 0.0 112.334 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -113.92 160.13 19.13 Favored 'General case' 0 C--N 1.379 1.873 0 CA-C-N 112.625 -2.08 . . . . 0.0 114.49 -164.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.429 ' NZ ' ' OXT' ' A' ' 59' ' ' LEU . 28.8 mttt -116.86 107.45 14.63 Favored 'General case' 0 C--N 1.378 1.82 0 N-CA-C 102.954 -2.98 . . . . 0.0 102.954 -177.519 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -115.25 120.79 40.85 Favored 'General case' 0 CA--C 1.577 2.013 0 N-CA-C 102.965 -2.976 . . . . 0.0 102.965 -171.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.415 HD11 ' H ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -120.67 -12.21 9.24 Favored 'Isoleucine or valine' 0 C--N 1.395 2.579 0 N-CA-C 117.741 2.497 . . . . 0.0 117.741 -153.064 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.509 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -101.41 28.24 5.64 Favored 'General case' 0 CA--C 1.566 1.587 1 C-N-CA 135.998 5.719 . . . . 0.0 112.114 -178.018 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.94 178.66 7.28 Favored 'General case' 0 C--N 1.391 2.412 0 CA-C-N 121.69 2.041 . . . . 0.0 112.407 -176.356 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -59.43 -43.9 92.99 Favored 'General case' 0 C--N 1.383 2.047 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.001 -177.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.555 ' CG ' ' HZ1' ' A' ' 10' ' ' LYS . 65.8 m-20 -69.51 0.34 5.43 Favored 'General case' 0 CA--C 1.594 2.644 0 CA-C-O 117.729 -1.129 . . . . 0.0 110.19 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 60.08 74.04 0.46 Allowed 'General case' 0 C--N 1.4 2.763 0 N-CA-C 104.19 -2.522 . . . . 0.0 104.19 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.415 HG12 ' H ' ' A' ' 8' ' ' GLY . 6.6 tp -167.06 166.08 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.399 2.75 0 C-N-CA 115.687 -2.405 . . . . 0.0 115.097 -162.103 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.7 mm -88.11 95.74 5.41 Favored 'Isoleucine or valine' 0 C--N 1.387 2.235 0 N-CA-C 104.282 -2.488 . . . . 0.0 104.282 172.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.8 ttp85 -145.9 127.85 15.48 Favored 'General case' 0 C--N 1.385 2.149 0 N-CA-C 103.974 -2.602 . . . . 0.0 103.974 -177.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.58 -165.79 0.61 Allowed 'General case' 0 C--N 1.399 2.755 0 C-N-CA 116.309 -2.156 . . . . 0.0 114.697 -146.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 169.53 -167.03 40.18 Favored Glycine 0 C--N 1.394 3.782 0 C-N-CA 115.022 -3.466 . . . . 0.0 117.203 -175.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 35.8 m -68.73 123.46 20.98 Favored 'General case' 0 C--N 1.388 2.277 0 CA-C-O 123.317 1.532 . . . . 0.0 111.027 -177.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.2 -111.59 0.26 Allowed Glycine 0 C--N 1.393 3.717 0 N-CA-C 105.185 -3.166 . . . . 0.0 105.185 170.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.405 22.2 t 75.59 -42.09 0.46 Allowed 'General case' 0 C--N 1.391 2.411 0 C-N-CA 124.693 1.197 . . . . 0.0 112.515 173.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -76.88 59.01 1.55 Allowed 'General case' 0 CA--C 1.591 2.529 0 N-CA-C 103.419 -2.808 . . . . 0.0 103.419 172.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 49.5 p -73.87 132.06 80.81 Favored Pre-proline 0 C--N 1.397 2.653 0 C-N-CA 125.066 1.346 . . . . 0.0 109.485 -171.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -75.76 95.53 1.02 Allowed 'Trans proline' 0 C--N 1.399 3.236 0 N-CA-C 105.304 -2.614 . . . . 0.0 105.304 173.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -96.32 105.55 17.63 Favored 'General case' 0 C--N 1.388 2.261 0 CA-C-O 121.707 0.765 . . . . 0.0 109.685 -176.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.06 58.47 4.76 Favored Glycine 0 C--N 1.392 3.681 0 N-CA-C 107.027 -2.429 . . . . 0.0 107.027 168.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.32 0.8 OUTLIER 51.71 53.95 11.81 Favored 'General case' 0 C--N 1.386 2.195 0 N-CA-C 106.166 -1.79 . . . . 0.0 106.166 -174.159 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.2 tpt -145.44 121.37 5.87 Favored Pre-proline 0 CA--C 1.584 2.281 0 N-CA-C 105.906 -1.887 . . . . 0.0 105.906 -176.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -56.91 166.04 4.35 Favored 'Trans proline' 0 C--N 1.4 3.27 0 C-N-CA 124.105 3.204 . . . . 0.0 119.923 -179.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -154.53 -176.53 26.92 Favored Glycine 0 C--N 1.389 3.521 0 CA-C-N 113.496 -1.684 . . . . 0.0 112.089 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -64.98 153.71 76.91 Favored 'Trans proline' 0 C--N 1.39 2.752 0 CA-C-O 122.978 1.158 . . . . 0.0 114.179 178.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -86.08 135.09 33.76 Favored 'General case' 0 C--N 1.382 2.003 0 CA-C-N 113.501 -1.682 . . . . 0.0 107.307 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 28.6 p -126.66 169.78 12.78 Favored 'General case' 0 C--N 1.389 2.318 0 N-CA-C 116.957 2.206 . . . . 0.0 116.957 -173.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.1 t -130.37 157.05 43.65 Favored 'General case' 0 C--N 1.377 1.791 0 CA-C-N 111.532 -2.576 . . . . 0.0 109.676 177.122 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . 0.26 2.5 pt-20 -132.24 59.72 1.71 Allowed 'General case' 0 C--N 1.378 1.833 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 174.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.6 t -149.79 155.13 39.58 Favored 'General case' 0 C--N 1.385 2.143 0 CA-C-N 113.715 -1.584 . . . . 0.0 108.323 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.466 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 31.7 t70 -67.47 119.28 12.02 Favored 'General case' 0 C--N 1.39 2.341 0 CA-C-O 122.286 1.041 . . . . 0.0 109.175 -173.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.466 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 33.3 mmtm 73.28 -56.61 0.65 Allowed 'General case' 0 C--N 1.392 2.443 0 C-N-CA 127.849 2.46 . . . . 0.0 109.272 177.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.3 t 64.16 50.74 2.34 Favored 'General case' 0 C--N 1.382 1.988 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 173.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.306 57.4 m-20 75.22 -3.36 2.62 Favored 'General case' 0 C--N 1.388 2.264 0 C-N-CA 127.281 2.233 . . . . 0.0 113.347 177.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.429 ' OXT' ' NZ ' ' A' ' 24' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.394 2.522 0 N-CA-C 103.314 -2.847 . . . . 0.0 103.314 173.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.428 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.535 3.791 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.6 mm -93.08 121.17 43.55 Favored 'Isoleucine or valine' 0 C--N 1.388 2.281 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 174.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.3 m -127.88 178.72 5.97 Favored 'General case' 0 C--N 1.385 2.141 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 161.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -89.5 153.89 20.45 Favored 'General case' 0 C--N 1.381 1.973 0 O-C-N 121.442 -0.786 . . . . 0.0 111.82 -179.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -151.65 65.53 0.87 Allowed 'General case' 0 C--N 1.384 2.102 0 N-CA-C 102.508 -3.145 . . . . 0.0 102.508 167.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.152 11.2 m170 -105.49 -172.26 2.06 Favored 'General case' 0 C--N 1.382 2.003 0 C-N-CA 129.349 3.059 . . . . 0.0 112.141 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.272 25.5 mt 67.89 -169.39 0.19 Allowed 'General case' 0 C--N 1.375 1.702 0 CA-C-O 123.277 1.513 . . . . 0.0 113.421 173.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.59 47.6 20.67 Favored Glycine 0 C--N 1.382 3.09 0 N-CA-C 107.769 -2.133 . . . . 0.0 107.769 -168.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.416 ' CG2' ' HZ1' ' A' ' 10' ' ' LYS . 33.4 m 87.53 -30.07 0.05 OUTLIER 'General case' 0 C--N 1.394 2.533 0 C-N-CA 130.175 3.39 . . . . 0.0 111.063 -178.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.416 ' HZ1' ' CG2' ' A' ' 9' ' ' THR . 13.2 mptt -113.47 110.24 50.39 Favored Pre-proline 0 CA--C 1.594 2.658 0 C-N-CA 124.501 1.12 . . . . 0.0 108.194 -169.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -90.37 -3.01 5.25 Favored 'Trans proline' 0 CA--C 1.6 3.807 0 N-CA-C 122.493 3.997 . . . . 0.0 122.493 -174.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -82.58 -16.77 7.77 Favored 'Trans proline' 0 C--N 1.403 3.403 1 N-CA-C 130.042 6.901 . . . . 0.0 130.042 -172.114 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.5 p -101.26 157.23 16.94 Favored 'General case' 0 C--N 1.389 2.295 1 CA-C-N 126.405 4.184 . . . . 0.0 116.721 -174.32 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 73.7 p -127.58 146.87 50.38 Favored 'General case' 0 C--N 1.376 1.74 0 CA-C-N 112.935 -1.938 . . . . 0.0 107.947 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -92.45 87.31 5.94 Favored 'General case' 0 C--N 1.375 1.682 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 -175.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.7 t -74.14 121.34 21.02 Favored 'General case' 0 C--N 1.394 2.522 0 N-CA-C 104.215 -2.513 . . . . 0.0 104.215 169.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 12.6 t -153.05 152.64 31.58 Favored 'General case' 0 C--N 1.39 2.36 0 CA-C-O 122.981 1.372 . . . . 0.0 112.801 -165.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -95.34 -5.47 43.33 Favored 'General case' 0 C--N 1.376 1.74 0 CA-C-N 113.132 -1.849 . . . . 0.0 110.951 174.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -74.11 109.35 7.54 Favored 'General case' 0 C--N 1.396 2.6 0 N-CA-C 102.329 -3.212 . . . . 0.0 102.329 178.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.18 69.1 m-20 -60.57 7.13 0.03 OUTLIER 'General case' 0 C--N 1.389 2.317 0 C-N-CA 129.607 3.163 . . . . 0.0 117.764 -165.267 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.8 m -158.06 145.13 17.96 Favored 'General case' 0 C--N 1.377 1.785 0 CA-C-N 121.704 2.047 . . . . 0.0 105.957 178.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.338 26.7 p -139.74 151.19 45.63 Favored 'General case' 0 C--N 1.386 2.162 0 CA-C-O 123.625 1.679 . . . . 0.0 113.688 -173.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -123.26 145.79 48.39 Favored 'General case' 0 C--N 1.387 2.207 0 CA-C-N 112.921 -1.945 . . . . 0.0 113.994 -158.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.568 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 55.3 mttm -92.18 139.98 30.08 Favored 'General case' 0 C--N 1.387 2.211 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 176.181 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -147.36 123.52 10.83 Favored 'General case' 0 C--N 1.379 1.888 0 N-CA-C 104.509 -2.404 . . . . 0.0 104.509 -169.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -132.76 -7.23 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.401 2.818 0 N-CA-C 117.926 2.565 . . . . 0.0 117.926 -150.034 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.401 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -104.81 -94.79 0.34 Allowed 'General case' 0 CA--C 1.576 1.943 1 C-N-CA 134.132 4.973 . . . . 0.0 106.272 -173.31 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.2 t 78.2 -5.66 2.05 Favored 'General case' 0 C--N 1.389 2.288 0 C-N-CA 125.562 1.545 . . . . 0.0 113.058 173.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . 0.278 83.5 m-85 88.91 -38.73 0.02 OUTLIER 'General case' 0 C--N 1.389 2.322 0 CA-C-N 121.987 2.176 . . . . 0.0 111.107 179.541 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.2 p-10 -81.37 -10.29 59.57 Favored 'General case' 0 CA--C 1.576 1.964 0 C-N-CA 124.907 1.283 . . . . 0.0 111.103 172.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 77.79 75.57 0.07 Allowed 'General case' 0 C--N 1.394 2.539 0 C-N-CA 126.818 2.047 . . . . 0.0 107.456 173.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.5 tp -163.69 157.75 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.394 2.529 0 C-N-CA 117.828 -1.549 . . . . 0.0 113.348 -176.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.5 mm -88.44 102.01 12.33 Favored 'Isoleucine or valine' 0 C--N 1.392 2.423 0 N-CA-C 105.473 -2.047 . . . . 0.0 105.473 175.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -151.58 110.92 3.94 Favored 'General case' 0 C--N 1.385 2.111 0 N-CA-C 101.59 -3.485 . . . . 0.0 101.59 -176.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.66 -166.89 2.61 Favored 'General case' 0 C--N 1.381 1.965 0 CA-C-N 111.379 -2.646 . . . . 0.0 111.726 -155.012 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 177.04 -173.94 46.68 Favored Glycine 0 C--N 1.395 3.842 1 C-N-CA 112.999 -4.429 . . . . 0.0 119.229 -175.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.2 p -84.71 122.28 28.86 Favored 'General case' 0 C--N 1.392 2.418 0 CA-C-O 123.376 1.56 . . . . 0.0 108.185 175.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.36 -87.14 0.06 OUTLIER Glycine 0 C--N 1.387 3.394 0 N-CA-C 103.246 -3.942 . . . . 0.0 103.246 175.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.381 42.9 t 79.49 -48.92 0.39 Allowed 'General case' 0 C--N 1.384 2.098 0 CA-C-O 121.779 0.799 . . . . 0.0 110.179 177.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -89.38 71.94 8.07 Favored 'General case' 0 C--N 1.38 1.909 0 N-CA-C 102.57 -3.122 . . . . 0.0 102.57 -175.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.9 t -110.86 126.43 28.76 Favored Pre-proline 0 C--N 1.395 2.545 0 C-N-CA 124.701 1.2 . . . . 0.0 108.251 -177.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -69.19 153.74 71.09 Favored 'Trans proline' 0 C--N 1.39 2.732 0 C-N-CA 120.818 1.012 . . . . 0.0 110.79 171.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.9 ttp85 -95.34 89.38 5.44 Favored 'General case' 0 C--N 1.388 2.257 0 N-CA-C 101.305 -3.591 . . . . 0.0 101.305 175.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -83.82 44.01 3.25 Favored Glycine 0 C--N 1.39 3.573 0 CA-C-O 119.008 -0.884 . . . . 0.0 111.082 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.259 11.3 m-20 54.85 53.7 10.08 Favored 'General case' 0 C--N 1.384 2.089 0 N-CA-C 105.13 -2.174 . . . . 0.0 105.13 -176.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.8 tpt -159.41 122.28 1.96 Allowed Pre-proline 0 C--N 1.388 2.243 0 N-CA-C 102.825 -3.028 . . . . 0.0 102.825 -174.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_exo -61.33 130.89 33.77 Favored 'Trans proline' 0 C--N 1.396 3.031 0 CA-C-N 119.86 0.986 . . . . 0.0 111.305 -176.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.57 170.02 41.81 Favored Glycine 0 C--N 1.39 3.528 0 CA-C-O 122.277 0.932 . . . . 0.0 112.733 178.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -69.52 178.19 4.67 Favored 'Trans proline' 0 C--N 1.383 2.356 0 O-C-N 123.442 1.233 . . . . 0.0 109.797 171.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -123.1 137.3 54.96 Favored 'General case' 0 C--N 1.384 2.106 0 CA-C-O 121.663 0.744 . . . . 0.0 109.977 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 2.7 m -118.74 168.23 10.93 Favored 'General case' 0 C--N 1.398 2.717 0 N-CA-C 119.187 3.032 . . . . 0.0 119.187 -160.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 13.5 t -141.36 154.39 45.63 Favored 'General case' 0 C--N 1.377 1.783 0 CA-C-N 110.271 -3.149 . . . . 0.0 107.715 177.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -119.29 50.27 1.25 Allowed 'General case' 0 C--N 1.376 1.76 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.8 t -137.18 175.32 9.72 Favored 'General case' 0 C--N 1.385 2.117 0 CA-C-N 115.289 -0.869 . . . . 0.0 112.131 -175.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.519 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 33.0 t0 -84.91 119.51 25.44 Favored 'General case' 0 CA--C 1.579 2.071 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 -178.239 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.519 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.306 1.0 OUTLIER 74.54 -67.0 0.27 Allowed 'General case' 0 C--N 1.393 2.498 0 C-N-CA 126.735 2.014 . . . . 0.0 109.101 -177.932 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.275 10.7 t 78.39 27.96 0.49 Allowed 'General case' 0 CA--C 1.582 2.201 0 C-N-CA 126.976 2.11 . . . . 0.0 110.654 178.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.5 m120 58.82 71.85 0.56 Allowed 'General case' 0 C--N 1.392 2.434 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 172.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.568 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 16.8 tp . . . . . 0 CA--C 1.588 2.406 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 177.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.53 3.527 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.0 mp -103.43 117.86 49.56 Favored 'Isoleucine or valine' 0 C--N 1.388 2.266 0 N-CA-C 107.035 -1.468 . . . . 0.0 107.035 -178.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.2 m -138.84 147.49 42.54 Favored 'General case' 0 C--N 1.387 2.203 0 CA-C-O 122.875 1.321 . . . . 0.0 107.774 172.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.417 ' CE1' ' HA ' ' A' ' 59' ' ' LEU . 14.3 m-85 -68.61 149.08 49.57 Favored 'General case' 0 C--N 1.383 2.033 0 CA-C-N 115.315 -0.857 . . . . 0.0 113.272 -164.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -142.05 43.06 1.68 Allowed 'General case' 0 C--N 1.388 2.247 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 177.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.218 8.5 m170 -83.06 -144.07 0.07 Allowed 'General case' 0 C--N 1.386 2.181 0 C-N-CA 125.217 1.407 . . . . 0.0 107.917 174.094 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.319 5.6 mp 66.6 -179.87 0.21 Allowed 'General case' 0 C--N 1.389 2.291 0 O-C-N 120.838 -1.164 . . . . 0.0 113.524 174.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.92 -63.7 3.47 Favored Glycine 0 C--N 1.389 3.478 0 N-CA-C 108.01 -2.036 . . . . 0.0 108.01 -169.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.6 m -165.46 -50.37 0.03 OUTLIER 'General case' 0 C--N 1.379 1.887 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -82.8 133.79 48.31 Favored Pre-proline 0 CA--C 1.591 2.552 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.173 -176.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -102.65 -6.42 0.24 Allowed 'Trans proline' 1 C--N 1.415 4.057 0 N-CA-C 119.442 2.824 . . . . 0.0 119.442 178.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -75.65 -20.72 15.35 Favored 'Trans proline' 0 C--N 1.402 3.388 1 N-CA-C 125.785 5.263 . . . . 0.0 125.785 -173.832 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.7 p -95.06 154.04 17.36 Favored 'General case' 0 C--N 1.393 2.481 0 CA-C-N 124.958 3.526 . . . . 0.0 114.677 -176.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 67.5 p -131.03 143.27 50.58 Favored 'General case' 0 C--N 1.375 1.708 0 CA-C-N 112.76 -2.018 . . . . 0.0 107.62 174.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -88.74 92.84 9.36 Favored 'General case' 0 C--N 1.384 2.098 0 N-CA-C 105.094 -2.188 . . . . 0.0 105.094 -171.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 69.7 m -83.75 101.32 11.5 Favored 'General case' 0 C--N 1.39 2.337 0 N-CA-C 103.421 -2.807 . . . . 0.0 103.421 -178.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.0 t -139.18 161.28 37.79 Favored 'General case' 0 C--N 1.393 2.483 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -165.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.83 -11.32 45.12 Favored 'General case' 0 C--N 1.384 2.069 0 CA-C-N 114.187 -1.37 . . . . 0.0 113.121 -177.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -70.01 123.9 22.71 Favored 'General case' 0 C--N 1.391 2.394 0 N-CA-C 104.465 -2.42 . . . . 0.0 104.465 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.095 15.9 m-20 -46.8 -34.47 5.32 Favored 'General case' 0 C--N 1.385 2.115 0 C-N-CA 128.988 2.915 . . . . 0.0 114.068 -175.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.5 m -121.94 172.22 8.36 Favored 'General case' 0 C--N 1.379 1.891 0 C-N-CA 124.89 1.276 . . . . 0.0 111.944 -175.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.2 p -150.37 159.36 44.52 Favored 'General case' 0 C--N 1.385 2.146 0 C-N-CA 117.627 -1.629 . . . . 0.0 112.951 176.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -124.76 154.8 40.35 Favored 'General case' 0 C--N 1.376 1.741 0 CA-C-N 113.62 -1.627 . . . . 0.0 114.629 -167.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.553 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 64.5 mmtt -108.23 115.11 29.51 Favored 'General case' 0 C--N 1.387 2.196 0 N-CA-C 104.685 -2.339 . . . . 0.0 104.685 176.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -119.21 119.9 35.47 Favored 'General case' 0 CA--C 1.58 2.102 0 N-CA-C 103.852 -2.647 . . . . 0.0 103.852 -175.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.1 9.64 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.402 2.89 0 N-CA-C 117.105 2.261 . . . . 0.0 117.105 -152.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.501 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -104.06 -109.46 0.26 Allowed 'General case' 0 CA--C 1.594 2.663 0 C-N-CA 131.425 3.89 . . . . 0.0 106.515 -172.478 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.5 t 75.51 162.25 0.25 Allowed 'General case' 0 C--N 1.392 2.423 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 173.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -71.19 -46.47 61.21 Favored 'General case' 0 C--N 1.391 2.373 0 CA-C-N 114.746 -1.116 . . . . 0.0 109.471 175.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -63.59 -6.12 4.86 Favored 'General case' 0 CA--C 1.581 2.17 0 CA-C-O 116.334 -1.793 . . . . 0.0 112.019 176.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 65.64 76.03 0.33 Allowed 'General case' 0 C--N 1.401 2.836 0 CA-C-N 123.333 2.788 . . . . 0.0 104.948 174.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 tp -167.52 167.43 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.401 2.829 0 C-N-CA 116.019 -2.272 . . . . 0.0 115.55 -166.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.5 mt -103.74 100.55 10.69 Favored 'Isoleucine or valine' 0 C--N 1.392 2.433 0 N-CA-C 105.945 -1.872 . . . . 0.0 105.945 173.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.8 ttp85 -140.75 117.32 10.86 Favored 'General case' 0 C--N 1.382 1.99 0 N-CA-C 103.083 -2.932 . . . . 0.0 103.083 -177.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.87 -169.43 2.83 Favored 'General case' 0 C--N 1.389 2.31 0 CA-C-N 113.718 -1.583 . . . . 0.0 112.72 -156.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 169.57 -166.91 40.08 Favored Glycine 0 C--N 1.394 3.758 1 C-N-CA 113.348 -4.263 . . . . 0.0 118.888 -172.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.1 p -70.22 124.12 23.35 Favored 'General case' 0 C--N 1.392 2.421 0 CA-C-O 122.892 1.33 . . . . 0.0 110.985 -177.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.41 -94.0 0.09 OUTLIER Glycine 0 C--N 1.392 3.673 0 N-CA-C 106.006 -2.838 . . . . 0.0 106.006 171.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.421 ' O ' ' SG ' ' A' ' 39' ' ' CYS 2.382 34.4 t 85.02 -47.52 0.08 Allowed 'General case' 0 C--N 1.383 2.038 0 C-N-CA 125.563 1.545 . . . . 0.0 111.188 179.289 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -82.78 86.78 6.84 Favored 'General case' 0 CA--C 1.574 1.887 0 N-CA-C 101.036 -3.69 . . . . 0.0 101.036 -175.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.7 t -120.35 90.7 45.53 Favored Pre-proline 0 C--N 1.394 2.531 0 N-CA-C 105.851 -1.907 . . . . 0.0 105.851 -169.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -92.47 100.44 0.18 Allowed 'Trans proline' 0 C--N 1.395 3.024 0 N-CA-C 106.279 -2.239 . . . . 0.0 106.279 -172.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -168.75 120.54 0.78 Allowed 'General case' 0 C--N 1.394 2.532 0 C-N-CA 117.903 -1.519 . . . . 0.0 109.156 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -98.76 -27.89 8.17 Favored Glycine 0 C--N 1.394 3.804 0 CA-C-O 116.916 -2.047 . . . . 0.0 114.053 177.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -93.28 29.85 1.82 Allowed 'General case' 0 C--N 1.39 2.356 0 CA-C-N 121.517 2.658 . . . . 0.0 111.628 179.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 27.4 ttp -174.48 92.61 0.31 Allowed Pre-proline 0 C--N 1.38 1.893 1 N-CA-C 99.795 -4.15 . . . . 0.0 99.795 168.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -53.89 127.88 27.4 Favored 'Trans proline' 0 C--N 1.394 2.945 0 N-CA-C 108.337 -1.447 . . . . 0.0 108.337 174.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -75.78 -179.92 46.04 Favored Glycine 0 C--N 1.389 3.521 0 C-N-CA 119.99 -1.1 . . . . 0.0 115.062 -178.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -56.27 168.12 2.21 Favored 'Trans proline' 0 C--N 1.387 2.585 0 C-N-CA 121.677 1.585 . . . . 0.0 114.938 175.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -96.23 154.68 17.12 Favored 'General case' 0 C--N 1.382 1.982 0 CA-C-N 113.652 -1.613 . . . . 0.0 107.323 173.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 15.2 m -138.49 157.69 45.7 Favored 'General case' 0 C--N 1.392 2.426 0 N-CA-C 117.939 2.57 . . . . 0.0 117.939 -165.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 23.9 t -119.32 169.1 10.29 Favored 'General case' 0 C--N 1.374 1.641 0 CA-C-N 109.947 -3.297 . . . . 0.0 109.559 172.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -143.76 37.75 1.32 Allowed 'General case' 0 C--N 1.381 1.94 0 C-N-CA 118.305 -1.358 . . . . 0.0 112.0 -178.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.9 p -135.88 174.6 10.43 Favored 'General case' 0 C--N 1.379 1.865 0 C-N-CA 124.036 0.934 . . . . 0.0 111.261 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.462 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 24.6 t0 -68.57 130.56 43.21 Favored 'General case' 0 CA--C 1.585 2.307 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 171.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.462 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 39.9 mmtm 74.04 -83.75 0.03 OUTLIER 'General case' 0 C--N 1.39 2.348 0 C-N-CA 126.326 1.85 . . . . 0.0 112.224 171.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 32.1 p 51.58 68.08 0.86 Allowed 'General case' 0 C--N 1.383 2.038 0 C-N-CA 128.771 2.828 . . . . 0.0 109.395 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 66.47 53.93 0.93 Allowed 'General case' 0 C--N 1.386 2.166 0 O-C-N 121.844 -0.535 . . . . 0.0 110.363 168.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.553 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 6.6 tp . . . . . 0 CA--C 1.585 2.301 0 CA-C-O 116.921 -1.514 . . . . 0.0 108.608 164.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.485 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.53 3.525 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -84.79 121.93 37.47 Favored 'Isoleucine or valine' 0 C--N 1.387 2.202 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 -179.364 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.6 m -127.11 161.7 27.83 Favored 'General case' 0 C--N 1.391 2.375 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 162.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -75.97 165.09 25.48 Favored 'General case' 0 C--N 1.381 1.957 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 -169.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 49.8 p-10 -142.93 22.85 1.92 Allowed 'General case' 0 C--N 1.392 2.422 0 C-N-CA 119.381 -0.927 . . . . 0.0 110.468 168.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.215 85.2 m-70 -63.93 179.45 0.52 Allowed 'General case' 0 C--N 1.391 2.389 0 C-N-CA 126.227 1.811 . . . . 0.0 114.218 -176.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.311 62.7 mt 75.73 -172.23 0.1 Allowed 'General case' 0 C--N 1.381 1.956 0 C-N-CA 125.381 1.473 . . . . 0.0 114.029 176.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.72 -113.24 3.96 Favored Glycine 0 C--N 1.383 3.186 0 N-CA-C 105.62 -2.992 . . . . 0.0 105.62 -165.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.8 m -82.14 -44.11 16.89 Favored 'General case' 0 C--N 1.382 2.006 0 O-C-N 121.722 -0.869 . . . . 0.0 110.674 -179.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.5 tttm -98.38 140.93 22.17 Favored Pre-proline 0 C--N 1.389 2.284 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -169.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -63.88 168.76 11.43 Favored 'Trans proline' 0 C--N 1.402 3.363 0 C-N-CA 121.627 1.552 . . . . 0.0 113.966 166.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -32.13 132.39 0.08 OUTLIER 'Trans proline' 0 C--N 1.391 2.774 1 C-N-CA 125.65 4.234 . . . . 0.0 115.701 -176.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 174.2 157.31 0.14 Allowed 'General case' 0 CA--C 1.587 2.39 0 C-N-CA 129.28 3.032 . . . . 0.0 105.481 -179.048 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 53.3 p -137.85 169.26 18.09 Favored 'General case' 0 C--N 1.39 2.333 0 N-CA-C 115.477 1.658 . . . . 0.0 115.477 -159.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -111.3 105.49 14.16 Favored 'General case' 0 C--N 1.384 2.108 0 CA-C-O 122.638 1.208 . . . . 0.0 107.954 -173.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.6 m -79.37 121.33 25.01 Favored 'General case' 0 C--N 1.39 2.351 0 N-CA-C 105.446 -2.057 . . . . 0.0 105.446 176.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.3 t -147.38 148.25 31.13 Favored 'General case' 0 C--N 1.393 2.495 0 CA-C-O 123.49 1.614 . . . . 0.0 112.199 -173.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . 0.258 3.0 mp0 -98.14 -2.8 39.15 Favored 'General case' 0 CA--C 1.571 1.77 0 CA-C-N 113.201 -1.818 . . . . 0.0 111.161 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -66.13 119.04 10.73 Favored 'General case' 0 C--N 1.404 2.952 0 N-CA-C 102.644 -3.095 . . . . 0.0 102.644 163.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.109 50.8 m-20 -65.91 4.86 0.56 Allowed 'General case' 0 C--N 1.388 2.257 0 C-N-CA 129.643 3.177 . . . . 0.0 115.835 -172.379 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.2 t -146.68 129.81 16.5 Favored 'General case' 0 C--N 1.375 1.714 0 N-CA-C 103.554 -2.758 . . . . 0.0 103.554 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.5 p -140.25 147.55 40.16 Favored 'General case' 0 C--N 1.38 1.917 0 CA-C-O 123.736 1.731 . . . . 0.0 110.449 -178.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -130.77 166.67 20.29 Favored 'General case' 0 C--N 1.383 2.037 0 N-CA-C 116.715 2.117 . . . . 0.0 116.715 -158.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.46 125.81 51.47 Favored 'General case' 0 C--N 1.38 1.898 0 CA-C-N 110.522 -3.035 . . . . 0.0 106.766 179.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.464 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 3.7 t30 -133.39 124.09 26.52 Favored 'General case' 0 C--N 1.382 1.98 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 -169.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.85 -5.71 2.3 Favored 'Isoleucine or valine' 0 C--N 1.401 2.824 0 N-CA-C 118.1 2.63 . . . . 0.0 118.1 -152.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.483 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -96.66 -88.62 0.28 Allowed 'General case' 0 CA--C 1.577 1.995 1 C-N-CA 136.349 5.859 . . . . 0.0 106.746 179.015 . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.5 t 86.59 -66.61 0.03 OUTLIER 'General case' 0 C--N 1.39 2.359 0 C-N-CA 127.444 2.298 . . . . 0.0 107.598 177.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 57.9 t80 160.34 -46.4 0.0 OUTLIER 'General case' 0 C--N 1.383 2.051 0 C-N-CA 127.564 2.346 . . . . 0.0 104.818 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -71.28 -16.06 62.45 Favored 'General case' 0 C--N 1.385 2.11 0 C-N-CA 126.229 1.812 . . . . 0.0 113.261 174.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 79.89 83.2 0.05 Allowed 'General case' 0 C--N 1.39 2.353 0 C-N-CA 126.779 2.032 . . . . 0.0 106.94 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.2 tp -171.77 164.11 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.39 2.366 0 C-N-CA 119.476 -0.89 . . . . 0.0 111.066 -175.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.5 mp -98.09 95.75 4.67 Favored 'Isoleucine or valine' 0 C--N 1.39 2.354 0 N-CA-C 106.657 -1.608 . . . . 0.0 106.657 -179.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.57 114.37 9.39 Favored 'General case' 0 C--N 1.383 2.054 0 N-CA-C 103.024 -2.954 . . . . 0.0 103.024 -176.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 ptt-85 -145.9 -168.98 3.13 Favored 'General case' 0 C--N 1.385 2.123 0 CA-C-N 112.886 -1.961 . . . . 0.0 114.116 -155.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 173.81 -166.21 38.32 Favored Glycine 0 C--N 1.394 3.772 0 C-N-CA 115.027 -3.463 . . . . 0.0 117.208 -174.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.4 p -92.87 129.89 38.64 Favored 'General case' 0 C--N 1.39 2.332 0 CA-C-O 123.716 1.722 . . . . 0.0 112.006 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.92 -76.86 0.04 OUTLIER Glycine 0 C--N 1.389 3.483 0 N-CA-C 103.515 -3.834 . . . . 0.0 103.515 171.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.372 46.5 t 70.49 -157.62 0.14 Allowed 'General case' 0 C--N 1.388 2.244 0 CA-C-O 122.405 1.098 . . . . 0.0 113.2 175.227 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 57.07 58.43 3.98 Favored 'General case' 0 C--N 1.384 2.098 0 CA-C-N 113.95 -1.477 . . . . 0.0 107.399 172.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.8 t -124.81 106.86 28.99 Favored Pre-proline 0 C--N 1.396 2.602 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -175.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -88.3 102.9 0.45 Allowed 'Trans proline' 0 C--N 1.399 3.194 0 N-CA-C 105.088 -2.697 . . . . 0.0 105.088 177.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.74 157.49 42.01 Favored 'General case' 0 C--N 1.387 2.208 0 O-C-N 121.142 -0.974 . . . . 0.0 112.408 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -104.07 -78.49 1.25 Allowed Glycine 0 C--N 1.39 3.555 0 N-CA-C 104.952 -3.259 . . . . 0.0 104.952 175.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.297 21.3 t70 -140.78 63.6 1.45 Allowed 'General case' 0 C--N 1.388 2.246 0 N-CA-C 105.166 -2.161 . . . . 0.0 105.166 165.372 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.8 ttt -114.55 123.65 31.91 Favored Pre-proline 0 C--N 1.386 2.19 0 N-CA-C 104.614 -2.365 . . . . 0.0 104.614 169.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -32.68 114.64 0.07 OUTLIER 'Trans proline' 0 C--N 1.394 2.963 0 C-N-CA 124.94 3.76 . . . . 0.0 112.474 178.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -164.95 141.86 7.35 Favored Glycine 0 C--N 1.387 3.416 0 N-CA-C 106.704 -2.558 . . . . 0.0 106.704 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -66.76 165.86 24.31 Favored 'Trans proline' 0 C--N 1.383 2.361 0 CA-C-O 122.553 0.98 . . . . 0.0 110.856 177.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 39.2 p90 -101.56 137.93 39.23 Favored 'General case' 0 C--N 1.384 2.094 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 178.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 2.8 m -128.85 164.47 23.01 Favored 'General case' 0 C--N 1.395 2.558 0 N-CA-C 117.542 2.423 . . . . 0.0 117.542 -163.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.9 t -131.37 162.67 29.59 Favored 'General case' 0 C--N 1.378 1.815 0 CA-C-N 111.773 -2.467 . . . . 0.0 109.905 173.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -125.89 38.02 4.23 Favored 'General case' 0 C--N 1.38 1.912 0 CA-C-O 122.041 0.924 . . . . 0.0 108.886 171.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.446 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 0.4 OUTLIER -130.79 -172.98 2.95 Favored 'General case' 0 C--N 1.385 2.143 0 C-N-CA 125.644 1.578 . . . . 0.0 111.202 -178.333 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.468 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 37.1 t70 -84.18 106.34 15.73 Favored 'General case' 0 CA--C 1.576 1.981 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 -176.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.468 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.272 11.5 mptt 73.19 -60.34 0.54 Allowed 'General case' 0 C--N 1.396 2.63 0 C-N-CA 126.154 1.782 . . . . 0.0 111.556 176.356 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.446 ' SG ' ' HB3' ' A' ' 54' ' ' SER 0.262 3.4 m 60.74 65.14 1.06 Allowed 'General case' 0 C--N 1.374 1.654 0 C-N-CA 127.301 2.241 . . . . 0.0 105.352 -175.909 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.3 m120 84.24 -66.34 0.06 Allowed 'General case' 0 C--N 1.387 2.231 0 C-N-CA 127.948 2.499 . . . . 0.0 111.371 170.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.7 mt . . . . . 0 CA--C 1.628 3.962 0 CA-C-O 115.93 -1.986 . . . . 0.0 109.077 -177.522 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.49 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.533 3.706 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.8 mp -97.99 129.12 48.67 Favored 'Isoleucine or valine' 0 C--N 1.387 2.221 0 CA-C-O 121.891 0.853 . . . . 0.0 111.667 -169.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -139.97 152.31 46.21 Favored 'General case' 0 C--N 1.391 2.398 0 O-C-N 121.231 -0.918 . . . . 0.0 108.702 170.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -104.89 153.72 21.0 Favored 'General case' 0 C--N 1.392 2.428 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -165.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -115.98 22.98 12.57 Favored 'General case' 0 C--N 1.386 2.19 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 175.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.182 20.5 m170 -72.25 -173.84 1.17 Allowed 'General case' 0 C--N 1.39 2.341 0 C-N-CA 127.486 2.315 . . . . 0.0 114.584 -176.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.25 49.5 mt 76.31 -169.93 0.08 Allowed 'General case' 0 C--N 1.386 2.153 0 C-N-CA 125.819 1.648 . . . . 0.0 113.862 176.052 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.35 -54.37 3.52 Favored Glycine 0 C--N 1.385 3.3 0 N-CA-C 110.028 -1.229 . . . . 0.0 110.028 -173.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.4 m -164.36 -41.5 0.03 OUTLIER 'General case' 0 C--N 1.377 1.794 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 -174.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -106.47 126.82 29.5 Favored Pre-proline 0 CA--C 1.581 2.149 0 C-N-CA 123.906 0.883 . . . . 0.0 110.791 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -87.03 -15.45 3.73 Favored 'Trans proline' 0 C--N 1.408 3.668 1 N-CA-C 123.897 4.537 . . . . 0.0 123.897 177.213 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -85.19 -23.53 2.35 Favored 'Trans proline' 0 C--N 1.394 2.966 1 N-CA-C 128.977 6.491 . . . . 0.0 128.977 -168.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.3 p -82.13 140.89 33.53 Favored 'General case' 0 C--N 1.391 2.391 0 CA-C-N 124.652 3.387 . . . . 0.0 114.067 -171.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 55.5 p -134.06 159.74 39.89 Favored 'General case' 0 C--N 1.383 2.027 0 CA-C-N 113.154 -1.839 . . . . 0.0 111.433 -175.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -124.6 100.87 6.85 Favored 'General case' 0 C--N 1.384 2.097 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 -169.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 54.1 m -81.64 109.39 16.03 Favored 'General case' 0 C--N 1.389 2.305 0 N-CA-C 102.219 -3.252 . . . . 0.0 102.219 175.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.8 t -120.03 156.34 31.1 Favored 'General case' 0 C--N 1.393 2.458 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -161.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.91 2.19 43.49 Favored 'General case' 0 C--N 1.384 2.104 0 C-N-CA 124.897 1.279 . . . . 0.0 111.272 172.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.464 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 26.5 mm-40 -94.06 108.69 20.5 Favored 'General case' 0 C--N 1.392 2.456 0 N-CA-C 103.659 -2.719 . . . . 0.0 103.659 175.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.147 83.1 m-20 -52.43 -20.28 2.74 Favored 'General case' 0 CA--C 1.58 2.1 0 C-N-CA 129.239 3.016 . . . . 0.0 116.848 -171.71 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.4 t -130.76 154.04 48.4 Favored 'General case' 0 C--N 1.378 1.835 0 C-N-CA 125.057 1.343 . . . . 0.0 109.83 -177.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.4 p -145.57 154.3 42.02 Favored 'General case' 0 C--N 1.386 2.178 0 C-N-CA 118.331 -1.348 . . . . 0.0 113.158 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -117.62 139.4 51.04 Favored 'General case' 0 C--N 1.384 2.067 0 CA-C-N 113.925 -1.489 . . . . 0.0 112.317 -167.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -91.25 119.59 31.45 Favored 'General case' 0 CA--C 1.58 2.124 0 N-CA-C 105.619 -1.993 . . . . 0.0 105.619 176.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.445 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 1.4 t30 -113.27 115.3 27.97 Favored 'General case' 0 CA--C 1.582 2.202 0 N-CA-C 100.954 -3.721 . . . . 0.0 100.954 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -121.28 -13.57 7.99 Favored 'Isoleucine or valine' 0 C--N 1.398 2.705 0 N-CA-C 117.748 2.499 . . . . 0.0 117.748 -153.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.564 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -86.76 -99.58 0.07 Allowed 'General case' 0 CA--C 1.59 2.49 1 C-N-CA 135.954 5.702 . . . . 0.0 105.799 178.758 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.301 12.3 t 87.69 -76.38 0.01 OUTLIER 'General case' 0 C--N 1.392 2.414 0 C-N-CA 126.443 1.897 . . . . 0.0 107.375 173.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.6 p90 179.84 -47.17 0.01 OUTLIER 'General case' 0 C--N 1.388 2.252 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 179.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.8 p30 -69.93 -35.32 74.45 Favored 'General case' 0 C--N 1.378 1.823 0 C-N-CA 129.314 3.046 . . . . 0.0 111.468 176.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 96.29 79.33 0.0 OUTLIER 'General case' 0 C--N 1.386 2.194 0 C-N-CA 129.939 3.296 . . . . 0.0 104.592 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.3 tp -157.76 156.58 4.08 Favored 'Isoleucine or valine' 0 C--N 1.394 2.521 0 C-N-CA 118.393 -1.323 . . . . 0.0 114.037 -174.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 85.3 mt -91.11 90.79 3.38 Favored 'Isoleucine or valine' 0 C--N 1.392 2.44 0 N-CA-C 104.916 -2.253 . . . . 0.0 104.916 177.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -135.93 101.47 4.75 Favored 'General case' 0 C--N 1.382 1.989 0 N-CA-C 101.817 -3.401 . . . . 0.0 101.817 -176.275 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.55 -173.69 4.03 Favored 'General case' 0 C--N 1.394 2.54 0 N-CA-C 116.18 1.919 . . . . 0.0 116.18 -151.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -132.85 157.23 22.52 Favored Glycine 0 C--N 1.395 3.841 0 N-CA-C 118.634 2.214 . . . . 0.0 118.634 -169.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.464 ' SG ' ' HB2' ' A' ' 19' ' ' GLU . 34.9 t -85.62 108.26 17.9 Favored 'General case' 0 C--N 1.383 2.051 0 N-CA-C 104.063 -2.569 . . . . 0.0 104.063 172.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -165.89 -86.78 0.06 OUTLIER Glycine 0 C--N 1.397 3.967 0 N-CA-C 106.396 -2.682 . . . . 0.0 106.396 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 40' ' ' PHE 2.39 42.0 t 72.97 -161.54 0.1 Allowed 'General case' 0 C--N 1.388 2.256 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 175.781 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.405 ' N ' ' SG ' ' A' ' 39' ' ' CYS . 4.1 m-85 62.33 57.56 1.92 Allowed 'General case' 0 C--N 1.383 2.037 0 CA-C-N 113.787 -1.551 . . . . 0.0 108.254 174.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.9 t -136.97 84.66 24.77 Favored Pre-proline 0 C--N 1.388 2.243 0 N-CA-C 104.175 -2.528 . . . . 0.0 104.175 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -92.16 69.79 0.8 Allowed 'Trans proline' 0 C--N 1.401 3.322 0 N-CA-C 106.221 -2.261 . . . . 0.0 106.221 -175.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . 0.31 15.2 tpt85 65.47 66.07 0.54 Allowed 'General case' 0 C--N 1.382 2.0 0 C-N-CA 126.432 1.893 . . . . 0.0 107.307 -178.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.48 177.96 50.27 Favored Glycine 0 C--N 1.39 3.554 0 CA-C-N 115.089 -0.959 . . . . 0.0 111.732 166.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -100.71 42.23 1.13 Allowed 'General case' 0 CA--C 1.572 1.807 0 CA-C-O 122.492 1.139 . . . . 0.0 108.298 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.1 tpt -137.06 136.42 20.99 Favored Pre-proline 0 CA--C 1.587 2.396 0 C-N-CA 125.911 1.685 . . . . 0.0 106.737 173.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -65.24 111.85 1.92 Allowed 'Trans proline' 0 C--N 1.397 3.131 0 C-N-CA 121.383 1.389 . . . . 0.0 110.704 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -133.17 55.4 0.75 Allowed Glycine 0 C--N 1.397 3.937 0 CA-C-O 114.818 -3.212 . . . . 0.0 114.298 -178.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 0.0 OUTLIER 46.52 -157.58 0.0 OUTLIER 'Trans proline' 1 C--N 1.421 4.377 0 CA-C-N 122.112 2.956 . . . . 0.0 118.4 166.907 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.25 136.82 53.91 Favored 'General case' 0 CA--C 1.583 2.223 0 N-CA-C 105.936 -1.876 . . . . 0.0 105.936 176.008 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.6 m -121.98 164.67 17.23 Favored 'General case' 0 C--N 1.395 2.573 0 N-CA-C 117.769 2.507 . . . . 0.0 117.769 -170.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.9 t -135.92 160.89 37.21 Favored 'General case' 0 C--N 1.383 2.059 0 CA-C-N 112.854 -1.975 . . . . 0.0 109.999 174.527 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . 0.255 9.0 pt-20 -136.24 53.19 1.94 Allowed 'General case' 0 C--N 1.386 2.162 0 O-C-N 121.3 -0.875 . . . . 0.0 110.101 176.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.8 t -157.46 88.81 1.01 Allowed 'General case' 0 C--N 1.39 2.345 0 N-CA-C 105.866 -1.901 . . . . 0.0 105.866 177.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.1 t0 60.38 -157.23 0.34 Allowed 'General case' 0 C--N 1.391 2.376 0 CA-C-O 123.504 1.621 . . . . 0.0 109.207 176.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -25.55 66.04 Favored 'General case' 0 C--N 1.384 2.103 0 CA-C-N 114.492 -1.231 . . . . 0.0 111.04 178.358 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 27.2 t 66.58 44.97 2.15 Favored 'General case' 0 C--N 1.389 2.301 0 CA-C-N 120.3 1.409 . . . . 0.0 107.795 172.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.9 t30 64.57 100.22 0.04 OUTLIER 'General case' 0 C--N 1.394 2.516 0 C-N-CA 127.149 2.179 . . . . 0.0 107.825 177.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.6 tp . . . . . 0 C--N 1.39 2.346 0 N-CA-C 104.958 -2.238 . . . . 0.0 104.958 -179.149 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.474 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.535 3.816 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 65.8 mt -82.39 126.57 40.0 Favored 'Isoleucine or valine' 0 C--N 1.395 2.553 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 -178.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -151.81 138.9 19.15 Favored 'General case' 0 C--N 1.393 2.466 0 N-CA-C 107.081 -1.452 . . . . 0.0 107.081 176.581 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -94.69 152.11 18.74 Favored 'General case' 0 C--N 1.4 2.771 0 N-CA-C 115.97 1.841 . . . . 0.0 115.97 -160.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -128.27 57.21 1.58 Allowed 'General case' 0 C--N 1.386 2.165 0 N-CA-C 103.859 -2.645 . . . . 0.0 103.859 175.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.193 13.3 m170 -98.53 -165.3 1.23 Allowed 'General case' 0 C--N 1.385 2.113 0 C-N-CA 128.382 2.673 . . . . 0.0 111.165 175.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.403 ' H ' ' HA ' ' A' ' 11' ' ' PRO 0.361 4.5 mp 76.57 -179.14 0.14 Allowed 'General case' 0 C--N 1.385 2.126 0 N-CA-C 116.027 1.862 . . . . 0.0 116.027 170.354 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.82 -50.22 3.43 Favored Glycine 0 C--N 1.39 3.546 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.094 -171.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 88.2 m -166.9 -38.09 0.02 OUTLIER 'General case' 0 C--N 1.382 1.983 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 -175.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -113.5 112.19 48.88 Favored Pre-proline 0 C--N 1.389 2.287 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -178.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.403 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 36.9 Cg_exo -86.93 -3.26 8.11 Favored 'Trans proline' 0 CA--C 1.593 3.465 0 N-CA-C 120.165 3.102 . . . . 0.0 120.165 179.252 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -76.5 -21.85 12.8 Favored 'Trans proline' 0 C--N 1.398 3.157 1 N-CA-C 126.227 5.434 . . . . 0.0 126.227 -172.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.4 p -92.56 142.2 27.65 Favored 'General case' 0 C--N 1.394 2.511 0 CA-C-N 125.152 3.615 . . . . 0.0 115.177 -173.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 59.1 p -128.42 144.07 51.08 Favored 'General case' 0 C--N 1.379 1.867 0 CA-C-N 112.006 -2.361 . . . . 0.0 108.842 -177.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -112.45 99.68 8.18 Favored 'General case' 0 C--N 1.384 2.08 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 -167.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.4 m -75.63 100.17 4.54 Favored 'General case' 0 C--N 1.391 2.403 0 N-CA-C 101.965 -3.346 . . . . 0.0 101.965 171.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 38.2 t -115.38 154.13 29.77 Favored 'General case' 0 C--N 1.384 2.065 0 CA-C-O 123.524 1.63 . . . . 0.0 110.421 -172.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -99.27 -12.25 20.54 Favored 'General case' 0 C--N 1.374 1.632 0 CA-C-N 112.677 -2.056 . . . . 0.0 111.564 -171.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -70.5 113.08 7.27 Favored 'General case' 0 C--N 1.395 2.545 0 N-CA-C 102.612 -3.107 . . . . 0.0 102.612 171.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.2 68.6 m-20 -59.09 8.45 0.01 OUTLIER 'General case' 0 C--N 1.389 2.301 0 C-N-CA 130.44 3.496 . . . . 0.0 117.071 -169.524 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.4 p -153.46 149.68 28.0 Favored 'General case' 0 C--N 1.377 1.797 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 171.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.1 p -142.03 163.81 31.88 Favored 'General case' 0 C--N 1.38 1.915 0 C-N-CA 118.009 -1.476 . . . . 0.0 113.313 -175.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 44.1 p90 -130.43 149.93 51.88 Favored 'General case' 0 C--N 1.381 1.957 0 CA-C-O 123.331 1.539 . . . . 0.0 114.986 -162.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt -107.61 113.15 26.25 Favored 'General case' 0 C--N 1.384 2.087 0 N-CA-C 105.367 -2.086 . . . . 0.0 105.367 -178.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -115.86 128.95 56.2 Favored 'General case' 0 CA--C 1.586 2.364 0 C-N-CA 128.336 2.654 . . . . 0.0 105.552 -173.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -138.64 15.58 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.404 2.975 0 N-CA-C 116.832 2.16 . . . . 0.0 116.832 -151.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.55 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -120.21 -92.64 0.53 Allowed 'General case' 0 CA--C 1.581 2.142 0 C-N-CA 131.279 3.832 . . . . 0.0 105.523 -171.258 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.288 15.2 t 79.43 -90.62 0.02 OUTLIER 'General case' 0 C--N 1.387 2.235 0 C-N-CA 126.639 1.976 . . . . 0.0 108.795 174.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -172.32 -55.2 0.02 OUTLIER 'General case' 0 C--N 1.389 2.287 0 N-CA-C 105.843 -1.91 . . . . 0.0 105.843 -176.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -65.59 -7.65 16.02 Favored 'General case' 0 CA--C 1.579 2.074 0 C-N-CA 130.207 3.403 . . . . 0.0 113.209 175.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 t30 72.96 74.05 0.14 Allowed 'General case' 0 C--N 1.392 2.456 0 C-N-CA 127.285 2.234 . . . . 0.0 105.805 177.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 tp -157.35 160.31 2.2 Favored 'Isoleucine or valine' 0 C--N 1.395 2.574 0 C-N-CA 117.653 -1.619 . . . . 0.0 114.398 -169.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 93.2 mt -96.34 101.27 12.14 Favored 'Isoleucine or valine' 0 C--N 1.393 2.462 0 N-CA-C 104.746 -2.316 . . . . 0.0 104.746 174.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.45 116.54 10.49 Favored 'General case' 0 C--N 1.383 2.025 0 N-CA-C 102.076 -3.305 . . . . 0.0 102.076 -178.368 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.49 -170.9 3.72 Favored 'General case' 0 C--N 1.393 2.465 0 C-N-CA 118.193 -1.403 . . . . 0.0 114.733 -156.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -167.83 -162.94 20.85 Favored Glycine 0 C--N 1.394 3.765 0 C-N-CA 114.8 -3.571 . . . . 0.0 117.227 -173.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.3 p -110.29 126.12 53.86 Favored 'General case' 0 C--N 1.387 2.199 0 CA-C-O 123.017 1.389 . . . . 0.0 111.162 -177.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.19 -87.76 0.07 OUTLIER Glycine 0 C--N 1.392 3.692 0 N-CA-C 104.096 -3.602 . . . . 0.0 104.096 177.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.426 ' O ' ' SG ' ' A' ' 39' ' ' CYS 2.364 45.0 t 75.93 -50.62 0.62 Allowed 'General case' 0 C--N 1.388 2.271 0 C-N-CA 125.124 1.37 . . . . 0.0 111.96 176.713 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -76.22 74.44 3.04 Favored 'General case' 0 CA--C 1.581 2.172 0 N-CA-C 105.472 -2.048 . . . . 0.0 105.472 -176.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.8 t -121.38 82.86 39.59 Favored Pre-proline 0 C--N 1.388 2.273 0 N-CA-C 102.944 -2.984 . . . . 0.0 102.944 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -94.0 64.29 0.38 Allowed 'Trans proline' 0 C--N 1.399 3.19 0 N-CA-C 107.834 -1.641 . . . . 0.0 107.834 -172.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.44 143.46 30.91 Favored 'General case' 0 C--N 1.385 2.136 0 C-N-CA 124.443 1.097 . . . . 0.0 108.712 179.068 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.408 ' C ' ' H ' ' A' ' 46' ' ' MET . . . -91.97 -36.76 6.24 Favored Glycine 0 C--N 1.392 3.649 0 CA-C-O 118.448 -1.196 . . . . 0.0 112.37 177.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -80.45 23.72 0.49 Allowed 'General case' 0 C--N 1.388 2.276 0 CA-C-N 119.1 1.45 . . . . 0.0 111.316 175.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.408 ' H ' ' C ' ' A' ' 44' ' ' GLY . 8.9 ttm -123.84 117.51 27.32 Favored Pre-proline 0 CA--C 1.583 2.215 0 N-CA-C 103.787 -2.672 . . . . 0.0 103.787 170.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -84.74 96.95 0.67 Allowed 'Trans proline' 0 C--N 1.397 3.126 0 N-CA-C 106.473 -2.164 . . . . 0.0 106.473 -173.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.25 147.64 18.68 Favored Glycine 0 C--N 1.392 3.66 0 O-C-N 120.978 -1.077 . . . . 0.0 115.347 -178.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -60.82 171.4 3.68 Favored 'Trans proline' 0 C--N 1.39 2.723 0 C-N-CA 124.986 3.791 . . . . 0.0 113.844 169.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -85.92 149.52 25.15 Favored 'General case' 0 C--N 1.387 2.223 0 C-N-CA 118.245 -1.382 . . . . 0.0 110.09 178.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.5 m -124.54 166.94 15.17 Favored 'General case' 0 C--N 1.39 2.358 0 N-CA-C 117.514 2.413 . . . . 0.0 117.514 -166.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -146.47 149.48 33.75 Favored 'General case' 0 C--N 1.381 1.956 0 CA-C-N 113.111 -1.859 . . . . 0.0 109.069 -178.086 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . 0.288 0.1 OUTLIER -127.5 32.98 4.92 Favored 'General case' 0 C--N 1.385 2.122 0 CA-C-O 122.202 1.001 . . . . 0.0 111.361 177.078 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.3 t -119.01 -177.73 3.4 Favored 'General case' 0 CA--C 1.577 2.008 0 C-N-CA 127.854 2.461 . . . . 0.0 110.028 176.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.563 ' CG ' ' HZ1' ' A' ' 56' ' ' LYS . 45.1 t0 -83.59 114.13 21.31 Favored 'General case' 0 CA--C 1.586 2.356 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -175.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.563 ' HZ1' ' CG ' ' A' ' 55' ' ' ASP 0.271 3.9 mppt? 73.48 -63.61 0.43 Allowed 'General case' 0 C--N 1.402 2.884 0 C-N-CA 125.952 1.701 . . . . 0.0 111.881 178.773 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.294 67.8 m 75.84 53.64 0.06 Allowed 'General case' 0 C--N 1.376 1.736 0 C-N-CA 127.739 2.416 . . . . 0.0 109.079 -176.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 57.95 77.7 0.27 Allowed 'General case' 0 C--N 1.389 2.292 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 169.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.9 tp . . . . . 0 CA--C 1.583 2.217 0 N-CA-C 103.098 -2.927 . . . . 0.0 103.098 -175.083 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.538 3.948 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.0 mt -144.38 134.52 20.11 Favored 'Isoleucine or valine' 0 C--N 1.387 2.223 0 CA-C-N 119.73 1.15 . . . . 0.0 110.023 -172.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 99.5 m -136.1 151.11 49.46 Favored 'General case' 0 CA--C 1.593 2.611 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 166.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -94.27 135.55 35.54 Favored 'General case' 0 C--N 1.398 2.692 0 C-N-CA 118.45 -1.3 . . . . 0.0 114.447 -161.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -126.81 5.35 6.65 Favored 'General case' 0 C--N 1.395 2.581 0 O-C-N 121.314 -0.866 . . . . 0.0 113.069 -171.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.107 0.4 OUTLIER -72.4 -33.62 67.3 Favored 'General case' 0 C--N 1.382 2.001 0 C-N-CA 124.231 1.012 . . . . 0.0 113.362 -165.113 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.5 mt -58.39 -170.69 0.01 OUTLIER 'General case' 0 C--N 1.385 2.129 0 C-N-CA 128.403 2.681 . . . . 0.0 116.174 -173.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.04 38.91 17.7 Favored Glycine 0 C--N 1.388 3.455 0 CA-C-O 117.556 -1.691 . . . . 0.0 112.544 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.4 m 94.17 -37.7 0.02 OUTLIER 'General case' 0 C--N 1.393 2.497 0 C-N-CA 129.844 3.257 . . . . 0.0 110.02 -178.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -64.74 159.1 64.86 Favored Pre-proline 0 CA--C 1.587 2.368 0 C-N-CA 123.705 0.802 . . . . 0.0 110.149 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -74.91 158.99 42.21 Favored 'Trans proline' 0 C--N 1.4 3.253 0 N-CA-C 114.173 0.797 . . . . 0.0 114.173 -175.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.6 OUTLIER -53.95 138.98 70.35 Favored 'Trans proline' 0 C--N 1.396 3.044 0 C-N-CA 122.392 2.062 . . . . 0.0 115.097 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.263 0.1 OUTLIER 174.19 164.0 0.2 Allowed 'General case' 0 C--N 1.392 2.445 0 CA-C-O 122.913 1.34 . . . . 0.0 108.252 -179.137 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.2 p -136.34 154.66 50.78 Favored 'General case' 0 C--N 1.385 2.121 0 C-N-CA 119.279 -0.969 . . . . 0.0 113.173 -171.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -92.34 95.72 9.85 Favored 'General case' 0 C--N 1.384 2.099 0 N-CA-C 104.006 -2.59 . . . . 0.0 104.006 -178.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 93.5 m -89.86 106.14 18.27 Favored 'General case' 0 C--N 1.387 2.226 0 N-CA-C 103.593 -2.743 . . . . 0.0 103.593 -178.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -124.68 155.82 38.59 Favored 'General case' 0 C--N 1.385 2.142 0 CA-C-O 121.919 0.866 . . . . 0.0 112.992 -167.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -98.69 2.23 46.93 Favored 'General case' 0 C--N 1.383 2.03 0 CA-C-O 117.818 -1.087 . . . . 0.0 111.692 175.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -93.9 158.73 15.5 Favored 'General case' 0 C--N 1.394 2.523 0 CA-C-N 121.915 2.143 . . . . 0.0 113.171 -173.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.116 0.9 OUTLIER -46.01 -42.8 13.7 Favored 'General case' 0 C--N 1.387 2.218 0 C-N-CA 129.774 3.23 . . . . 0.0 115.246 -169.801 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.0 m -140.27 154.61 46.9 Favored 'General case' 0 C--N 1.384 2.095 0 CA-C-O 122.622 1.201 . . . . 0.0 112.934 -172.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.291 20.5 p -139.03 148.22 43.11 Favored 'General case' 0 C--N 1.387 2.207 0 CA-C-O 123.164 1.459 . . . . 0.0 112.191 174.433 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -118.68 166.94 12.14 Favored 'General case' 0 C--N 1.386 2.155 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 -163.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.647 ' HZ2' ' C ' ' A' ' 59' ' ' LEU . 7.1 mmtt -120.6 113.86 20.87 Favored 'General case' 0 C--N 1.386 2.153 0 N-CA-C 106.115 -1.809 . . . . 0.0 106.115 -177.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.49 ' H ' ' HB3' ' A' ' 35' ' ' ARG . 3.4 t30 -115.32 117.05 29.36 Favored 'General case' 0 CA--C 1.574 1.881 0 N-CA-C 102.473 -3.158 . . . . 0.0 102.473 -174.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -114.47 -21.06 5.61 Favored 'Isoleucine or valine' 0 C--N 1.394 2.506 0 N-CA-C 116.44 2.015 . . . . 0.0 116.44 -151.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.545 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -90.01 -106.39 0.09 Allowed 'General case' 0 CA--C 1.596 2.717 1 C-N-CA 135.963 5.705 . . . . 0.0 109.663 -178.321 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.2 t 81.93 157.74 0.13 Allowed 'General case' 0 C--N 1.396 2.589 0 C-N-CA 126.725 2.01 . . . . 0.0 114.502 176.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -75.93 -47.3 25.75 Favored 'General case' 0 C--N 1.397 2.643 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 172.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.6 p-10 -77.65 67.79 3.61 Favored 'General case' 0 C--N 1.388 2.261 0 N-CA-C 104.022 -2.584 . . . . 0.0 104.022 169.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -37.45 113.57 0.27 Allowed 'General case' 0 C--N 1.394 2.527 0 C-N-CA 129.014 2.926 . . . . 0.0 109.995 -167.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.5 tp 179.57 164.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.403 2.925 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -172.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 23.8 mt -90.53 99.45 9.59 Favored 'Isoleucine or valine' 0 C--N 1.397 2.648 0 N-CA-C 102.954 -2.98 . . . . 0.0 102.954 165.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.5 ttp85 -144.48 122.49 12.08 Favored 'General case' 0 C--N 1.382 2.014 0 N-CA-C 103.595 -2.743 . . . . 0.0 103.595 -176.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.49 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -158.8 -173.95 4.52 Favored 'General case' 0 C--N 1.389 2.288 0 C-N-CA 117.535 -1.666 . . . . 0.0 112.754 -156.323 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 175.33 -166.69 38.32 Favored Glycine 0 C--N 1.393 3.736 1 C-N-CA 112.214 -4.803 . . . . 0.0 120.576 -167.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.0 t -74.91 113.61 12.42 Favored 'General case' 0 C--N 1.386 2.153 0 CA-C-N 113.173 -1.514 . . . . 0.0 108.816 -176.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.63 -103.36 0.17 Allowed Glycine 0 C--N 1.396 3.881 0 N-CA-C 106.277 -2.729 . . . . 0.0 106.277 174.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.317 50.2 t 91.53 -45.27 0.02 OUTLIER 'General case' 0 C--N 1.384 2.089 0 CA-C-O 121.705 0.765 . . . . 0.0 112.079 175.12 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -90.92 81.88 5.67 Favored 'General case' 0 C--N 1.385 2.132 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 -168.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.3 t -111.49 100.69 48.7 Favored Pre-proline 0 C--N 1.389 2.302 0 N-CA-C 106.514 -1.661 . . . . 0.0 106.514 -178.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -96.3 62.57 0.15 Allowed 'Trans proline' 0 C--N 1.402 3.354 0 N-CA-C 104.841 -2.792 . . . . 0.0 104.841 178.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.33 120.01 12.53 Favored 'General case' 0 C--N 1.384 2.081 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -177.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.01 -16.05 75.76 Favored Glycine 0 C--N 1.393 3.74 0 O-C-N 120.786 -1.196 . . . . 0.0 112.923 174.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -100.59 27.3 5.93 Favored 'General case' 0 C--N 1.381 1.973 0 C-N-CA 126.41 1.884 . . . . 0.0 111.121 178.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -124.62 129.04 24.77 Favored Pre-proline 0 CA--C 1.573 1.855 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -72.98 100.77 1.25 Allowed 'Trans proline' 0 C--N 1.397 3.096 0 N-CA-C 106.201 -2.269 . . . . 0.0 106.201 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -78.18 113.31 3.68 Favored Glycine 0 CA--C 1.57 3.506 0 O-C-N 121.457 -0.777 . . . . 0.0 112.221 -176.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -62.21 171.84 4.79 Favored 'Trans proline' 0 C--N 1.392 2.83 0 C-N-CA 121.758 1.639 . . . . 0.0 111.52 166.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -96.59 163.04 13.19 Favored 'General case' 0 C--N 1.386 2.194 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.493 176.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.5 m -148.28 166.68 27.26 Favored 'General case' 0 C--N 1.398 2.698 0 N-CA-C 118.615 2.82 . . . . 0.0 118.615 -163.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.4 t -134.34 158.65 43.25 Favored 'General case' 0 C--N 1.385 2.147 0 CA-C-N 113.309 -1.768 . . . . 0.0 111.119 176.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -115.17 39.97 2.78 Favored 'General case' 0 C--N 1.384 2.103 0 CA-C-O 121.74 0.781 . . . . 0.0 110.228 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 38.5 m -154.55 171.12 19.95 Favored 'General case' 0 C--N 1.384 2.077 0 CA-C-O 122.151 0.976 . . . . 0.0 111.418 178.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -68.78 109.61 3.93 Favored 'General case' 0 CA--C 1.585 2.297 0 CA-C-O 123.063 1.411 . . . . 0.0 109.139 -173.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.269 0.0 OUTLIER 75.0 -73.33 0.1 Allowed 'General case' 0 C--N 1.395 2.555 0 C-N-CA 129.23 3.012 . . . . 0.0 109.821 -179.13 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 24.9 m 75.94 -49.49 0.6 Allowed 'General case' 0 C--N 1.384 2.104 0 C-N-CA 129.11 2.964 . . . . 0.0 110.97 -177.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -158.27 72.68 0.63 Allowed 'General case' 0 C--N 1.383 2.059 0 N-CA-C 104.324 -2.472 . . . . 0.0 104.324 -176.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.647 ' C ' ' HZ2' ' A' ' 24' ' ' LYS . 47.5 mt . . . . . 0 CA--C 1.615 3.462 0 C-N-CA 125.95 1.7 . . . . 0.0 107.936 -175.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.545 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 1 N--CA 1.539 4.015 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.1 mp -102.17 122.89 54.99 Favored 'Isoleucine or valine' 0 C--N 1.393 2.469 0 CA-C-N 118.94 0.791 . . . . 0.0 109.415 -174.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.2 m -139.21 149.7 44.68 Favored 'General case' 0 C--N 1.391 2.376 0 CA-C-O 122.516 1.151 . . . . 0.0 108.279 169.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -93.31 168.28 11.18 Favored 'General case' 0 C--N 1.387 2.209 0 N-CA-C 115.154 1.539 . . . . 0.0 115.154 -162.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 43.1 p-10 -141.81 24.36 2.03 Favored 'General case' 0 C--N 1.387 2.226 0 C-N-CA 118.539 -1.264 . . . . 0.0 111.368 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.188 18.0 m170 -73.79 -150.88 0.03 OUTLIER 'General case' 0 CA--C 1.585 2.313 0 C-N-CA 125.083 1.353 . . . . 0.0 111.127 -177.25 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.443 ' H ' ' HA ' ' A' ' 11' ' ' PRO . 30.3 mt 62.3 -174.75 0.14 Allowed 'General case' 0 C--N 1.394 2.504 0 O-C-N 120.548 -1.345 . . . . 0.0 112.253 175.762 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.72 45.73 90.45 Favored Glycine 0 C--N 1.385 3.251 0 CA-C-O 117.924 -1.487 . . . . 0.0 110.702 179.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 92.4 m 112.53 -41.72 0.0 OUTLIER 'General case' 0 C--N 1.392 2.431 0 C-N-CA 129.932 3.293 . . . . 0.0 110.732 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -135.24 118.37 12.84 Favored Pre-proline 0 C--N 1.384 2.09 0 CA-C-O 118.06 -0.971 . . . . 0.0 110.633 -168.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.443 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 66.1 Cg_exo -87.77 -2.6 7.37 Favored 'Trans proline' 0 CA--C 1.598 3.685 0 N-CA-C 120.819 3.354 . . . . 0.0 120.819 175.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -67.66 -10.32 28.36 Favored 'Trans proline' 0 C--N 1.396 3.063 1 N-CA-C 125.846 5.287 . . . . 0.0 125.846 -174.459 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.7 p -126.58 158.06 37.22 Favored 'General case' 0 C--N 1.392 2.438 0 CA-C-N 125.51 3.777 . . . . 0.0 117.407 -176.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 57.8 p -139.51 157.93 45.0 Favored 'General case' 0 C--N 1.387 2.217 0 CA-C-N 112.414 -2.175 . . . . 0.0 111.578 -173.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -112.55 106.14 14.51 Favored 'General case' 0 C--N 1.39 2.345 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 -177.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.3 m -76.02 105.51 7.1 Favored 'General case' 0 C--N 1.395 2.568 0 N-CA-C 101.559 -3.497 . . . . 0.0 101.559 166.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.0 t -120.57 154.46 35.35 Favored 'General case' 0 C--N 1.393 2.467 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -165.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -110.11 3.38 20.18 Favored 'General case' 0 C--N 1.383 2.04 0 C-N-CA 125.649 1.579 . . . . 0.0 110.553 176.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -89.94 97.45 11.19 Favored 'General case' 0 C--N 1.395 2.555 0 N-CA-C 101.688 -3.449 . . . . 0.0 101.688 172.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.545 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.191 30.9 m-20 -42.64 -17.75 0.01 OUTLIER 'General case' 0 CA--C 1.582 2.196 1 C-N-CA 133.23 4.612 . . . . 0.0 118.369 -166.427 . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.1 t -129.94 142.2 50.68 Favored 'General case' 0 C--N 1.376 1.751 0 C-N-CA 125.607 1.563 . . . . 0.0 107.333 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -127.12 165.81 18.83 Favored 'General case' 0 C--N 1.383 2.057 0 CA-C-O 122.447 1.117 . . . . 0.0 112.178 177.582 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 48.7 p90 -138.55 158.69 43.78 Favored 'General case' 0 C--N 1.376 1.755 0 CA-C-N 113.586 -1.643 . . . . 0.0 114.086 -168.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.686 ' HZ1' ' C ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -111.35 119.85 40.24 Favored 'General case' 0 C--N 1.381 1.96 0 CA-C-N 111.58 -2.555 . . . . 0.0 105.598 177.851 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -120.02 119.66 34.04 Favored 'General case' 0 CA--C 1.584 2.25 0 N-CA-C 102.594 -3.113 . . . . 0.0 102.594 -178.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.68 35.97 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.397 2.652 0 N-CA-C 115.665 1.728 . . . . 0.0 115.665 -151.03 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.498 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -154.19 -95.29 0.04 OUTLIER 'General case' 0 CA--C 1.575 1.936 0 CA-C-N 113.04 -1.891 . . . . 0.0 106.222 -164.509 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.1 t 77.22 -11.42 1.2 Allowed 'General case' 0 C--N 1.391 2.376 0 CA-C-O 117.327 -1.321 . . . . 0.0 113.465 173.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . 0.312 74.6 t80 89.79 -45.85 0.02 OUTLIER 'General case' 0 C--N 1.392 2.43 0 CA-C-N 121.938 2.154 . . . . 0.0 109.697 -176.539 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -65.7 -9.85 31.4 Favored 'General case' 0 CA--C 1.584 2.268 0 CA-C-O 118.145 -0.931 . . . . 0.0 110.839 172.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.0 t30 76.17 69.92 0.07 Allowed 'General case' 0 C--N 1.396 2.621 0 C-N-CA 127.354 2.262 . . . . 0.0 107.153 172.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 tp -167.77 164.42 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.392 2.428 0 C-N-CA 117.452 -1.699 . . . . 0.0 113.522 -171.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.5 mt -92.79 102.92 14.12 Favored 'Isoleucine or valine' 0 C--N 1.383 2.027 0 N-CA-C 105.59 -2.004 . . . . 0.0 105.59 174.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.99 120.61 19.39 Favored 'General case' 0 C--N 1.387 2.237 0 N-CA-C 102.644 -3.095 . . . . 0.0 102.644 174.257 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.54 -161.02 0.69 Allowed 'General case' 0 C--N 1.384 2.104 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.809 -161.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 159.27 -155.95 27.05 Favored Glycine 0 C--N 1.388 3.461 0 C-N-CA 115.722 -3.132 . . . . 0.0 115.419 -177.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.1 p -96.09 123.99 39.92 Favored 'General case' 0 C--N 1.385 2.135 0 CA-C-O 123.338 1.542 . . . . 0.0 112.107 -175.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.43 -85.43 0.06 OUTLIER Glycine 0 C--N 1.393 3.71 0 N-CA-C 104.167 -3.573 . . . . 0.0 104.167 173.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.31 51.7 t 82.59 -42.49 0.12 Allowed 'General case' 0 C--N 1.391 2.38 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 171.437 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -89.84 64.24 6.33 Favored 'General case' 0 C--N 1.386 2.185 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 -166.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.4 t -102.97 135.57 19.39 Favored Pre-proline 0 C--N 1.389 2.305 0 CA-C-O 121.149 0.499 . . . . 0.0 110.391 -177.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -70.44 179.89 3.73 Favored 'Trans proline' 0 C--N 1.397 3.124 0 C-N-CA 121.067 1.178 . . . . 0.0 113.277 172.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.5 tpt85 -82.49 77.56 9.25 Favored 'General case' 0 C--N 1.39 2.358 0 N-CA-C 104.827 -2.286 . . . . 0.0 104.827 178.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.09 173.0 48.24 Favored Glycine 0 C--N 1.386 3.345 0 CA-C-O 122.315 0.953 . . . . 0.0 113.025 175.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -99.35 43.2 1.07 Allowed 'General case' 0 C--N 1.376 1.724 0 CA-C-O 123.723 1.725 . . . . 0.0 107.404 176.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.1 mtp -137.63 143.83 42.23 Favored Pre-proline 0 CA--C 1.578 2.047 0 C-N-CA 129.229 3.012 . . . . 0.0 105.947 175.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.46 138.96 36.71 Favored 'Trans proline' 0 C--N 1.39 2.721 0 CA-C-O 123.163 1.235 . . . . 0.0 112.67 -173.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.22 134.06 11.87 Favored Glycine 1 CA--C 1.586 4.488 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 178.006 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -73.25 173.07 14.33 Favored 'Trans proline' 0 C--N 1.388 2.615 0 C-N-CA 124.156 3.237 . . . . 0.0 110.894 175.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -96.35 141.05 30.14 Favored 'General case' 0 C--N 1.392 2.434 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 176.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.0 m -123.32 166.71 14.84 Favored 'General case' 0 C--N 1.392 2.444 0 N-CA-C 117.797 2.517 . . . . 0.0 117.797 -167.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.8 t -135.95 162.03 33.99 Favored 'General case' 0 C--N 1.379 1.886 0 CA-C-N 112.003 -2.362 . . . . 0.0 110.689 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . 0.254 0.2 OUTLIER -126.49 38.69 4.08 Favored 'General case' 0 C--N 1.381 1.967 0 CA-C-O 121.752 0.787 . . . . 0.0 109.978 176.092 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.433 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 9.0 t -134.45 173.55 11.51 Favored 'General case' 0 C--N 1.385 2.112 0 C-N-CA 125.106 1.362 . . . . 0.0 110.69 178.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.497 ' CG ' ' NZ ' ' A' ' 56' ' ' LYS . 40.1 t0 -73.72 120.24 19.05 Favored 'General case' 0 CA--C 1.582 2.177 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 -176.303 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.497 ' NZ ' ' CG ' ' A' ' 55' ' ' ASP 0.273 0.0 OUTLIER 71.68 -68.35 0.22 Allowed 'General case' 0 C--N 1.399 2.734 0 C-N-CA 127.25 2.22 . . . . 0.0 111.047 -179.953 . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' ' 54' ' ' SER . 13.8 m 60.94 60.05 1.93 Allowed 'General case' 0 C--N 1.38 1.899 0 C-N-CA 127.721 2.408 . . . . 0.0 104.905 -170.548 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 52.8 t30 65.95 88.29 0.11 Allowed 'General case' 0 C--N 1.391 2.386 0 C-N-CA 125.066 1.346 . . . . 0.0 107.437 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.686 ' C ' ' HZ1' ' A' ' 24' ' ' LYS . 20.8 mt . . . . . 0 CA--C 1.6 2.894 0 C-N-CA 128.018 2.527 . . . . 0.0 110.646 176.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 17' ' ' CYS . 0.0 OUTLIER . . . . . 1 N--CA 1.54 4.029 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.0 mp -87.7 117.0 30.76 Favored 'Isoleucine or valine' 0 C--N 1.397 2.661 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 178.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -146.21 145.64 30.51 Favored 'General case' 0 C--N 1.389 2.311 0 N-CA-C 106.747 -1.575 . . . . 0.0 106.747 174.302 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -93.66 148.13 22.39 Favored 'General case' 0 C--N 1.398 2.676 0 C-N-CA 117.258 -1.777 . . . . 0.0 114.82 -158.174 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -118.24 37.83 3.89 Favored 'General case' 0 C--N 1.389 2.318 0 O-C-N 120.841 -1.162 . . . . 0.0 108.978 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.209 26.0 m170 -81.13 -154.85 0.11 Allowed 'General case' 0 C--N 1.385 2.135 0 C-N-CA 127.207 2.203 . . . . 0.0 113.412 -173.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.303 11.3 mt 59.09 -169.89 0.13 Allowed 'General case' 0 C--N 1.385 2.12 0 CA-C-O 122.183 0.992 . . . . 0.0 111.53 176.096 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.85 -58.35 3.66 Favored Glycine 0 C--N 1.383 3.14 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.545 -177.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.4 m -168.67 -41.09 0.02 OUTLIER 'General case' 0 C--N 1.383 2.03 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 -170.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -114.26 105.78 53.63 Favored Pre-proline 0 CA--C 1.586 2.354 0 N-CA-C 106.376 -1.713 . . . . 0.0 106.376 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_exo -79.79 -0.59 10.81 Favored 'Trans proline' 0 C--N 1.408 3.671 0 N-CA-C 121.718 3.699 . . . . 0.0 121.718 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -81.88 -23.37 4.69 Favored 'Trans proline' 0 C--N 1.4 3.265 1 N-CA-C 125.912 5.312 . . . . 0.0 125.912 -173.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.8 p -83.22 137.08 34.18 Favored 'General case' 0 C--N 1.398 2.682 0 CA-C-N 124.712 3.415 . . . . 0.0 113.475 -173.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 52.9 p -116.93 138.05 51.8 Favored 'General case' 0 C--N 1.375 1.681 0 CA-C-N 112.308 -2.224 . . . . 0.0 105.479 172.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -100.25 93.38 5.66 Favored 'General case' 0 C--N 1.383 2.049 0 N-CA-C 106.163 -1.791 . . . . 0.0 106.163 -171.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.7 t -61.87 127.51 31.77 Favored 'General case' 0 C--N 1.398 2.678 0 N-CA-C 103.501 -2.777 . . . . 0.0 103.501 162.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 1' ' ' ARG . 7.8 t -142.89 146.75 34.36 Favored 'General case' 0 C--N 1.382 2.015 0 CA-C-O 122.886 1.327 . . . . 0.0 110.151 -175.399 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -100.05 2.33 43.21 Favored 'General case' 0 CA--C 1.574 1.895 0 CA-C-N 113.657 -1.611 . . . . 0.0 110.268 -177.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -79.39 115.49 19.06 Favored 'General case' 0 C--N 1.394 2.532 0 N-CA-C 103.453 -2.795 . . . . 0.0 103.453 172.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.419 ' OD2' ' N ' ' A' ' 1' ' ' ARG 2.21 54.9 m-20 -60.76 1.79 0.13 Allowed 'General case' 0 C--N 1.392 2.452 0 C-N-CA 128.072 2.549 . . . . 0.0 117.276 -166.051 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 86.0 p -150.15 148.16 28.62 Favored 'General case' 0 C--N 1.382 1.996 0 CA-C-N 121.265 1.848 . . . . 0.0 108.035 174.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 p -139.37 155.07 47.9 Favored 'General case' 0 C--N 1.386 2.184 0 CA-C-O 123.476 1.608 . . . . 0.0 113.101 -175.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -134.93 147.78 49.88 Favored 'General case' 0 C--N 1.378 1.83 0 CA-C-N 113.434 -1.712 . . . . 0.0 113.33 -165.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.524 ' HZ1' ' C ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -104.02 126.98 51.55 Favored 'General case' 0 C--N 1.385 2.133 0 CA-C-O 123.707 1.718 . . . . 0.0 106.997 178.286 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.522 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 7.1 t30 -117.82 129.74 55.85 Favored 'General case' 0 CA--C 1.579 2.094 0 N-CA-C 104.443 -2.429 . . . . 0.0 104.443 -175.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.3 pp -137.96 14.38 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.403 2.903 0 N-CA-C 116.853 2.168 . . . . 0.0 116.853 -148.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.522 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -126.34 -104.89 0.34 Allowed 'General case' 0 CA--C 1.585 2.313 1 C-N-CA 132.729 4.412 . . . . 0.0 105.222 -168.898 . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.9 t 73.81 163.46 0.27 Allowed 'General case' 0 C--N 1.394 2.502 0 O-C-N 120.903 -1.123 . . . . 0.0 113.043 176.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -69.41 -46.38 66.96 Favored 'General case' 0 C--N 1.395 2.549 0 O-C-N 121.517 -0.74 . . . . 0.0 110.031 178.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -67.04 -5.0 11.26 Favored 'General case' 0 CA--C 1.578 2.053 0 C-N-CA 126.075 1.75 . . . . 0.0 112.161 176.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 65.52 74.85 0.37 Allowed 'General case' 0 C--N 1.398 2.703 0 CA-C-N 122.74 2.518 . . . . 0.0 106.643 174.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.1 tp -162.26 166.87 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.395 2.557 0 C-N-CA 118.524 -1.27 . . . . 0.0 114.313 -171.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -100.85 99.2 7.95 Favored 'Isoleucine or valine' 0 C--N 1.387 2.229 0 N-CA-C 104.973 -2.232 . . . . 0.0 104.973 176.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.47 136.79 16.65 Favored 'General case' 0 C--N 1.387 2.22 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 177.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.93 -171.73 0.67 Allowed 'General case' 0 C--N 1.4 2.784 0 C-N-CA 116.468 -2.093 . . . . 0.0 112.718 -148.169 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -172.66 -157.94 15.7 Favored Glycine 0 C--N 1.393 3.736 0 C-N-CA 113.908 -3.996 . . . . 0.0 117.978 -170.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.2 p -114.12 115.17 27.11 Favored 'General case' 0 C--N 1.387 2.202 0 CA-C-O 123.502 1.62 . . . . 0.0 110.225 -173.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.0 -81.11 0.05 OUTLIER Glycine 0 C--N 1.386 3.341 1 N-CA-C 101.056 -4.818 . . . . 0.0 101.056 177.377 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.419 ' SG ' ' N ' ' A' ' 40' ' ' PHE 2.362 42.7 t 73.14 -155.49 0.07 Allowed 'General case' 0 C--N 1.392 2.423 0 CA-C-O 123.721 1.724 . . . . 0.0 114.542 168.088 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.419 ' N ' ' SG ' ' A' ' 39' ' ' CYS 0.288 37.5 m-85 72.0 41.38 0.66 Allowed 'General case' 0 C--N 1.38 1.922 0 CA-C-N 112.35 -2.205 . . . . 0.0 109.605 179.343 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.7 p -92.52 140.59 24.07 Favored Pre-proline 0 C--N 1.394 2.543 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 170.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -53.4 147.9 35.52 Favored 'Trans proline' 0 C--N 1.394 2.943 0 C-N-CA 121.151 1.234 . . . . 0.0 111.565 173.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . 0.282 9.2 mmm-85 -95.65 32.78 1.75 Allowed 'General case' 0 C--N 1.393 2.471 0 N-CA-C 116.393 1.998 . . . . 0.0 116.393 -175.639 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -82.8 -11.47 81.53 Favored Glycine 0 CA--C 1.573 3.716 0 C-N-CA 119.069 -1.539 . . . . 0.0 109.721 153.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.35 88.2 m-20 59.5 55.62 4.04 Favored 'General case' 0 C--N 1.389 2.284 0 C-N-CA 128.844 2.858 . . . . 0.0 107.257 -177.544 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -74.62 127.19 87.73 Favored Pre-proline 0 C--N 1.391 2.38 0 N-CA-C 105.814 -1.921 . . . . 0.0 105.814 170.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 0.0 OUTLIER 20.5 70.19 0.0 OUTLIER 'Trans proline' 0 C--N 1.407 3.636 0 C-N-CA 124.812 3.675 . . . . 0.0 112.532 177.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -150.69 163.55 29.67 Favored Glycine 0 C--N 1.388 3.439 0 CA-C-N 115.041 -0.981 . . . . 0.0 112.184 -178.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -65.16 169.43 12.18 Favored 'Trans proline' 0 C--N 1.386 2.521 0 CA-C-O 123.277 1.282 . . . . 0.0 109.451 167.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.12 109.62 16.59 Favored 'General case' 0 CA--C 1.58 2.099 0 N-CA-C 101.562 -3.495 . . . . 0.0 101.562 177.172 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 44.7 t -116.94 118.23 31.87 Favored 'General case' 0 C--N 1.395 2.545 0 CA-C-O 123.792 1.758 . . . . 0.0 110.489 -168.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 33.7 t -111.49 176.07 5.17 Favored 'General case' 0 C--N 1.383 2.023 0 C-N-CA 124.866 1.267 . . . . 0.0 113.296 179.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -149.8 63.49 0.99 Allowed 'General case' 0 C--N 1.386 2.187 0 CA-C-O 122.299 1.047 . . . . 0.0 108.998 -172.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.0 m -151.25 166.84 29.69 Favored 'General case' 0 C--N 1.382 2.0 0 C-N-CA 124.717 1.207 . . . . 0.0 109.0 176.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.509 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 25.3 t0 -64.14 120.14 11.52 Favored 'General case' 0 C--N 1.394 2.529 0 N-CA-C 106.458 -1.682 . . . . 0.0 106.458 -178.429 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.509 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.299 3.7 mptt 74.19 -65.84 0.33 Allowed 'General case' 0 C--N 1.399 2.739 0 C-N-CA 127.139 2.176 . . . . 0.0 109.331 -176.181 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 47.7 t 58.21 65.45 1.28 Allowed 'General case' 0 C--N 1.376 1.76 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -175.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 12.0 t30 63.66 81.16 0.21 Allowed 'General case' 0 C--N 1.387 2.2 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 173.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.524 ' C ' ' HZ1' ' A' ' 24' ' ' LYS . 82.5 mt . . . . . 0 CA--C 1.595 2.701 0 CA-C-O 116.216 -1.85 . . . . 0.0 108.356 176.848 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.431 HH21 ' CG ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 1 N--CA 1.542 4.142 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 . . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.6 mp -90.48 120.9 40.14 Favored 'Isoleucine or valine' 0 C--N 1.39 2.347 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 177.468 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 m -135.15 150.88 50.25 Favored 'General case' 0 C--N 1.388 2.248 0 N-CA-C 107.005 -1.479 . . . . 0.0 107.005 169.546 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -74.67 166.45 23.56 Favored 'General case' 0 C--N 1.384 2.1 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 -172.229 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -160.21 63.6 0.34 Allowed 'General case' 0 C--N 1.387 2.236 0 N-CA-C 103.212 -2.884 . . . . 0.0 103.212 170.693 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.223 17.9 m170 -110.68 -162.59 0.8 Allowed 'General case' 0 C--N 1.386 2.196 0 C-N-CA 127.054 2.142 . . . . 0.0 111.479 177.861 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.512 ' H ' ' HA ' ' A' ' 11' ' ' PRO . 24.8 mt 68.77 -174.21 0.19 Allowed 'General case' 0 C--N 1.38 1.902 0 C-N-CA 126.554 1.942 . . . . 0.0 114.598 175.668 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.76 -82.89 1.61 Allowed Glycine 0 C--N 1.383 3.194 0 N-CA-C 108.207 -1.957 . . . . 0.0 108.207 -179.283 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 85.3 m -117.73 -38.66 3.24 Favored 'General case' 0 C--N 1.378 1.817 0 C-N-CA 124.892 1.277 . . . . 0.0 110.438 -178.155 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -124.94 126.09 25.31 Favored Pre-proline 0 C--N 1.385 2.122 0 CA-C-O 118.034 -0.984 . . . . 0.0 108.908 -177.196 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.512 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 95.4 Cg_exo -87.64 -11.78 4.74 Favored 'Trans proline' 0 C--N 1.407 3.658 0 N-CA-C 121.476 3.606 . . . . 0.0 121.476 179.475 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -88.11 -19.17 2.09 Favored 'Trans proline' 0 C--N 1.4 3.261 1 N-CA-C 126.821 5.662 . . . . 0.0 126.821 -173.446 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 80.0 p -73.77 136.18 43.6 Favored 'General case' 0 C--N 1.395 2.558 0 CA-C-N 124.836 3.471 . . . . 0.0 112.278 -173.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 51.1 p -131.75 137.07 48.05 Favored 'General case' 0 C--N 1.376 1.757 0 CA-C-N 112.78 -2.009 . . . . 0.0 105.58 177.467 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -118.38 114.1 22.41 Favored 'General case' 0 C--N 1.384 2.081 0 CA-C-O 122.659 1.219 . . . . 0.0 110.705 -161.627 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.7 m -82.98 114.61 21.37 Favored 'General case' 0 C--N 1.387 2.236 0 N-CA-C 104.619 -2.363 . . . . 0.0 104.619 175.392 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 t -119.9 148.89 42.95 Favored 'General case' 0 C--N 1.39 2.331 0 O-C-N 120.962 -1.086 . . . . 0.0 112.245 -173.562 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.403 ' H ' ' CD ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -96.23 -14.78 22.44 Favored 'General case' 0 C--N 1.383 2.034 0 C-N-CA 125.707 1.603 . . . . 0.0 111.812 177.526 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -78.58 130.09 35.55 Favored 'General case' 0 C--N 1.394 2.521 0 N-CA-C 104.386 -2.45 . . . . 0.0 104.386 170.179 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.431 ' CG ' HH21 ' A' ' 1' ' ' ARG 2.11 31.6 m-20 -68.4 11.18 0.18 Allowed 'General case' 0 C--N 1.385 2.132 0 C-N-CA 127.734 2.414 . . . . 0.0 117.494 -169.095 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.1 m -153.81 152.07 30.27 Favored 'General case' 0 C--N 1.381 1.973 0 CA-C-N 121.487 1.948 . . . . 0.0 109.15 -177.334 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.0 p -140.62 160.51 39.86 Favored 'General case' 0 C--N 1.38 1.91 0 CA-C-N 114.059 -1.428 . . . . 0.0 112.085 -177.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -123.52 149.14 45.56 Favored 'General case' 0 C--N 1.376 1.733 0 CA-C-N 113.904 -1.498 . . . . 0.0 113.19 -166.747 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.532 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 0.7 OUTLIER -113.44 111.34 21.79 Favored 'General case' 0 C--N 1.386 2.194 0 N-CA-C 104.669 -2.345 . . . . 0.0 104.669 178.217 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.434 ' H ' ' HB3' ' A' ' 35' ' ' ARG . 1.1 t30 -116.46 118.19 32.0 Favored 'General case' 0 CA--C 1.585 2.312 0 N-CA-C 102.633 -3.099 . . . . 0.0 102.633 -177.494 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.71 -24.32 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.401 2.818 0 N-CA-C 117.687 2.477 . . . . 0.0 117.687 -152.858 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.597 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -61.54 -101.52 0.0 OUTLIER 'General case' 0 CA--C 1.587 2.391 0 C-N-CA 130.743 3.617 . . . . 0.0 107.474 166.307 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.7 t 73.78 153.99 0.15 Allowed 'General case' 0 C--N 1.394 2.531 0 CA-C-O 123.227 1.489 . . . . 0.0 109.765 -176.242 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -68.13 -32.54 72.89 Favored 'General case' 0 C--N 1.382 2.003 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.794 179.785 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 51.7 p30 -82.66 0.77 41.65 Favored 'General case' 0 CA--C 1.581 2.145 0 C-N-CA 126.343 1.857 . . . . 0.0 112.846 177.724 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 66.85 69.17 0.41 Allowed 'General case' 0 C--N 1.397 2.666 0 CA-C-N 122.164 2.256 . . . . 0.0 106.951 174.121 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 tp -162.39 162.68 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.395 2.561 0 C-N-CA 118.342 -1.343 . . . . 0.0 114.086 -172.415 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.3 mt -94.75 98.14 7.69 Favored 'Isoleucine or valine' 0 C--N 1.388 2.255 0 N-CA-C 105.807 -1.923 . . . . 0.0 105.807 176.898 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.15 115.03 9.09 Favored 'General case' 0 C--N 1.383 2.048 0 N-CA-C 103.347 -2.834 . . . . 0.0 103.347 -177.263 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.482 HH21 ' C ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -159.15 -167.42 2.07 Favored 'General case' 0 C--N 1.385 2.137 0 CA-C-N 113.275 -1.784 . . . . 0.0 111.905 -158.659 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 178.59 -164.14 32.46 Favored Glycine 0 C--N 1.39 3.533 1 C-N-CA 113.057 -4.402 . . . . 0.0 119.236 -172.132 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 40.0 t -86.75 112.32 21.57 Favored 'General case' 0 C--N 1.387 2.212 0 CA-C-N 114.118 -1.041 . . . . 0.0 109.029 -176.804 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.23 -82.04 0.05 OUTLIER Glycine 0 C--N 1.393 3.719 0 N-CA-C 105.352 -3.099 . . . . 0.0 105.352 173.322 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.374 17.6 t 64.37 -153.74 0.3 Allowed 'General case' 0 C--N 1.39 2.353 0 C-N-CA 119.115 -1.034 . . . . 0.0 111.061 -177.066 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 50.41 54.2 11.57 Favored 'General case' 0 C--N 1.385 2.132 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 174.098 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.8 t -113.93 93.81 31.13 Favored Pre-proline 0 C--N 1.399 2.718 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 -176.157 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -91.18 62.44 1.23 Allowed 'Trans proline' 0 C--N 1.402 3.352 0 N-CA-C 105.599 -2.5 . . . . 0.0 105.599 175.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -126.28 110.56 13.55 Favored 'General case' 0 C--N 1.389 2.284 0 N-CA-C 105.918 -1.882 . . . . 0.0 105.918 -178.37 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -103.74 -27.87 6.18 Favored Glycine 0 C--N 1.395 3.854 0 CA-C-O 116.694 -2.17 . . . . 0.0 114.748 -179.575 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -83.32 19.44 1.51 Allowed 'General case' 0 C--N 1.392 2.435 0 CA-C-N 121.787 2.794 . . . . 0.0 112.236 178.267 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 25.9 ttp -167.31 98.31 0.63 Allowed Pre-proline 0 C--N 1.375 1.685 0 N-CA-C 100.836 -3.764 . . . . 0.0 100.836 179.899 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -73.57 124.74 9.55 Favored 'Trans proline' 0 C--N 1.394 2.942 0 C-N-CA 117.515 -1.19 . . . . 0.0 110.232 -173.05 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.65 178.64 42.09 Favored Glycine 0 C--N 1.388 3.47 0 O-C-N 121.258 -0.901 . . . . 0.0 112.835 178.028 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -61.2 156.23 46.57 Favored 'Trans proline' 0 C--N 1.39 2.723 0 N-CA-C 107.903 -1.614 . . . . 0.0 107.903 169.732 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -74.39 147.66 41.92 Favored 'General case' 0 C--N 1.392 2.422 0 C-N-CA 117.418 -1.713 . . . . 0.0 110.076 -178.808 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.6 m -118.02 155.4 30.38 Favored 'General case' 0 C--N 1.389 2.286 0 CA-C-O 124.3 2.0 . . . . 0.0 115.258 -171.745 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 45.3 t -134.97 167.91 20.06 Favored 'General case' 0 C--N 1.375 1.7 0 CA-C-N 111.287 -2.688 . . . . 0.0 111.052 -178.202 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -146.99 46.37 1.17 Allowed 'General case' 0 C--N 1.379 1.858 0 CA-C-N 115.619 -0.718 . . . . 0.0 109.629 -179.191 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.5 p -137.3 174.11 10.95 Favored 'General case' 0 C--N 1.386 2.16 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 -175.608 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.481 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 26.2 t0 -73.82 129.37 37.77 Favored 'General case' 0 C--N 1.394 2.529 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 173.957 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.481 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 41.3 mmtm 73.4 -53.73 0.69 Allowed 'General case' 0 C--N 1.387 2.203 0 C-N-CA 128.09 2.556 . . . . 0.0 113.279 175.432 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 78.2 m 74.52 39.01 0.47 Allowed 'General case' 0 C--N 1.38 1.922 0 C-N-CA 125.826 1.65 . . . . 0.0 110.643 -177.508 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.298 0.2 OUTLIER 56.27 70.51 0.64 Allowed 'General case' 0 C--N 1.391 2.386 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 170.167 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.532 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 14.9 tp . . . . . 0 C--N 1.389 2.308 0 C-N-CA 126.766 2.026 . . . . 0.0 106.307 173.961 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.497 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.534 3.761 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.8 mp -96.26 130.22 45.23 Favored 'Isoleucine or valine' 0 C--N 1.391 2.389 0 CA-C-O 122.106 0.955 . . . . 0.0 110.742 -175.437 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.9 m -140.99 155.19 46.26 Favored 'General case' 0 C--N 1.389 2.316 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 166.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -95.21 152.34 18.45 Favored 'General case' 0 C--N 1.386 2.173 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -165.832 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.0 p-10 -136.8 32.26 2.72 Favored 'General case' 0 C--N 1.392 2.428 0 C-N-CA 118.987 -1.085 . . . . 0.0 111.777 -174.77 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.212 5.5 m170 -81.25 -145.27 0.05 Allowed 'General case' 0 C--N 1.383 2.042 0 CA-C-O 122.513 1.149 . . . . 0.0 111.24 -173.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.54 ' H ' ' HA ' ' A' ' 11' ' ' PRO . 92.2 mt 62.48 -179.2 0.14 Allowed 'General case' 0 C--N 1.384 2.077 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 172.629 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 46.24 61.3 4.12 Favored Glycine 0 C--N 1.39 3.549 0 CA-C-O 116.71 -2.161 . . . . 0.0 112.117 175.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.2 m 115.83 -41.16 0.01 OUTLIER 'General case' 0 C--N 1.394 2.518 0 C-N-CA 128.984 2.914 . . . . 0.0 110.51 175.739 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -140.57 110.22 6.79 Favored Pre-proline 0 CA--C 1.581 2.157 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -176.362 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.54 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 88.8 Cg_exo -79.52 -6.48 14.55 Favored 'Trans proline' 0 CA--C 1.593 3.454 1 N-CA-C 124.051 4.597 . . . . 0.0 124.051 -177.003 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -92.71 -23.07 0.35 Allowed 'Trans proline' 0 C--N 1.398 3.183 1 N-CA-C 125.353 5.097 . . . . 0.0 125.353 -171.944 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.2 p -84.56 161.61 20.13 Favored 'General case' 0 C--N 1.393 2.464 0 CA-C-N 123.409 2.822 . . . . 0.0 118.22 -170.374 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 35.3 p -139.41 154.62 47.84 Favored 'General case' 0 C--N 1.377 1.798 0 CA-C-N 110.444 -3.071 . . . . 0.0 109.954 -172.65 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -121.07 96.87 5.27 Favored 'General case' 0 C--N 1.383 2.05 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 -171.221 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.1 t -78.83 116.35 19.11 Favored 'General case' 0 C--N 1.393 2.476 0 N-CA-C 103.269 -2.863 . . . . 0.0 103.269 170.499 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.6 t -140.67 148.46 40.87 Favored 'General case' 0 C--N 1.394 2.506 0 CA-C-O 123.566 1.65 . . . . 0.0 113.365 -164.238 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -95.41 22.01 7.45 Favored 'General case' 0 C--N 1.381 1.948 0 CA-C-N 112.494 -2.139 . . . . 0.0 112.879 -176.57 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -104.02 121.78 43.88 Favored 'General case' 0 C--N 1.383 2.024 0 N-CA-C 102.518 -3.142 . . . . 0.0 102.518 170.471 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.497 ' OD2' ' N ' ' A' ' 1' ' ' ARG 2.17 58.5 m-20 -63.89 2.89 0.44 Allowed 'General case' 0 C--N 1.388 2.271 0 C-N-CA 126.404 1.882 . . . . 0.0 115.577 -172.98 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.2 p -152.55 159.0 43.31 Favored 'General case' 0 C--N 1.383 2.025 0 CA-C-N 120.317 1.417 . . . . 0.0 108.609 179.249 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.5 p -139.87 163.21 33.24 Favored 'General case' 0 C--N 1.376 1.722 0 CA-C-N 114.527 -1.215 . . . . 0.0 111.358 178.717 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -120.02 155.84 32.08 Favored 'General case' 0 C--N 1.374 1.654 0 CA-C-O 122.692 1.234 . . . . 0.0 113.555 -171.772 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.456 ' HZ1' ' C ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -108.25 112.62 25.2 Favored 'General case' 0 CA--C 1.581 2.165 0 N-CA-C 103.42 -2.808 . . . . 0.0 103.42 174.504 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.511 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 4.2 t30 -117.06 120.26 37.82 Favored 'General case' 0 CA--C 1.584 2.25 0 N-CA-C 103.027 -2.953 . . . . 0.0 103.027 179.358 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -132.91 -27.98 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.402 2.884 0 N-CA-C 118.506 2.78 . . . . 0.0 118.506 -153.847 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.569 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -66.1 -110.2 0.0 OUTLIER 'General case' 0 CA--C 1.585 2.292 1 C-N-CA 133.242 4.617 . . . . 0.0 108.229 176.321 . . . . . . . . 4 4 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 t 79.34 157.39 0.16 Allowed 'General case' 0 C--N 1.395 2.572 0 C-N-CA 124.755 1.222 . . . . 0.0 112.325 179.087 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -65.68 -52.97 47.32 Favored 'General case' 0 C--N 1.397 2.637 0 N-CA-C 106.616 -1.624 . . . . 0.0 106.616 172.699 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -78.42 87.07 4.44 Favored 'General case' 0 C--N 1.382 2.014 0 N-CA-C 103.664 -2.717 . . . . 0.0 103.664 173.754 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -52.28 112.6 0.83 Allowed 'General case' 0 C--N 1.397 2.638 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -168.578 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 tp -170.62 157.96 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.4 2.795 0 C-N-CA 118.536 -1.266 . . . . 0.0 112.874 -174.621 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.8 mp -98.95 99.89 9.44 Favored 'Isoleucine or valine' 0 C--N 1.388 2.274 0 N-CA-C 104.563 -2.384 . . . . 0.0 104.563 179.578 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.68 107.02 5.79 Favored 'General case' 0 C--N 1.38 1.915 0 N-CA-C 102.021 -3.326 . . . . 0.0 102.021 -174.894 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . 0.254 0.0 OUTLIER -147.29 -165.17 2.18 Favored 'General case' 0 C--N 1.386 2.19 0 CA-C-N 113.977 -1.465 . . . . 0.0 113.476 -158.763 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 174.29 -175.98 46.66 Favored Glycine 0 C--N 1.395 3.809 1 C-N-CA 113.078 -4.392 . . . . 0.0 119.859 -169.726 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.6 p -85.9 118.02 25.12 Favored 'General case' 0 C--N 1.393 2.458 0 CA-C-O 123.311 1.529 . . . . 0.0 109.727 -178.64 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.5 -94.61 0.1 OUTLIER Glycine 0 C--N 1.391 3.613 0 N-CA-C 104.081 -3.608 . . . . 0.0 104.081 175.448 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.345 51.1 t 71.52 -158.37 0.12 Allowed 'General case' 0 C--N 1.386 2.181 0 CA-C-O 122.007 0.908 . . . . 0.0 112.421 179.003 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 53.35 42.96 32.0 Favored 'General case' 0 CA--C 1.58 2.13 0 CA-C-N 114.959 -1.018 . . . . 0.0 108.417 177.082 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.0 t -118.12 141.5 29.51 Favored Pre-proline 0 C--N 1.39 2.33 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.015 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -60.05 131.88 41.6 Favored 'Trans proline' 0 C--N 1.396 3.041 0 N-CA-C 107.062 -1.938 . . . . 0.0 107.062 175.767 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.6 tpt85 -147.58 98.28 2.96 Favored 'General case' 0 C--N 1.385 2.114 0 N-CA-C 105.319 -2.104 . . . . 0.0 105.319 179.679 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -95.02 -92.94 1.7 Allowed Glycine 0 C--N 1.389 3.502 1 N-CA-C 102.129 -4.388 . . . . 0.0 102.129 167.645 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.332 1.0 OUTLIER -149.41 63.35 1.02 Allowed 'General case' 0 C--N 1.389 2.292 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 165.204 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.4 ptt? -121.62 -154.33 0.02 OUTLIER Pre-proline 0 CA--C 1.599 2.854 0 CA-C-N 112.998 -1.91 . . . . 0.0 108.277 171.043 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -66.13 154.1 75.43 Favored 'Trans proline' 0 C--N 1.401 3.314 0 CA-C-N 121.462 1.558 . . . . 0.0 113.386 177.884 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 132.4 144.27 5.26 Favored Glycine 0 C--N 1.39 3.535 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -179.621 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -71.74 165.23 33.18 Favored 'Trans proline' 0 C--N 1.39 2.754 0 N-CA-C 108.273 -1.472 . . . . 0.0 108.273 168.782 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.4 ' CE2' ' HB3' ' A' ' 24' ' ' LYS . 6.5 p90 -96.39 145.1 25.93 Favored 'General case' 0 C--N 1.383 2.028 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.378 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.2 m -119.56 157.94 27.35 Favored 'General case' 0 C--N 1.391 2.405 0 N-CA-C 116.733 2.123 . . . . 0.0 116.733 -165.72 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.4 t -134.86 160.43 38.27 Favored 'General case' 0 C--N 1.382 1.99 0 CA-C-N 113.295 -1.775 . . . . 0.0 110.251 177.221 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -134.95 53.89 1.97 Allowed 'General case' 0 C--N 1.386 2.161 0 CA-C-O 122.512 1.148 . . . . 0.0 110.536 -172.761 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.0 t -151.32 169.92 20.78 Favored 'General case' 0 C--N 1.377 1.788 0 C-N-CA 126.618 1.967 . . . . 0.0 107.633 174.108 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.538 ' CG ' ' NZ ' ' A' ' 56' ' ' LYS . 35.3 p-10 -69.37 140.15 54.21 Favored 'General case' 0 C--N 1.388 2.25 0 C-N-CA 117.302 -1.759 . . . . 0.0 108.468 172.734 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.538 ' NZ ' ' CG ' ' A' ' 55' ' ' ASP . 1.0 OUTLIER 70.71 -80.35 0.04 OUTLIER 'General case' 0 C--N 1.391 2.372 0 C-N-CA 125.384 1.474 . . . . 0.0 111.173 177.244 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.26 56.9 m 68.03 70.88 0.32 Allowed 'General case' 0 C--N 1.384 2.071 0 N-CA-C 102.731 -3.063 . . . . 0.0 102.731 -165.62 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.25 29.3 t30 81.18 -62.76 0.19 Allowed 'General case' 0 C--N 1.39 2.342 0 C-N-CA 129.813 3.245 . . . . 0.0 108.797 -178.64 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.456 ' C ' ' HZ1' ' A' ' 24' ' ' LYS . 2.5 pt? . . . . . 0 CA--C 1.58 2.134 0 N-CA-C 103.888 -2.634 . . . . 0.0 103.888 175.91 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.491 ' H3 ' ' CG ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 1 N--CA 1.546 4.367 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 . . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.4 mp -93.14 124.26 45.51 Favored 'Isoleucine or valine' 0 C--N 1.395 2.561 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 178.064 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -142.38 178.96 7.23 Favored 'General case' 0 C--N 1.385 2.126 0 O-C-N 121.34 -0.85 . . . . 0.0 109.75 173.212 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -107.31 160.59 15.5 Favored 'General case' 0 C--N 1.382 1.985 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -172.547 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 45.0 p-10 -158.74 36.05 0.22 Allowed 'General case' 0 C--N 1.392 2.42 0 C-N-CA 118.966 -1.094 . . . . 0.0 109.797 -179.678 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.2 6.7 m170 -77.26 -159.62 0.14 Allowed 'General case' 0 C--N 1.384 2.097 0 C-N-CA 125.061 1.344 . . . . 0.0 112.848 -176.888 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.416 ' H ' ' HA ' ' A' ' 11' ' ' PRO 0.342 84.7 mt 69.04 -176.33 0.2 Allowed 'General case' 0 C--N 1.384 2.066 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 172.05 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.51 -97.36 1.82 Allowed Glycine 0 C--N 1.384 3.242 0 N-CA-C 106.382 -2.687 . . . . 0.0 106.382 -167.236 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.0 m -103.32 -43.0 5.56 Favored 'General case' 0 C--N 1.383 2.022 0 C-N-CA 124.412 1.085 . . . . 0.0 111.227 -178.121 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -117.33 121.18 32.54 Favored Pre-proline 0 C--N 1.385 2.139 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -174.78 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.416 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 91.1 Cg_exo -81.78 -19.86 6.99 Favored 'Trans proline' 0 CA--C 1.59 3.318 0 N-CA-C 119.377 2.799 . . . . 0.0 119.377 -179.868 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.6 OUTLIER -79.27 -15.34 12.77 Favored 'Trans proline' 0 C--N 1.4 3.246 1 N-CA-C 127.877 6.068 . . . . 0.0 127.877 -174.568 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.7 p -82.28 137.01 34.95 Favored 'General case' 0 C--N 1.397 2.644 1 CA-C-N 126.503 4.229 . . . . 0.0 114.707 -172.436 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 58.8 p -142.44 141.32 32.18 Favored 'General case' 0 C--N 1.376 1.757 0 C-N-CA 129.188 2.995 . . . . 0.0 105.357 178.649 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -168.55 153.41 6.21 Favored 'General case' 0 C--N 1.387 2.208 0 C-N-CA 115.021 -2.672 . . . . 0.0 114.21 -165.895 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.1 t -73.23 132.25 42.95 Favored 'General case' 0 C--N 1.386 2.164 0 CA-C-N 113.548 -1.66 . . . . 0.0 108.032 175.895 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.6 t -127.84 150.34 49.89 Favored 'General case' 0 C--N 1.381 1.936 0 CA-C-O 123.828 1.775 . . . . 0.0 110.41 179.761 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -90.36 -18.76 24.93 Favored 'General case' 0 C--N 1.376 1.757 0 CA-C-N 111.906 -2.406 . . . . 0.0 112.046 -174.105 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -76.01 124.59 27.63 Favored 'General case' 0 C--N 1.394 2.518 0 N-CA-C 105.323 -2.102 . . . . 0.0 105.323 172.805 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.491 ' CG ' ' H3 ' ' A' ' 1' ' ' ARG 2.109 37.2 m-20 -66.23 4.73 0.65 Allowed 'General case' 0 CA--C 1.581 2.166 0 C-N-CA 127.824 2.449 . . . . 0.0 116.443 -172.027 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.0 t -140.91 139.82 34.4 Favored 'General case' 0 C--N 1.382 1.984 0 CA-C-N 120.727 1.603 . . . . 0.0 107.705 -178.087 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.2 p -140.14 140.3 35.96 Favored 'General case' 0 C--N 1.388 2.272 0 CA-C-O 124.089 1.899 . . . . 0.0 110.585 179.683 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -127.51 155.2 44.12 Favored 'General case' 0 C--N 1.384 2.101 0 CA-C-N 113.313 -1.767 . . . . 0.0 115.449 -158.265 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.413 ' NZ ' ' O ' ' A' ' 58' ' ' ASN . 1.4 mptp? -98.02 107.26 19.7 Favored 'General case' 0 C--N 1.389 2.313 0 N-CA-C 106.082 -1.821 . . . . 0.0 106.082 -179.132 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.4 ' H ' ' CB ' ' A' ' 35' ' ' ARG . 2.0 t30 -117.58 117.48 29.52 Favored 'General case' 0 CA--C 1.58 2.128 0 N-CA-C 104.924 -2.251 . . . . 0.0 104.924 -177.686 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.06 -22.15 2.41 Favored 'Isoleucine or valine' 0 C--N 1.393 2.49 0 N-CA-C 115.856 1.798 . . . . 0.0 115.856 -154.636 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.53 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -84.75 -99.25 0.06 Allowed 'General case' 0 CA--C 1.578 2.054 1 C-N-CA 134.206 5.002 . . . . 0.0 107.865 179.496 . . . . . . . . 4 4 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.2 t 72.92 157.4 0.19 Allowed 'General case' 0 C--N 1.393 2.464 0 C-N-CA 124.903 1.281 . . . . 0.0 108.882 -174.101 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -60.21 -54.37 46.65 Favored 'General case' 0 C--N 1.387 2.234 0 N-CA-C 107.694 -1.225 . . . . 0.0 107.694 177.245 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -65.54 105.48 1.21 Allowed 'General case' 0 C--N 1.381 1.974 0 N-CA-C 103.813 -2.662 . . . . 0.0 103.813 168.406 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -63.09 110.9 1.97 Allowed 'General case' 0 C--N 1.403 2.923 0 O-C-N 120.199 -1.563 . . . . 0.0 106.971 -172.385 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.6 tp -173.3 151.93 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.396 2.623 0 CA-C-O 122.732 1.253 . . . . 0.0 110.158 -168.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 24.1 mt -85.41 115.79 27.61 Favored 'Isoleucine or valine' 0 C--N 1.386 2.175 0 N-CA-C 104.484 -2.413 . . . . 0.0 104.484 172.109 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.77 85.85 1.05 Allowed 'General case' 0 C--N 1.386 2.174 0 N-CA-C 102.147 -3.279 . . . . 0.0 102.147 -179.157 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.4 ' CB ' ' H ' ' A' ' 25' ' ' ASN 0.255 0.0 OUTLIER -110.81 -170.85 1.71 Allowed 'General case' 0 C--N 1.374 1.633 0 CA-C-N 110.715 -2.948 . . . . 0.0 114.081 -168.39 . . . . . . . . 4 4 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -179.76 -173.23 44.63 Favored Glycine 0 C--N 1.398 3.975 1 C-N-CA 111.881 -4.961 . . . . 0.0 119.283 -169.026 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.8 p -104.89 106.37 16.83 Favored 'General case' 0 C--N 1.383 2.048 0 CA-C-O 122.931 1.348 . . . . 0.0 108.337 -179.386 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.78 -87.87 0.07 OUTLIER Glycine 0 C--N 1.389 3.508 0 N-CA-C 104.373 -3.491 . . . . 0.0 104.373 177.283 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.367 36.0 t 68.01 -144.74 0.12 Allowed 'General case' 0 C--N 1.389 2.31 0 CA-C-O 122.174 0.988 . . . . 0.0 110.366 177.603 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 51.78 34.54 13.37 Favored 'General case' 0 C--N 1.385 2.142 0 C-N-CA 124.758 1.223 . . . . 0.0 110.508 177.756 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -126.89 103.23 24.07 Favored Pre-proline 0 C--N 1.381 1.972 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 -175.035 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -55.16 141.84 79.23 Favored 'Trans proline' 0 C--N 1.393 2.874 0 C-N-CA 120.958 1.105 . . . . 0.0 110.259 172.818 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.2 ttt-85 -99.69 100.13 11.07 Favored 'General case' 0 C--N 1.386 2.165 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 -178.818 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.55 -93.01 0.52 Allowed Glycine 0 C--N 1.395 3.815 0 N-CA-C 103.149 -3.98 . . . . 0.0 103.149 169.132 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.383 0.3 OUTLIER -138.3 47.15 2.0 Favored 'General case' 0 C--N 1.392 2.43 0 CA-C-O 122.705 1.24 . . . . 0.0 107.769 163.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 54.8 mtm -97.48 156.22 36.4 Favored Pre-proline 0 C--N 1.388 2.264 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 168.099 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -68.56 97.33 0.53 Allowed 'Trans proline' 0 C--N 1.39 2.753 0 N-CA-C 107.009 -1.958 . . . . 0.0 107.009 176.43 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -121.63 112.61 2.1 Favored Glycine 0 CA--C 1.568 3.352 0 N-CA-C 104.935 -3.266 . . . . 0.0 104.935 178.59 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -54.47 164.33 3.05 Favored 'Trans proline' 0 C--N 1.388 2.649 0 C-N-CA 121.485 1.457 . . . . 0.0 110.936 173.819 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -81.04 126.4 31.38 Favored 'General case' 0 C--N 1.386 2.178 0 N-CA-C 104.157 -2.534 . . . . 0.0 104.157 177.338 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.2 m -113.72 141.11 47.66 Favored 'General case' 0 C--N 1.393 2.482 0 CA-C-O 122.812 1.292 . . . . 0.0 112.355 -165.045 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 19.4 t -112.9 168.57 9.58 Favored 'General case' 0 C--N 1.383 2.055 0 C-N-CA 124.61 1.164 . . . . 0.0 111.175 178.184 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -133.68 44.55 2.76 Favored 'General case' 0 C--N 1.384 2.078 0 CA-C-O 121.26 0.552 . . . . 0.0 110.775 178.46 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.4 t -142.5 172.57 12.51 Favored 'General case' 0 C--N 1.384 2.094 0 CA-C-O 121.047 0.451 . . . . 0.0 110.681 177.574 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.535 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 26.2 t70 -68.16 103.1 1.47 Allowed 'General case' 0 CA--C 1.587 2.402 0 N-CA-C 105.001 -2.222 . . . . 0.0 105.001 -177.342 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.535 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.276 7.5 mptt 72.54 -63.99 0.41 Allowed 'General case' 0 C--N 1.397 2.652 0 C-N-CA 127.933 2.493 . . . . 0.0 111.99 -179.894 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 31.5 p 53.91 57.67 5.79 Favored 'General case' 0 C--N 1.383 2.062 0 C-N-CA 127.508 2.323 . . . . 0.0 105.658 -173.406 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.413 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 7.0 m120 66.42 91.69 0.08 Allowed 'General case' 0 C--N 1.394 2.52 0 C-N-CA 125.649 1.58 . . . . 0.0 107.01 178.256 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 24.1 tp . . . . . 0 C--N 1.39 2.326 0 CA-C-O 115.453 -2.213 . . . . 0.0 105.626 175.413 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.3 tpp85 . . . . . 1 N--CA 1.541 4.104 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.0 mp -91.04 118.41 36.24 Favored 'Isoleucine or valine' 0 C--N 1.394 2.511 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 -178.187 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -140.49 149.04 42.0 Favored 'General case' 0 C--N 1.389 2.287 0 CA-C-O 122.879 1.323 . . . . 0.0 109.354 174.277 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -68.42 157.79 35.06 Favored 'General case' 0 C--N 1.383 2.048 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -170.261 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -135.16 36.25 3.02 Favored 'General case' 0 C--N 1.39 2.35 0 C-N-CA 119.434 -0.906 . . . . 0.0 108.837 170.25 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.232 22.4 m170 -77.27 -174.15 3.13 Favored 'General case' 0 C--N 1.393 2.486 0 N-CA-C 117.519 2.414 . . . . 0.0 117.519 -163.689 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.8 mt 68.43 -170.34 0.18 Allowed 'General case' 0 C--N 1.387 2.203 0 N-CA-C 114.928 1.455 . . . . 0.0 114.928 172.785 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.74 -52.38 4.2 Favored Glycine 0 C--N 1.387 3.384 0 CA-C-N 114.856 -1.066 . . . . 0.0 111.374 -176.526 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.5 m -160.95 -38.05 0.05 OUTLIER 'General case' 0 C--N 1.377 1.775 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 -175.374 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -117.77 116.18 36.62 Favored Pre-proline 0 CA--C 1.585 2.296 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 -179.245 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_exo -86.23 -11.26 6.36 Favored 'Trans proline' 0 C--N 1.406 3.556 0 N-CA-C 120.645 3.286 . . . . 0.0 120.645 178.739 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -85.74 -16.21 4.62 Favored 'Trans proline' 0 C--N 1.399 3.189 1 N-CA-C 126.052 5.366 . . . . 0.0 126.052 -174.025 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.4 p -94.54 155.57 16.85 Favored 'General case' 0 C--N 1.394 2.504 0 CA-C-N 125.321 3.691 . . . . 0.0 116.455 -173.355 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 73.7 p -132.16 150.73 52.08 Favored 'General case' 0 C--N 1.378 1.818 0 CA-C-N 112.035 -2.348 . . . . 0.0 108.963 178.754 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -98.81 102.54 14.31 Favored 'General case' 0 C--N 1.376 1.741 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 -174.764 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.5 m -73.01 103.51 3.81 Favored 'General case' 0 C--N 1.395 2.581 0 N-CA-C 100.982 -3.71 . . . . 0.0 100.982 169.037 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.1 t -121.33 150.66 41.11 Favored 'General case' 0 C--N 1.388 2.278 0 CA-C-O 124.194 1.95 . . . . 0.0 113.096 -166.721 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -82.34 -17.71 44.72 Favored 'General case' 0 C--N 1.376 1.741 0 CA-C-N 111.893 -2.412 . . . . 0.0 111.291 -179.514 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -71.3 133.89 46.38 Favored 'General case' 0 C--N 1.395 2.574 0 CA-C-N 121.229 1.831 . . . . 0.0 107.429 175.481 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.122 93.8 m-20 -56.14 -35.0 66.63 Favored 'General case' 0 C--N 1.383 2.031 0 C-N-CA 130.946 3.698 . . . . 0.0 114.644 -175.166 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.3 t -131.54 163.99 26.8 Favored 'General case' 0 C--N 1.379 1.863 0 C-N-CA 125.932 1.693 . . . . 0.0 110.509 -174.57 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.6 p -147.81 150.44 34.2 Favored 'General case' 0 C--N 1.395 2.58 0 CA-C-O 123.824 1.773 . . . . 0.0 115.687 -178.594 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -112.29 157.18 21.26 Favored 'General case' 0 C--N 1.388 2.279 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 -164.922 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.578 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 59.7 mmtt -105.66 112.93 26.2 Favored 'General case' 0 C--N 1.384 2.098 0 C-N-CA 126.639 1.976 . . . . 0.0 107.569 178.692 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.447 ' H ' ' HB3' ' A' ' 35' ' ' ARG . 0.8 OUTLIER -115.81 118.81 34.06 Favored 'General case' 0 CA--C 1.583 2.244 0 N-CA-C 102.733 -3.062 . . . . 0.0 102.733 176.988 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.23 1.28 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.398 2.694 0 N-CA-C 117.179 2.289 . . . . 0.0 117.179 -156.131 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.47 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -104.69 -99.47 0.32 Allowed 'General case' 0 CA--C 1.58 2.12 1 C-N-CA 133.766 4.827 . . . . 0.0 106.62 -175.428 . . . . . . . . 4 4 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.429 HG23 HD22 ' A' ' 25' ' ' ASN 0.283 1.1 t 70.61 -179.48 0.23 Allowed 'General case' 0 C--N 1.39 2.335 0 C-N-CA 125.583 1.553 . . . . 0.0 112.116 -179.453 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -72.1 -62.76 1.31 Allowed 'General case' 0 C--N 1.388 2.273 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 174.479 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.44 ' CG ' HH21 ' A' ' 34' ' ' ARG . 3.6 p-10 -64.7 110.69 2.46 Favored 'General case' 0 C--N 1.38 1.925 0 N-CA-C 102.728 -3.064 . . . . 0.0 102.728 170.649 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -68.74 102.47 1.53 Allowed 'General case' 0 C--N 1.396 2.628 0 N-CA-C 105.773 -1.936 . . . . 0.0 105.773 -168.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 tp -171.87 159.87 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.4 2.794 0 C-N-CA 116.078 -2.249 . . . . 0.0 112.95 -162.618 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.1 mt -97.67 118.33 43.97 Favored 'Isoleucine or valine' 0 C--N 1.39 2.339 0 N-CA-C 106.303 -1.739 . . . . 0.0 106.303 176.115 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.463 ' CG ' HH11 ' A' ' 34' ' ' ARG . 0.6 OUTLIER -159.64 84.94 0.76 Allowed 'General case' 0 C--N 1.384 2.08 0 N-CA-C 103.068 -2.938 . . . . 0.0 103.068 -172.971 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.447 ' HB3' ' H ' ' A' ' 25' ' ' ASN 0.25 0.0 OUTLIER -114.09 -165.71 1.03 Allowed 'General case' 0 C--N 1.374 1.642 0 CA-C-N 111.521 -2.581 . . . . 0.0 113.528 -166.406 . . . . . . . . 4 4 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -179.52 -177.36 47.76 Favored Glycine 0 C--N 1.39 3.576 0 C-N-CA 114.255 -3.831 . . . . 0.0 117.875 -178.94 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.1 p -73.16 126.51 30.21 Favored 'General case' 0 C--N 1.388 2.244 0 CA-C-O 122.874 1.321 . . . . 0.0 110.04 178.602 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.82 -82.2 0.05 OUTLIER Glycine 0 C--N 1.393 3.714 0 N-CA-C 105.867 -2.893 . . . . 0.0 105.867 173.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.286 53.9 t 89.08 -81.41 0.01 OUTLIER 'General case' 0 C--N 1.391 2.382 0 CA-C-O 123.408 1.575 . . . . 0.0 109.119 179.82 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -84.98 80.72 9.19 Favored 'General case' 0 CA--C 1.571 1.759 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 -172.313 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.2 t -86.03 135.69 37.05 Favored Pre-proline 0 C--N 1.396 2.626 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.743 -176.356 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -78.45 -172.57 1.54 Allowed 'Trans proline' 0 C--N 1.402 3.345 0 N-CA-C 115.671 1.374 . . . . 0.0 115.671 179.001 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.57 125.4 25.65 Favored 'General case' 0 C--N 1.388 2.261 0 CA-C-N 113.896 -1.502 . . . . 0.0 108.105 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -124.08 172.34 16.55 Favored Glycine 0 C--N 1.389 3.494 0 O-C-N 121.257 -0.902 . . . . 0.0 113.129 176.407 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -112.64 30.53 7.05 Favored 'General case' 0 C--N 1.381 1.942 0 CA-C-O 123.315 1.531 . . . . 0.0 110.082 176.3 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.0 ptp -157.69 146.44 14.53 Favored Pre-proline 0 CA--C 1.582 2.205 0 C-N-CA 127.808 2.443 . . . . 0.0 104.977 173.252 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -53.54 158.6 7.63 Favored 'Trans proline' 0 C--N 1.386 2.528 0 C-N-CA 121.806 1.67 . . . . 0.0 115.889 -178.597 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -102.15 164.72 17.01 Favored Glycine 0 C--N 1.389 3.484 0 CA-C-N 113.851 -1.522 . . . . 0.0 112.899 177.819 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -82.07 171.2 13.02 Favored 'Trans proline' 0 C--N 1.384 2.425 0 C-N-CA 123.87 3.046 . . . . 0.0 110.941 176.211 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -101.41 155.81 17.83 Favored 'General case' 0 C--N 1.386 2.17 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.19 179.454 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 43.4 t -115.88 149.7 38.24 Favored 'General case' 0 C--N 1.394 2.518 0 N-CA-C 118.029 2.603 . . . . 0.0 118.029 -161.781 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.1 t -128.32 152.4 48.19 Favored 'General case' 0 C--N 1.384 2.088 0 C-N-CA 127.806 2.443 . . . . 0.0 107.7 168.613 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.6 68.31 1.24 Allowed 'General case' 0 C--N 1.376 1.736 0 N-CA-C 104.617 -2.364 . . . . 0.0 104.617 176.354 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.3 t -162.17 162.99 28.64 Favored 'General case' 0 C--N 1.38 1.907 0 C-N-CA 117.283 -1.767 . . . . 0.0 110.641 -176.486 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.503 ' OD1' ' NZ ' ' A' ' 56' ' ' LYS . 24.6 t0 -64.0 127.15 30.16 Favored 'General case' 0 CA--C 1.582 2.199 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 175.284 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.503 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 39.2 mmtm 78.71 -89.19 0.02 OUTLIER 'General case' 0 C--N 1.394 2.524 0 C-N-CA 125.211 1.404 . . . . 0.0 112.363 172.038 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.29 21.4 m 84.14 33.78 0.05 OUTLIER 'General case' 0 CA--C 1.597 2.757 0 C-N-CA 126.956 2.102 . . . . 0.0 112.34 -177.552 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 65.45 70.69 0.45 Allowed 'General case' 0 C--N 1.393 2.499 0 C-N-CA 125.71 1.604 . . . . 0.0 109.805 172.619 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.578 ' C ' ' NZ ' ' A' ' 24' ' ' LYS 0.256 0.9 OUTLIER . . . . . 0 CA--C 1.589 2.446 0 C-N-CA 126.844 2.057 . . . . 0.0 106.133 -179.244 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.459 ' H3 ' ' CG ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.534 3.759 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 . . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 69.2 mt -93.23 118.17 38.36 Favored 'Isoleucine or valine' 0 C--N 1.389 2.326 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 177.343 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.6 m -136.06 160.13 39.59 Favored 'General case' 0 C--N 1.381 1.959 0 CA-C-N 115.118 -0.947 . . . . 0.0 108.692 174.07 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -98.05 136.65 37.99 Favored 'General case' 0 C--N 1.389 2.3 0 C-N-CA 118.342 -1.343 . . . . 0.0 110.738 -169.499 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -123.3 51.92 1.43 Allowed 'General case' 0 C--N 1.391 2.377 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 173.756 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.145 3.6 m170 -86.69 -166.56 1.6 Allowed 'General case' 0 C--N 1.381 1.958 0 C-N-CA 126.968 2.107 . . . . 0.0 110.588 173.85 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.349 5.1 mp 75.43 -175.69 0.13 Allowed 'General case' 0 C--N 1.381 1.94 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 169.835 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.93 -41.65 2.5 Favored Glycine 0 C--N 1.387 3.401 0 N-CA-C 108.869 -1.692 . . . . 0.0 108.869 -162.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.2 m -175.98 -41.85 0.01 OUTLIER 'General case' 0 C--N 1.386 2.16 0 C-N-CA 125.844 1.658 . . . . 0.0 106.88 -175.858 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -111.36 109.75 56.21 Favored Pre-proline 0 CA--C 1.593 2.611 0 CA-C-O 117.632 -1.175 . . . . 0.0 109.609 -174.186 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -83.71 7.23 5.32 Favored 'Trans proline' 0 CA--C 1.604 3.981 0 N-CA-C 121.937 3.783 . . . . 0.0 121.937 179.388 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -85.85 -24.5 1.77 Allowed 'Trans proline' 0 C--N 1.404 3.454 1 N-CA-C 125.627 5.203 . . . . 0.0 125.627 -175.36 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.9 p -78.58 141.99 37.66 Favored 'General case' 0 C--N 1.397 2.648 0 CA-C-N 125.001 3.546 . . . . 0.0 113.186 -175.573 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 73.0 p -124.76 147.34 48.72 Favored 'General case' 0 C--N 1.378 1.814 0 CA-C-N 112.237 -2.256 . . . . 0.0 109.172 -177.229 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -118.76 99.61 6.88 Favored 'General case' 0 C--N 1.379 1.869 0 CA-C-N 113.74 -1.573 . . . . 0.0 107.653 -163.13 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 96.8 m -87.56 94.45 9.72 Favored 'General case' 0 C--N 1.387 2.239 0 N-CA-C 103.084 -2.932 . . . . 0.0 103.084 179.199 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.5 t -118.13 152.25 35.99 Favored 'General case' 0 C--N 1.39 2.362 0 CA-C-O 123.332 1.539 . . . . 0.0 113.429 -167.841 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -87.32 -20.57 26.6 Favored 'General case' 0 C--N 1.381 1.938 0 CA-C-N 112.259 -2.246 . . . . 0.0 112.819 -176.112 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -65.12 135.8 55.94 Favored 'General case' 0 C--N 1.397 2.652 0 N-CA-C 105.315 -2.105 . . . . 0.0 105.315 167.841 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.459 ' CG ' ' H3 ' ' A' ' 1' ' ' ARG 2.117 39.1 m-20 -80.01 5.2 14.7 Favored 'General case' 0 C--N 1.386 2.164 0 C-N-CA 127.043 2.137 . . . . 0.0 115.64 -173.452 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.0 t -143.76 130.42 20.2 Favored 'General case' 0 C--N 1.378 1.842 0 N-CA-C 104.244 -2.502 . . . . 0.0 104.244 -177.438 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -125.99 144.02 50.87 Favored 'General case' 0 C--N 1.378 1.806 0 CA-C-O 123.999 1.857 . . . . 0.0 108.317 174.219 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -116.58 165.96 12.65 Favored 'General case' 0 C--N 1.369 1.448 0 CA-C-N 113.298 -1.774 . . . . 0.0 113.145 -168.085 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.413 ' NZ ' ' O ' ' A' ' 58' ' ' ASN . 2.1 tppt? -100.79 115.43 30.3 Favored 'General case' 0 CA--C 1.581 2.157 0 N-CA-C 103.719 -2.697 . . . . 0.0 103.719 178.149 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.9 119.35 35.68 Favored 'General case' 0 C--N 1.382 1.996 0 N-CA-C 101.805 -3.406 . . . . 0.0 101.805 179.609 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.58 -24.3 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.396 2.617 0 N-CA-C 115.938 1.829 . . . . 0.0 115.938 -151.544 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.553 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -73.14 -110.78 0.01 OUTLIER 'General case' 0 CA--C 1.592 2.587 1 C-N-CA 133.027 4.531 . . . . 0.0 106.818 172.505 . . . . . . . . 4 4 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.5 t 75.19 151.59 0.12 Allowed 'General case' 0 C--N 1.397 2.635 0 C-N-CA 125.138 1.375 . . . . 0.0 109.541 -175.891 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -62.19 -54.72 36.95 Favored 'General case' 0 C--N 1.392 2.448 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 178.733 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -67.37 100.73 0.86 Allowed 'General case' 0 C--N 1.382 1.994 0 N-CA-C 102.648 -3.093 . . . . 0.0 102.648 168.381 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -63.15 115.86 4.87 Favored 'General case' 0 C--N 1.402 2.857 0 N-CA-C 106.055 -1.831 . . . . 0.0 106.055 -171.283 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 tp -168.2 155.93 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.394 2.51 0 CA-C-O 121.921 0.867 . . . . 0.0 110.086 -169.217 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 55.8 mt -95.67 111.92 26.99 Favored 'Isoleucine or valine' 0 C--N 1.388 2.265 0 N-CA-C 104.02 -2.585 . . . . 0.0 104.02 170.544 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.3 ttp85 -148.12 104.92 3.59 Favored 'General case' 0 C--N 1.381 1.95 0 N-CA-C 100.668 -3.827 . . . . 0.0 100.668 -177.824 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.35 -178.79 5.91 Favored 'General case' 0 C--N 1.387 2.216 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -157.949 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 174.21 -172.78 45.62 Favored Glycine 0 C--N 1.396 3.913 1 C-N-CA 112.462 -4.685 . . . . 0.0 119.177 -171.842 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.5 p -75.75 113.73 13.55 Favored 'General case' 0 C--N 1.385 2.118 0 CA-C-O 123.791 1.758 . . . . 0.0 109.648 -176.855 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.13 -113.53 0.28 Allowed Glycine 0 C--N 1.389 3.527 0 N-CA-C 104.358 -3.497 . . . . 0.0 104.358 172.205 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.45 3.2 p 66.43 -154.2 0.24 Allowed 'General case' 0 C--N 1.39 2.354 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 173.507 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 68.14 49.48 0.85 Allowed 'General case' 0 C--N 1.388 2.247 0 CA-C-N 113.544 -1.662 . . . . 0.0 106.841 -175.952 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.6 t -125.92 141.73 40.29 Favored Pre-proline 0 C--N 1.395 2.55 0 C-N-CA 124.887 1.275 . . . . 0.0 109.925 -177.901 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -94.02 179.25 0.92 Allowed 'Trans proline' 0 C--N 1.396 3.049 0 C-N-CA 122.153 1.902 . . . . 0.0 110.03 174.717 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.1 82.46 4.18 Favored 'General case' 0 C--N 1.391 2.405 0 N-CA-C 103.817 -2.66 . . . . 0.0 103.817 178.455 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -103.82 26.0 24.71 Favored Glycine 0 C--N 1.389 3.516 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 171.964 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.381 57.1 m-20 72.93 27.1 2.16 Favored 'General case' 0 C--N 1.382 2.0 0 C-N-CA 127.828 2.451 . . . . 0.0 111.887 -176.31 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 48.1 ttm -92.56 135.06 26.94 Favored Pre-proline 0 C--N 1.386 2.153 0 N-CA-C 106.182 -1.784 . . . . 0.0 106.182 168.909 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -82.2 79.31 3.14 Favored 'Trans proline' 0 C--N 1.4 3.25 0 N-CA-C 106.237 -2.255 . . . . 0.0 106.237 178.395 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -91.06 152.44 21.68 Favored Glycine 0 C--N 1.383 3.189 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 177.383 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_exo -54.93 167.46 1.59 Allowed 'Trans proline' 0 C--N 1.382 2.337 0 C-N-CA 122.371 2.047 . . . . 0.0 113.335 169.669 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -83.91 121.14 26.95 Favored 'General case' 0 CA--C 1.578 2.021 0 N-CA-C 102.638 -3.097 . . . . 0.0 102.638 177.125 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.6 m -109.57 134.61 51.72 Favored 'General case' 0 C--N 1.397 2.67 0 O-C-N 120.446 -1.409 . . . . 0.0 110.899 -166.276 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.9 t -126.06 158.57 35.08 Favored 'General case' 0 C--N 1.39 2.362 0 C-N-CA 123.814 0.846 . . . . 0.0 112.88 -172.92 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.18 40.5 3.66 Favored 'General case' 0 C--N 1.38 1.919 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -175.381 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 64.9 m -132.42 160.54 36.08 Favored 'General case' 0 C--N 1.383 2.031 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -173.506 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.501 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 19.8 t0 -70.18 132.66 46.12 Favored 'General case' 0 C--N 1.398 2.699 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 174.506 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.501 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.263 36.6 mmtm 73.91 -67.65 0.25 Allowed 'General case' 0 C--N 1.391 2.372 0 C-N-CA 126.432 1.893 . . . . 0.0 106.853 -177.563 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.284 48.6 t 79.61 58.36 0.02 OUTLIER 'General case' 0 C--N 1.376 1.738 0 C-N-CA 126.874 2.07 . . . . 0.0 107.392 178.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.413 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 7.1 m120 65.65 66.25 0.52 Allowed 'General case' 0 C--N 1.392 2.431 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 162.649 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.588 2.416 0 N-CA-C 103.717 -2.697 . . . . 0.0 103.717 -175.485 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.465 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 40.0 mtt85 . . . . . 0 N--CA 1.536 3.846 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -94.78 120.9 44.85 Favored 'Isoleucine or valine' 0 C--N 1.39 2.349 0 CA-C-O 122.451 1.12 . . . . 0.0 109.155 -172.396 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.7 m -141.31 143.36 34.01 Favored 'General case' 0 CA--C 1.595 2.702 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 176.156 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -93.12 150.22 20.67 Favored 'General case' 0 C--N 1.404 2.954 0 N-CA-C 116.351 1.982 . . . . 0.0 116.351 -160.331 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -118.55 20.87 12.84 Favored 'General case' 0 C--N 1.392 2.434 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 177.071 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.151 7.5 m170 -77.4 -153.83 0.06 Allowed 'General case' 0 C--N 1.382 1.995 0 C-N-CA 126.377 1.871 . . . . 0.0 110.721 -178.25 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.421 ' H ' ' HA ' ' A' ' 11' ' ' PRO 0.328 2.7 mp 67.81 -166.15 0.2 Allowed 'General case' 0 C--N 1.379 1.887 0 CA-C-O 122.091 0.948 . . . . 0.0 111.122 172.809 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.442 ' H ' HG12 ' A' ' 32' ' ' ILE . . . 89.37 -59.81 3.74 Favored Glycine 0 C--N 1.381 3.047 0 N-CA-C 105.549 -3.021 . . . . 0.0 105.549 -166.096 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 92.4 m -155.02 -38.03 0.09 Allowed 'General case' 0 C--N 1.381 1.965 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 170.652 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -100.68 110.19 59.82 Favored Pre-proline 0 CA--C 1.588 2.405 0 C-N-CA 124.425 1.09 . . . . 0.0 109.367 -172.626 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.421 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 61.2 Cg_endo -84.83 7.74 5.01 Favored 'Trans proline' 0 CA--C 1.595 3.552 0 N-CA-C 118.785 2.571 . . . . 0.0 118.785 179.726 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -78.74 -25.1 6.69 Favored 'Trans proline' 0 C--N 1.403 3.433 1 N-CA-C 124.681 4.839 . . . . 0.0 124.681 -175.409 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.7 p -97.0 139.03 33.63 Favored 'General case' 0 C--N 1.394 2.514 0 CA-C-N 124.893 3.497 . . . . 0.0 113.032 -175.424 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 72.4 p -125.33 146.33 49.62 Favored 'General case' 0 C--N 1.38 1.912 0 CA-C-N 113.612 -1.631 . . . . 0.0 109.837 -179.051 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -87.91 98.89 11.74 Favored 'General case' 0 C--N 1.386 2.177 0 N-CA-C 105.449 -2.056 . . . . 0.0 105.449 -176.689 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.6 m -78.6 101.95 7.7 Favored 'General case' 0 C--N 1.392 2.425 0 N-CA-C 101.657 -3.46 . . . . 0.0 101.657 172.739 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 12.2 t -127.02 150.02 49.63 Favored 'General case' 0 C--N 1.392 2.421 0 CA-C-O 123.887 1.803 . . . . 0.0 114.505 -166.056 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -89.34 -15.12 34.13 Favored 'General case' 0 C--N 1.38 1.928 0 CA-C-N 111.898 -2.41 . . . . 0.0 111.99 -179.547 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -70.31 114.78 8.78 Favored 'General case' 0 C--N 1.393 2.457 0 N-CA-C 103.757 -2.682 . . . . 0.0 103.757 175.034 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.465 ' OD2' ' N ' ' A' ' 1' ' ' ARG 2.188 50.0 m-20 -58.83 -6.37 0.76 Allowed 'General case' 0 C--N 1.386 2.176 0 C-N-CA 129.366 3.066 . . . . 0.0 116.251 -174.26 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.6 t -135.37 145.25 47.17 Favored 'General case' 0 C--N 1.378 1.807 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 176.295 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.5 p -132.04 160.03 37.09 Favored 'General case' 0 C--N 1.382 2.018 0 CA-C-O 122.282 1.039 . . . . 0.0 111.755 176.633 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -124.89 140.4 52.96 Favored 'General case' 0 C--N 1.376 1.736 0 CA-C-N 114.183 -1.371 . . . . 0.0 112.01 -167.694 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.515 ' NZ ' ' O ' ' A' ' 58' ' ' ASN . 8.1 mtmt -103.13 112.63 25.58 Favored 'General case' 0 C--N 1.388 2.246 0 N-CA-C 104.6 -2.37 . . . . 0.0 104.6 -177.639 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -114.31 114.69 26.27 Favored 'General case' 0 CA--C 1.576 1.96 0 N-CA-C 102.899 -3.0 . . . . 0.0 102.899 -175.881 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -122.32 -2.84 7.67 Favored 'Isoleucine or valine' 0 C--N 1.393 2.463 0 N-CA-C 116.01 1.856 . . . . 0.0 116.01 -154.685 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.509 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -100.88 -94.59 0.28 Allowed 'General case' 0 CA--C 1.578 2.033 1 C-N-CA 133.812 4.845 . . . . 0.0 104.13 -176.461 . . . . . . . . 4 4 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.255 14.5 t 74.72 -17.61 0.47 Allowed 'General case' 0 C--N 1.39 2.337 0 C-N-CA 125.818 1.647 . . . . 0.0 112.127 178.006 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . 0.318 97.6 m-85 88.88 -37.32 0.02 OUTLIER 'General case' 0 C--N 1.39 2.345 0 C-N-CA 127.941 2.496 . . . . 0.0 110.846 -178.234 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -73.47 -7.1 50.35 Favored 'General case' 0 CA--C 1.58 2.13 0 CA-C-N 119.491 1.041 . . . . 0.0 110.993 172.443 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.8 t30 75.13 78.32 0.11 Allowed 'General case' 0 C--N 1.394 2.537 0 C-N-CA 127.747 2.419 . . . . 0.0 106.32 177.791 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.442 HG12 ' H ' ' A' ' 8' ' ' GLY . 6.8 tp -164.49 159.35 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.395 2.551 0 C-N-CA 117.658 -1.617 . . . . 0.0 114.037 -177.257 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 83.6 mt -94.13 90.63 2.87 Favored 'Isoleucine or valine' 0 C--N 1.387 2.206 0 N-CA-C 103.802 -2.666 . . . . 0.0 103.802 170.416 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.1 103.14 6.11 Favored 'General case' 0 C--N 1.387 2.219 0 N-CA-C 101.423 -3.547 . . . . 0.0 101.423 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.61 -167.34 2.4 Favored 'General case' 0 C--N 1.387 2.204 0 CA-C-N 114.225 -1.352 . . . . 0.0 114.483 -160.353 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -175.32 -167.13 34.03 Favored Glycine 0 C--N 1.389 3.494 0 C-N-CA 114.64 -3.648 . . . . 0.0 116.261 -174.466 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.5 p -102.07 127.92 48.76 Favored 'General case' 0 C--N 1.382 2.011 0 CA-C-O 122.795 1.283 . . . . 0.0 112.736 -175.054 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.05 -89.51 0.07 OUTLIER Glycine 0 C--N 1.394 3.796 0 N-CA-C 106.102 -2.799 . . . . 0.0 106.102 174.009 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.33 42.0 t 80.28 -44.61 0.26 Allowed 'General case' 0 C--N 1.388 2.254 0 C-N-CA 124.033 0.933 . . . . 0.0 111.402 179.877 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -89.19 61.18 5.66 Favored 'General case' 0 C--N 1.385 2.125 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -167.874 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.2 t -118.41 121.87 30.67 Favored Pre-proline 0 C--N 1.39 2.337 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -179.034 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -68.08 -178.15 1.61 Allowed 'Trans proline' 0 C--N 1.399 3.224 0 C-N-CA 121.053 1.168 . . . . 0.0 113.436 169.362 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.4 ttp85 80.24 115.08 0.06 Allowed 'General case' 0 C--N 1.391 2.4 0 C-N-CA 125.654 1.582 . . . . 0.0 107.989 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -116.02 47.24 1.06 Allowed Glycine 0 C--N 1.396 3.907 0 CA-C-O 118.081 -1.399 . . . . 0.0 113.65 -178.397 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 57.6 p30 -102.89 24.57 10.49 Favored 'General case' 0 C--N 1.383 2.042 0 CA-C-N 119.167 1.484 . . . . 0.0 113.493 178.899 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.8 ptp 148.21 139.65 0.0 OUTLIER Pre-proline 0 CA--C 1.579 2.072 0 C-N-CA 131.568 3.947 . . . . 0.0 104.22 -173.192 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -70.46 167.66 24.72 Favored 'Trans proline' 0 C--N 1.393 2.872 0 N-CA-C 114.933 1.09 . . . . 0.0 114.933 -176.122 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -98.24 82.62 0.64 Allowed Glycine 0 C--N 1.385 3.27 0 N-CA-C 103.761 -3.735 . . . . 0.0 103.761 177.353 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . 0.33 2.6 Cg_exo 43.75 -159.27 0.0 OUTLIER 'Trans proline' 1 C--N 1.443 5.524 0 O-C-N 123.973 1.512 . . . . 0.0 110.825 -165.93 . . . . . . . . 3 2 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -125.25 140.09 53.15 Favored 'General case' 0 CA--C 1.569 1.692 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 175.481 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.2 m -118.78 159.53 23.53 Favored 'General case' 0 C--N 1.395 2.555 0 N-CA-C 117.988 2.588 . . . . 0.0 117.988 -159.356 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.7 t -136.71 159.24 42.42 Favored 'General case' 0 C--N 1.38 1.912 0 CA-C-N 112.491 -2.141 . . . . 0.0 111.042 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -122.88 59.86 1.05 Allowed 'General case' 0 C--N 1.382 2.017 0 N-CA-C 105.704 -1.961 . . . . 0.0 105.704 171.813 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.6 m -162.11 170.08 19.78 Favored 'General case' 0 C--N 1.39 2.338 0 CA-C-O 122.016 0.912 . . . . 0.0 112.396 -175.459 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.455 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 24.5 t0 -80.02 126.94 31.69 Favored 'General case' 0 C--N 1.385 2.122 0 CA-C-N 114.477 -1.238 . . . . 0.0 108.199 -177.544 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.455 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 35.8 mmtm 76.66 -67.98 0.2 Allowed 'General case' 0 C--N 1.391 2.411 0 C-N-CA 125.852 1.661 . . . . 0.0 109.809 176.007 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 80.9 m 73.67 54.67 0.11 Allowed 'General case' 0 C--N 1.383 2.048 0 C-N-CA 126.056 1.742 . . . . 0.0 109.123 179.102 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.515 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 23.9 t-20 63.68 71.14 0.5 Allowed 'General case' 0 C--N 1.389 2.293 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 175.731 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.0 tp . . . . . 0 CA--C 1.584 2.262 0 N-CA-C 104.761 -2.311 . . . . 0.0 104.761 -177.669 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.429 ' H3 ' ' CG ' ' A' ' 20' ' ' ASP . 0.2 OUTLIER . . . . . 1 N--CA 1.546 4.348 0 N-CA-C 111.478 0.177 . . . . 0.0 111.478 . . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.1 mt -75.19 127.54 36.8 Favored 'Isoleucine or valine' 0 C--N 1.403 2.904 0 CA-C-O 122.536 1.16 . . . . 0.0 109.101 -174.026 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.3 m -136.66 174.16 10.92 Favored 'General case' 0 C--N 1.387 2.214 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.823 169.127 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -106.22 159.08 16.38 Favored 'General case' 0 C--N 1.38 1.895 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -175.881 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -153.89 57.53 0.73 Allowed 'General case' 0 C--N 1.387 2.227 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 176.188 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.211 20.9 m170 -98.31 -168.14 1.61 Allowed 'General case' 0 C--N 1.388 2.259 0 C-N-CA 125.849 1.66 . . . . 0.0 114.317 -179.362 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.9 mt 64.7 -172.42 0.18 Allowed 'General case' 0 C--N 1.383 2.063 0 C-N-CA 125.078 1.351 . . . . 0.0 114.579 176.888 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 64.9 46.29 89.89 Favored Glycine 0 C--N 1.386 3.354 0 CA-C-O 116.897 -2.057 . . . . 0.0 111.629 -179.682 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 45.9 m 109.75 -37.7 0.01 OUTLIER 'General case' 0 C--N 1.394 2.527 0 C-N-CA 129.963 3.305 . . . . 0.0 110.896 176.634 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.37 128.27 24.06 Favored Pre-proline 0 CA--C 1.588 2.432 0 C-N-CA 124.936 1.294 . . . . 0.0 109.897 -174.379 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -99.08 -3.63 0.79 Allowed 'Trans proline' 0 C--N 1.413 3.944 0 N-CA-C 122.021 3.816 . . . . 0.0 122.021 176.769 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -80.25 -14.92 11.71 Favored 'Trans proline' 0 C--N 1.396 3.071 1 N-CA-C 125.634 5.205 . . . . 0.0 125.634 -172.491 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.1 p -90.68 126.19 35.9 Favored 'General case' 0 C--N 1.386 2.158 0 CA-C-N 123.698 2.954 . . . . 0.0 114.668 -173.694 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 65.8 p -134.19 144.34 48.42 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 131.31 3.844 . . . . 0.0 104.53 171.008 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -158.69 135.89 9.91 Favored 'General case' 0 C--N 1.387 2.226 0 C-N-CA 115.28 -2.568 . . . . 0.0 114.307 -168.953 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.7 m -67.27 112.46 4.54 Favored 'General case' 0 C--N 1.395 2.551 0 N-CA-C 104.102 -2.555 . . . . 0.0 104.102 172.408 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 t -115.57 143.24 45.62 Favored 'General case' 0 C--N 1.392 2.422 0 CA-C-O 123.022 1.392 . . . . 0.0 109.762 -172.557 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -80.72 -28.3 36.65 Favored 'General case' 0 C--N 1.386 2.19 0 CA-C-N 114.379 -1.282 . . . . 0.0 112.725 -173.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -58.57 136.78 57.68 Favored 'General case' 0 C--N 1.394 2.527 0 CA-C-N 121.1 1.773 . . . . 0.0 106.957 175.927 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.429 ' CG ' ' H3 ' ' A' ' 1' ' ' ARG 2.18 65.5 m-20 -72.7 8.41 1.49 Allowed 'General case' 0 C--N 1.385 2.151 0 C-N-CA 129.015 2.926 . . . . 0.0 115.362 -176.834 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.3 m -161.7 151.24 16.39 Favored 'General case' 0 C--N 1.376 1.738 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 -178.316 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.4 p -149.21 153.1 37.12 Favored 'General case' 0 C--N 1.385 2.11 0 C-N-CA 117.192 -1.803 . . . . 0.0 112.894 -179.456 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -122.11 157.25 31.88 Favored 'General case' 0 C--N 1.38 1.902 0 CA-C-N 112.483 -2.144 . . . . 0.0 114.288 -162.511 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.54 ' HZ1' ' C ' ' A' ' 59' ' ' LEU . 56.3 mmtt -106.21 111.23 23.74 Favored 'General case' 0 C--N 1.38 1.903 0 N-CA-C 105.502 -2.036 . . . . 0.0 105.502 -171.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.482 ' HA ' ' HE1' ' A' ' 27' ' ' TRP . 0.2 OUTLIER -114.44 101.82 9.5 Favored 'General case' 0 C--N 1.379 1.848 1 N-CA-C 99.942 -4.096 . . . . 0.0 99.942 -175.772 . . . . . . . . 4 4 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.79 45.72 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.386 2.173 0 CA-C-O 123.698 1.713 . . . . 0.0 109.922 -165.269 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.482 ' HE1' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -173.22 -93.21 0.01 OUTLIER 'General case' 0 CA--C 1.585 2.29 0 CA-C-N 112.579 -2.101 . . . . 0.0 105.618 -164.399 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.3 12.1 t 83.26 -103.87 0.01 OUTLIER 'General case' 0 CA--C 1.592 2.564 0 N-CA-C 106.162 -1.792 . . . . 0.0 106.162 175.334 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -146.25 -24.31 0.44 Allowed 'General case' 0 C--N 1.387 2.238 0 O-C-N 121.076 -1.015 . . . . 0.0 108.424 173.761 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -87.34 -10.52 51.98 Favored 'General case' 0 C--N 1.382 2.011 0 C-N-CA 129.137 2.975 . . . . 0.0 113.227 177.335 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 74.29 64.39 0.08 Allowed 'General case' 0 C--N 1.391 2.375 0 N-CA-C 105.575 -2.009 . . . . 0.0 105.575 -179.846 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 tp -149.54 161.18 4.84 Favored 'Isoleucine or valine' 0 C--N 1.393 2.498 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -170.873 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -96.35 110.35 24.49 Favored 'Isoleucine or valine' 0 C--N 1.391 2.376 0 N-CA-C 104.75 -2.315 . . . . 0.0 104.75 175.058 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.51 90.01 0.92 Allowed 'General case' 0 C--N 1.389 2.288 0 N-CA-C 102.999 -2.963 . . . . 0.0 102.999 -175.407 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.31 -171.55 2.28 Favored 'General case' 0 C--N 1.376 1.758 0 CA-C-N 111.866 -2.424 . . . . 0.0 115.061 -159.983 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -174.5 -179.26 44.99 Favored Glycine 0 C--N 1.398 3.993 1 C-N-CA 112.824 -4.512 . . . . 0.0 120.099 -170.544 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.3 m -81.6 115.29 20.81 Favored 'General case' 0 C--N 1.386 2.18 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 -178.734 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -162.69 -97.51 0.12 Allowed Glycine 0 C--N 1.39 3.543 0 N-CA-C 105.113 -3.195 . . . . 0.0 105.113 178.573 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.359 9.7 t 84.27 -40.97 0.07 Allowed 'General case' 0 C--N 1.386 2.173 0 CA-C-O 121.586 0.708 . . . . 0.0 112.156 177.66 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -96.98 76.18 2.69 Favored 'General case' 0 CA--C 1.584 2.263 0 N-CA-C 105.648 -1.982 . . . . 0.0 105.648 -170.513 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.1 p -89.71 125.26 61.69 Favored Pre-proline 0 C--N 1.398 2.69 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 178.741 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -87.6 170.7 6.44 Favored 'Trans proline' 0 C--N 1.398 3.17 0 C-N-CA 120.975 1.116 . . . . 0.0 114.665 -174.661 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.46 87.41 7.39 Favored 'General case' 0 C--N 1.392 2.434 0 N-CA-C 105.559 -2.015 . . . . 0.0 105.559 -179.735 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -136.16 21.39 3.49 Favored Glycine 0 C--N 1.387 3.393 0 CA-C-N 114.511 -1.222 . . . . 0.0 110.973 172.204 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 65.83 40.21 4.34 Favored 'General case' 0 C--N 1.388 2.245 0 C-N-CA 125.895 1.678 . . . . 0.0 110.388 179.227 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 74.8 mtm -117.34 105.37 48.7 Favored Pre-proline 0 C--N 1.384 2.09 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 -175.858 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -64.78 123.34 11.51 Favored 'Trans proline' 0 C--N 1.397 3.087 0 N-CA-C 108.406 -1.421 . . . . 0.0 108.406 177.964 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -109.73 167.56 12.85 Favored Glycine 0 C--N 1.391 3.586 0 O-C-N 120.809 -1.182 . . . . 0.0 114.281 179.111 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -50.52 159.6 2.06 Favored 'Trans proline' 0 C--N 1.387 2.604 0 C-N-CA 122.936 2.424 . . . . 0.0 113.882 168.559 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 23.0 p90 -87.78 151.05 23.18 Favored 'General case' 0 C--N 1.382 1.981 0 CA-C-N 114.582 -1.19 . . . . 0.0 109.319 178.157 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.5 p -155.83 168.09 28.32 Favored 'General case' 0 C--N 1.403 2.917 0 N-CA-C 120.28 3.437 . . . . 0.0 120.28 -165.672 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 16.1 t -141.59 -174.89 4.18 Favored 'General case' 0 C--N 1.385 2.125 0 CA-C-N 112.075 -2.329 . . . . 0.0 113.29 -173.19 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -144.68 27.98 1.32 Allowed 'General case' 0 C--N 1.387 2.23 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -178.469 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.3 t -109.88 174.67 5.76 Favored 'General case' 0 C--N 1.378 1.84 0 C-N-CA 123.882 0.873 . . . . 0.0 112.382 -179.162 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.478 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 27.0 t70 -66.87 115.14 6.3 Favored 'General case' 0 C--N 1.391 2.409 0 N-CA-C 104.992 -2.225 . . . . 0.0 104.992 174.659 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.478 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 36.4 mmtm 72.14 -59.64 0.55 Allowed 'General case' 0 C--N 1.392 2.431 0 C-N-CA 127.176 2.19 . . . . 0.0 110.474 -178.523 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 23.8 t 70.18 50.35 0.43 Allowed 'General case' 0 C--N 1.382 1.98 0 C-N-CA 128.528 2.731 . . . . 0.0 107.125 -177.089 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 20.3 t30 62.47 87.25 0.1 Allowed 'General case' 0 C--N 1.389 2.292 0 C-N-CA 126.52 1.928 . . . . 0.0 106.243 -177.597 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.54 ' C ' ' HZ1' ' A' ' 24' ' ' LYS . 2.2 tt . . . . . 0 CA--C 1.589 2.46 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 176.154 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.2 tpp85 . . . . . 0 N--CA 1.539 3.976 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 30.4 mt -97.34 121.32 47.74 Favored 'Isoleucine or valine' 0 C--N 1.394 2.519 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 -175.127 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.5 m -137.05 151.02 48.45 Favored 'General case' 0 C--N 1.388 2.275 0 CA-C-O 122.819 1.295 . . . . 0.0 108.611 171.749 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -67.35 152.95 44.8 Favored 'General case' 0 C--N 1.382 2.007 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.999 -171.775 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -130.26 32.92 4.4 Favored 'General case' 0 C--N 1.387 2.223 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 169.934 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.194 21.3 m170 -77.83 -178.0 5.2 Favored 'General case' 0 C--N 1.389 2.321 0 C-N-CA 127.196 2.199 . . . . 0.0 115.086 -170.934 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.7 mt 72.11 -170.11 0.14 Allowed 'General case' 0 C--N 1.382 1.992 0 C-N-CA 126.069 1.747 . . . . 0.0 114.084 173.462 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.96 53.13 47.68 Favored Glycine 0 C--N 1.382 3.136 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 -179.039 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.1 m 107.21 -36.65 0.01 OUTLIER 'General case' 0 C--N 1.392 2.438 0 C-N-CA 130.482 3.513 . . . . 0.0 110.188 176.988 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.6 mmtt -130.93 107.43 15.23 Favored Pre-proline 0 C--N 1.385 2.13 0 CA-C-N 118.368 0.531 . . . . 0.0 109.648 -173.86 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -82.11 2.56 8.45 Favored 'Trans proline' 0 CA--C 1.594 3.49 1 N-CA-C 124.205 4.656 . . . . 0.0 124.205 179.85 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -101.29 -23.58 0.05 OUTLIER 'Trans proline' 0 C--N 1.399 3.219 1 N-CA-C 123.321 4.316 . . . . 0.0 123.321 -172.46 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.3 p -78.93 156.38 28.59 Favored 'General case' 0 C--N 1.393 2.477 0 CA-C-N 123.167 2.712 . . . . 0.0 115.825 -172.624 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.3 p -138.02 149.59 46.2 Favored 'General case' 0 C--N 1.378 1.811 0 CA-C-N 112.271 -2.24 . . . . 0.0 108.821 -179.825 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -111.2 111.31 22.3 Favored 'General case' 0 C--N 1.384 2.106 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -171.875 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.6 m -81.95 98.98 8.83 Favored 'General case' 0 C--N 1.391 2.404 0 N-CA-C 102.867 -3.012 . . . . 0.0 102.867 172.21 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.3 t -118.55 159.88 22.77 Favored 'General case' 0 C--N 1.387 2.218 0 CA-C-O 123.682 1.706 . . . . 0.0 112.55 -171.503 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -80.08 1.57 27.36 Favored 'General case' 0 C--N 1.377 1.802 0 CA-C-N 112.653 -2.067 . . . . 0.0 112.249 -174.346 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -89.96 126.45 35.74 Favored 'General case' 0 C--N 1.388 2.275 0 CA-C-N 120.689 1.586 . . . . 0.0 107.781 -177.522 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.088 6.5 m-20 -53.03 -14.99 0.68 Allowed 'General case' 0 CA--C 1.587 2.372 0 C-N-CA 129.943 3.297 . . . . 0.0 113.955 179.596 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.0 p -156.06 163.93 39.06 Favored 'General case' 0 C--N 1.381 1.935 0 C-N-CA 125.253 1.421 . . . . 0.0 108.714 -177.702 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.9 p -140.06 172.2 13.1 Favored 'General case' 0 C--N 1.387 2.202 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 -177.843 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.9 p90 -128.69 152.08 48.8 Favored 'General case' 0 C--N 1.381 1.966 0 CA-C-O 124.697 2.189 . . . . 0.0 114.235 -171.909 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.551 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 47.8 mmtt -107.49 112.16 24.79 Favored 'General case' 0 C--N 1.38 1.896 0 CA-C-N 110.832 -2.895 . . . . 0.0 104.38 -179.18 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.525 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 2.3 t30 -114.13 121.38 43.61 Favored 'General case' 0 CA--C 1.579 2.069 0 N-CA-C 102.586 -3.116 . . . . 0.0 102.586 -178.412 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -128.08 -3.72 3.81 Favored 'Isoleucine or valine' 0 C--N 1.401 2.822 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 -151.194 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.525 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -100.12 -102.07 0.24 Allowed 'General case' 0 CA--C 1.582 2.176 1 C-N-CA 132.729 4.412 . . . . 0.0 106.18 -173.765 . . . . . . . . 4 4 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.314 14.9 t 88.14 -51.46 0.04 OUTLIER 'General case' 0 C--N 1.392 2.434 0 C-N-CA 126.881 2.072 . . . . 0.0 110.843 177.594 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 55.8 t80 126.82 -60.56 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.398 0 C-N-CA 127.939 2.495 . . . . 0.0 104.296 -179.349 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -53.95 112.14 0.89 Allowed 'General case' 0 C--N 1.396 2.604 0 N-CA-C 101.468 -3.53 . . . . 0.0 101.468 153.189 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -73.16 107.06 5.29 Favored 'General case' 0 C--N 1.4 2.798 0 N-CA-C 105.6 -2.0 . . . . 0.0 105.6 -169.643 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 tp -164.98 162.74 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.399 2.752 0 C-N-CA 118.01 -1.476 . . . . 0.0 113.402 -168.388 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 26.1 mm -99.9 100.67 10.88 Favored 'Isoleucine or valine' 0 C--N 1.388 2.26 0 N-CA-C 106.121 -1.807 . . . . 0.0 106.121 178.208 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.01 123.75 21.17 Favored 'General case' 0 C--N 1.383 2.048 0 N-CA-C 103.187 -2.894 . . . . 0.0 103.187 -179.681 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 3.8 ptt-85 -166.01 -168.13 1.2 Allowed 'General case' 0 C--N 1.391 2.379 0 C-N-CA 118.06 -1.456 . . . . 0.0 112.312 -151.54 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 175.19 -169.32 42.16 Favored Glycine 0 C--N 1.393 3.717 0 C-N-CA 113.987 -3.959 . . . . 0.0 117.557 -175.29 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.1 p -80.21 124.69 29.02 Favored 'General case' 0 C--N 1.385 2.12 0 CA-C-N 113.899 -1.15 . . . . 0.0 111.465 -175.943 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.58 -91.81 0.08 OUTLIER Glycine 0 C--N 1.398 3.99 0 C-N-CA 117.302 -2.38 . . . . 0.0 107.822 175.942 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.318 35.9 t 83.6 -59.28 0.13 Allowed 'General case' 0 C--N 1.384 2.1 0 CA-C-O 122.259 1.028 . . . . 0.0 109.089 -175.917 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.35 74.35 8.66 Favored 'General case' 0 C--N 1.383 2.047 0 N-CA-C 104.721 -2.325 . . . . 0.0 104.721 -172.678 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.9 t -90.57 142.75 28.28 Favored Pre-proline 0 C--N 1.388 2.258 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -61.43 172.99 2.94 Favored 'Trans proline' 0 C--N 1.396 3.051 0 C-N-CA 120.924 1.083 . . . . 0.0 114.18 173.471 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.19 103.81 14.5 Favored 'General case' 0 C--N 1.383 2.05 0 CA-C-N 114.258 -1.337 . . . . 0.0 108.716 -177.571 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -108.75 163.34 12.69 Favored Glycine 0 C--N 1.39 3.536 0 O-C-N 121.363 -0.835 . . . . 0.0 113.28 175.735 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -98.76 44.2 1.04 Allowed 'General case' 0 C--N 1.381 1.974 0 CA-C-O 123.52 1.628 . . . . 0.0 107.351 177.571 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 44.0 ttp -163.69 122.22 1.27 Allowed Pre-proline 0 C--N 1.378 1.828 0 N-CA-C 103.141 -2.911 . . . . 0.0 103.141 177.007 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -50.7 136.69 42.27 Favored 'Trans proline' 0 C--N 1.393 2.914 0 C-N-CA 121.778 1.652 . . . . 0.0 112.807 -177.832 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -78.76 171.65 55.14 Favored Glycine 0 C--N 1.389 3.488 0 C-N-CA 119.093 -1.527 . . . . 0.0 110.487 175.845 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -57.99 158.32 21.72 Favored 'Trans proline' 0 C--N 1.382 2.309 0 CA-C-O 122.651 1.021 . . . . 0.0 113.974 176.154 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . 0.255 0.5 OUTLIER -82.92 144.68 29.87 Favored 'General case' 0 C--N 1.385 2.141 0 CA-C-N 114.059 -1.428 . . . . 0.0 110.159 -178.312 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.429 ' SG ' ' N ' ' A' ' 52' ' ' CYS . 36.1 t -118.97 155.99 30.37 Favored 'General case' 0 C--N 1.395 2.581 0 N-CA-C 118.864 2.912 . . . . 0.0 118.864 -164.499 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.429 ' N ' ' SG ' ' A' ' 51' ' ' CYS . 5.2 t -142.06 160.46 40.18 Favored 'General case' 0 C--N 1.388 2.266 0 C-N-CA 127.904 2.482 . . . . 0.0 111.115 177.162 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -125.1 62.75 1.16 Allowed 'General case' 0 C--N 1.391 2.395 0 CA-C-N 119.371 0.987 . . . . 0.0 109.074 -179.659 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.17 167.73 28.32 Favored 'General case' 0 C--N 1.385 2.152 0 C-N-CA 118.413 -1.315 . . . . 0.0 111.5 177.935 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.513 ' CG ' ' HZ2' ' A' ' 56' ' ' LYS . 39.6 t0 -68.04 118.85 11.76 Favored 'General case' 0 C--N 1.385 2.137 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 174.605 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.513 ' HZ2' ' CG ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER 71.59 -54.8 0.67 Allowed 'General case' 0 C--N 1.398 2.705 0 C-N-CA 127.336 2.254 . . . . 0.0 113.956 -177.772 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 92.5 m 56.43 59.37 3.66 Favored 'General case' 0 CA--C 1.581 2.137 0 N-CA-C 104.552 -2.388 . . . . 0.0 104.552 -163.213 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 74.7 -64.78 0.37 Allowed 'General case' 0 C--N 1.39 2.358 0 C-N-CA 131.267 3.827 . . . . 0.0 112.326 174.583 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.551 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 25.7 tp . . . . . 0 CA--C 1.58 2.118 0 N-CA-C 101.998 -3.334 . . . . 0.0 101.998 -171.095 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.0 tpp85 . . . . . 0 N--CA 1.535 3.802 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.6 mp -102.49 128.71 54.97 Favored 'Isoleucine or valine' 0 C--N 1.39 2.328 0 CA-C-O 123.183 1.468 . . . . 0.0 109.77 -174.948 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.0 p -152.44 153.47 33.6 Favored 'General case' 0 C--N 1.383 2.028 0 CA-C-N 114.826 -1.079 . . . . 0.0 108.948 175.63 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -77.62 176.09 9.28 Favored 'General case' 0 C--N 1.39 2.359 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 -165.141 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -152.99 52.17 0.75 Allowed 'General case' 0 C--N 1.386 2.182 0 N-CA-C 103.097 -2.927 . . . . 0.0 103.097 168.738 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.191 8.4 m170 -104.05 -147.59 0.39 Allowed 'General case' 0 C--N 1.389 2.285 0 C-N-CA 126.656 1.982 . . . . 0.0 110.489 -175.327 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.358 5.6 mp 62.73 -170.8 0.17 Allowed 'General case' 0 C--N 1.387 2.212 0 CA-C-O 123.008 1.385 . . . . 0.0 112.762 173.45 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.3 -80.62 1.81 Allowed Glycine 0 C--N 1.383 3.184 0 N-CA-C 105.11 -3.196 . . . . 0.0 105.11 -167.738 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 87.0 m -140.98 -32.95 0.54 Allowed 'General case' 0 C--N 1.378 1.842 0 CA-C-N 114.24 -0.98 . . . . 0.0 111.108 -179.569 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -107.77 115.81 58.38 Favored Pre-proline 0 CA--C 1.58 2.107 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 -175.273 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -87.51 -16.58 3.06 Favored 'Trans proline' 0 C--N 1.404 3.466 0 N-CA-C 122.0 3.808 . . . . 0.0 122.0 -175.927 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -77.24 -21.01 12.25 Favored 'Trans proline' 0 C--N 1.395 2.994 1 N-CA-C 125.83 5.281 . . . . 0.0 125.83 -171.839 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.5 p -77.84 141.09 39.37 Favored 'General case' 0 C--N 1.394 2.53 0 CA-C-N 125.054 3.57 . . . . 0.0 113.209 -174.338 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.3 p -129.68 144.49 51.31 Favored 'General case' 0 C--N 1.381 1.959 0 CA-C-N 112.947 -1.933 . . . . 0.0 109.216 -176.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -109.74 106.01 15.48 Favored 'General case' 0 C--N 1.381 1.961 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 -174.736 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 67.7 m -87.57 107.29 18.52 Favored 'General case' 0 C--N 1.386 2.17 0 N-CA-C 102.777 -3.045 . . . . 0.0 102.777 177.512 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -119.26 145.82 45.76 Favored 'General case' 0 C--N 1.393 2.489 0 CA-C-O 122.987 1.375 . . . . 0.0 113.123 -168.714 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.2 mp0 -89.29 52.41 2.37 Favored 'General case' 0 C--N 1.386 2.155 0 CA-C-N 113.42 -1.718 . . . . 0.0 106.5 177.519 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -149.58 129.09 13.05 Favored 'General case' 0 C--N 1.379 1.872 0 N-CA-C 105.192 -2.151 . . . . 0.0 105.192 -179.854 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.129 45.8 m-20 -41.64 -47.94 4.0 Favored 'General case' 0 C--N 1.381 1.942 0 C-N-CA 126.679 1.992 . . . . 0.0 110.739 -179.132 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.5 m -124.78 164.97 18.85 Favored 'General case' 0 C--N 1.389 2.291 0 CA-C-O 124.89 2.281 . . . . 0.0 115.652 -169.009 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.4 p -148.53 166.95 26.68 Favored 'General case' 0 C--N 1.378 1.835 0 CA-C-N 111.35 -2.659 . . . . 0.0 113.317 174.431 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -113.69 146.93 39.08 Favored 'General case' 0 C--N 1.379 1.876 0 CA-C-N 114.391 -1.277 . . . . 0.0 111.267 -171.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.554 ' HZ1' ' C ' ' A' ' 59' ' ' LEU . 59.3 mttt -120.67 110.91 16.97 Favored 'General case' 0 C--N 1.388 2.251 0 N-CA-C 104.841 -2.281 . . . . 0.0 104.841 179.069 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.568 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 2.2 t30 -113.83 129.25 56.61 Favored 'General case' 0 CA--C 1.581 2.141 0 C-N-CA 126.4 1.88 . . . . 0.0 106.736 -164.095 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -123.39 -23.99 2.39 Favored 'Isoleucine or valine' 0 C--N 1.401 2.805 0 N-CA-C 117.192 2.293 . . . . 0.0 117.192 -155.641 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.591 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -65.37 -99.26 0.0 OUTLIER 'General case' 0 CA--C 1.589 2.455 1 C-N-CA 131.918 4.087 . . . . 0.0 106.334 175.681 . . . . . . . . 4 4 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.255 9.7 t 74.97 -11.12 1.11 Allowed 'General case' 0 C--N 1.39 2.343 0 CA-C-O 116.842 -1.551 . . . . 0.0 113.886 174.825 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . 0.313 91.4 t80 86.62 -37.88 0.04 OUTLIER 'General case' 0 C--N 1.393 2.468 0 CA-C-N 122.698 2.499 . . . . 0.0 108.96 -173.192 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -86.25 -6.46 58.97 Favored 'General case' 0 CA--C 1.578 2.049 0 CA-C-O 116.784 -1.579 . . . . 0.0 112.988 177.501 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.8 t30 64.55 73.3 0.43 Allowed 'General case' 0 C--N 1.396 2.623 0 CA-C-N 122.943 2.61 . . . . 0.0 105.187 177.271 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 tp -159.0 157.42 3.23 Favored 'Isoleucine or valine' 0 C--N 1.392 2.433 0 C-N-CA 119.388 -0.925 . . . . 0.0 112.224 -174.947 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.6 mm -96.42 94.36 4.08 Favored 'Isoleucine or valine' 0 C--N 1.39 2.328 0 N-CA-C 106.067 -1.827 . . . . 0.0 106.067 177.898 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.73 128.17 21.27 Favored 'General case' 0 C--N 1.382 1.985 0 N-CA-C 104.155 -2.535 . . . . 0.0 104.155 179.851 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.415 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -169.47 -165.97 0.56 Allowed 'General case' 0 C--N 1.399 2.758 0 C-N-CA 117.635 -1.626 . . . . 0.0 113.067 -148.458 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -179.77 -178.54 48.52 Favored Glycine 0 C--N 1.393 3.742 1 C-N-CA 113.596 -4.145 . . . . 0.0 119.209 -170.28 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 47.3 t -66.73 121.5 15.57 Favored 'General case' 0 C--N 1.391 2.371 0 CA-C-N 114.157 -1.021 . . . . 0.0 108.908 -176.916 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.45 -108.96 0.21 Allowed Glycine 1 C--N 1.402 4.225 0 C-N-CA 116.212 -2.899 . . . . 0.0 107.962 179.187 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.394 41.9 t 81.57 -163.35 0.02 OUTLIER 'General case' 0 C--N 1.387 2.237 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 176.932 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 57.46 55.47 5.69 Favored 'General case' 0 C--N 1.385 2.112 0 CA-C-N 114.795 -1.093 . . . . 0.0 108.414 173.562 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 t -119.73 81.74 25.86 Favored Pre-proline 0 C--N 1.393 2.495 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 178.243 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -99.86 92.63 0.05 OUTLIER 'Trans proline' 0 C--N 1.401 3.308 0 N-CA-C 103.94 -3.138 . . . . 0.0 103.94 178.075 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.1 ttp85 89.7 87.34 0.01 OUTLIER 'General case' 0 C--N 1.391 2.398 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 -179.325 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -99.69 158.34 19.76 Favored Glycine 0 C--N 1.392 3.689 0 N-CA-C 115.632 1.013 . . . . 0.0 115.632 -178.623 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -123.52 30.04 6.39 Favored 'General case' 0 CA--C 1.581 2.163 0 CA-C-O 122.416 1.103 . . . . 0.0 110.833 178.048 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.9 ptt? -154.71 161.83 28.49 Favored Pre-proline 0 C--N 1.376 1.743 0 C-N-CA 126.991 2.116 . . . . 0.0 108.292 -179.275 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -59.74 118.57 5.47 Favored 'Trans proline' 0 C--N 1.394 2.961 0 N-CA-C 106.587 -2.12 . . . . 0.0 106.587 178.781 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -111.37 115.64 3.98 Favored Glycine 0 C--N 1.395 3.858 0 N-CA-C 109.408 -1.477 . . . . 0.0 109.408 -178.324 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . 0.255 19.1 Cg_exo -58.93 -178.83 0.13 Allowed 'Trans proline' 0 C--N 1.384 2.415 1 C-N-CA 127.332 5.354 . . . . 0.0 115.565 172.991 . . . . . . . . 3 2 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -89.98 141.55 28.55 Favored 'General case' 0 C--N 1.388 2.26 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 173.452 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 34.0 m -115.76 147.49 40.88 Favored 'General case' 0 C--N 1.391 2.412 0 CA-C-O 123.503 1.621 . . . . 0.0 113.46 -172.799 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 23.0 t -110.03 146.14 35.83 Favored 'General case' 0 C--N 1.382 2.015 0 CA-C-N 113.068 -1.878 . . . . 0.0 107.94 169.683 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -130.73 26.3 5.01 Favored 'General case' 0 C--N 1.378 1.836 0 CA-C-O 122.669 1.223 . . . . 0.0 110.148 172.527 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.4 p -127.27 171.33 11.57 Favored 'General case' 0 C--N 1.379 1.865 0 C-N-CA 127.322 2.249 . . . . 0.0 109.718 177.642 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.435 ' OD1' ' NZ ' ' A' ' 56' ' ' LYS . 30.8 t0 -72.99 129.77 38.84 Favored 'General case' 0 C--N 1.385 2.122 0 C-N-CA 117.621 -1.631 . . . . 0.0 108.278 178.182 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.435 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 40.3 mmtm 76.3 -69.21 0.17 Allowed 'General case' 0 C--N 1.391 2.408 0 C-N-CA 127.006 2.122 . . . . 0.0 113.849 172.3 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.254 58.8 m 61.18 63.84 1.18 Allowed 'General case' 0 CA--C 1.582 2.202 0 N-CA-C 105.155 -2.165 . . . . 0.0 105.155 -166.926 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.259 87.1 m-20 69.92 -57.88 0.54 Allowed 'General case' 0 C--N 1.39 2.331 0 C-N-CA 130.851 3.66 . . . . 0.0 112.334 175.882 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.554 ' C ' ' HZ1' ' A' ' 24' ' ' LYS . 2.5 mt . . . . . 0 CA--C 1.591 2.554 0 N-CA-C 104.813 -2.292 . . . . 0.0 104.813 -178.517 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.473 ' H3 ' ' CG ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.537 3.906 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.0 mt -75.5 125.61 35.31 Favored 'Isoleucine or valine' 0 C--N 1.395 2.556 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 176.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.1 m -136.79 178.51 7.02 Favored 'General case' 0 C--N 1.383 2.052 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.883 169.491 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -112.16 172.01 7.16 Favored 'General case' 0 C--N 1.38 1.896 0 N-CA-C 115.386 1.624 . . . . 0.0 115.386 -165.712 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 48.9 p30 -156.43 34.39 0.32 Allowed 'General case' 0 C--N 1.39 2.356 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 169.095 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.174 14.9 m170 -75.08 -168.74 0.8 Allowed 'General case' 0 C--N 1.387 2.207 0 C-N-CA 125.514 1.526 . . . . 0.0 113.436 -176.991 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.311 20.5 mt 69.82 -168.4 0.17 Allowed 'General case' 0 C--N 1.385 2.114 0 CA-C-O 121.827 0.823 . . . . 0.0 112.689 174.348 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.84 -66.2 2.56 Favored Glycine 0 C--N 1.383 3.182 0 N-CA-C 105.682 -2.967 . . . . 0.0 105.682 -166.712 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.9 m -151.07 -41.24 0.12 Allowed 'General case' 0 C--N 1.378 1.847 0 CA-C-N 113.198 -1.501 . . . . 0.0 108.096 175.154 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -103.37 128.32 27.77 Favored Pre-proline 0 CA--C 1.585 2.29 0 CA-C-O 118.934 -0.555 . . . . 0.0 112.268 -173.079 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -93.91 -2.26 3.03 Favored 'Trans proline' 0 C--N 1.411 3.839 1 N-CA-C 123.611 4.427 . . . . 0.0 123.611 -176.17 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -90.15 -18.17 1.43 Allowed 'Trans proline' 0 C--N 1.399 3.196 1 N-CA-C 124.151 4.635 . . . . 0.0 124.151 -172.957 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.6 p -86.08 142.6 28.58 Favored 'General case' 0 C--N 1.391 2.388 0 CA-C-N 123.189 2.722 . . . . 0.0 116.505 -170.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.9 p -140.12 148.53 41.81 Favored 'General case' 0 C--N 1.38 1.898 0 CA-C-N 110.783 -2.917 . . . . 0.0 108.189 -179.666 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -115.78 119.4 35.9 Favored 'General case' 0 C--N 1.379 1.868 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 -174.72 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 53.6 m -75.25 107.08 7.12 Favored 'General case' 0 C--N 1.393 2.487 0 N-CA-C 101.93 -3.359 . . . . 0.0 101.93 169.457 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.6 t -113.96 146.97 39.36 Favored 'General case' 0 C--N 1.394 2.529 0 CA-C-O 123.249 1.5 . . . . 0.0 111.317 -170.111 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -89.93 -18.94 25.16 Favored 'General case' 0 C--N 1.383 2.043 0 CA-C-N 113.436 -1.711 . . . . 0.0 113.085 -174.27 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -76.32 128.71 35.42 Favored 'General case' 0 C--N 1.388 2.28 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 177.152 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.473 ' CG ' ' H3 ' ' A' ' 1' ' ' ARG 2.163 46.9 m-20 -63.27 1.22 0.52 Allowed 'General case' 0 C--N 1.389 2.299 0 C-N-CA 127.913 2.485 . . . . 0.0 116.36 -172.589 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.9 m -144.11 152.07 40.44 Favored 'General case' 0 C--N 1.375 1.715 0 CA-C-O 122.779 1.276 . . . . 0.0 108.273 179.213 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.6 p -151.57 145.56 25.22 Favored 'General case' 0 C--N 1.379 1.887 0 CA-C-O 123.328 1.537 . . . . 0.0 109.38 -179.152 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 35.4 p90 -116.96 144.9 44.03 Favored 'General case' 0 C--N 1.38 1.933 0 CA-C-N 114.34 -1.3 . . . . 0.0 114.445 -161.406 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.455 ' NZ ' ' O ' ' A' ' 58' ' ' ASN . 25.5 mtpp -96.21 112.31 24.09 Favored 'General case' 0 C--N 1.387 2.234 0 N-CA-C 104.232 -2.507 . . . . 0.0 104.232 177.6 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.409 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 2.2 t30 -115.43 126.02 53.84 Favored 'General case' 0 CA--C 1.582 2.194 0 N-CA-C 102.682 -3.081 . . . . 0.0 102.682 -175.709 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.432 HD11 ' H ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -124.38 -19.48 3.42 Favored 'Isoleucine or valine' 0 C--N 1.393 2.471 0 N-CA-C 116.883 2.179 . . . . 0.0 116.883 -149.568 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.409 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -85.54 -99.03 0.07 Allowed 'General case' 0 CA--C 1.578 2.03 1 C-N-CA 133.974 4.91 . . . . 0.0 104.986 178.205 . . . . . . . . 4 4 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.5 t 75.2 155.25 0.16 Allowed 'General case' 0 C--N 1.39 2.343 0 CA-C-O 122.467 1.127 . . . . 0.0 110.841 178.282 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -54.77 -44.23 73.47 Favored 'General case' 0 C--N 1.388 2.272 0 O-C-N 121.625 -0.672 . . . . 0.0 110.976 179.543 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.53 4.36 13.54 Favored 'General case' 0 CA--C 1.581 2.143 0 C-N-CA 128.48 2.712 . . . . 0.0 113.477 -177.608 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 53.06 67.63 0.97 Allowed 'General case' 0 C--N 1.394 2.533 0 CA-C-N 122.082 2.219 . . . . 0.0 105.598 178.019 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.5 tp -153.52 164.45 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.384 2.089 0 CA-C-N 114.673 -1.149 . . . . 0.0 111.682 -169.53 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.9 mp -92.31 98.09 7.97 Favored 'Isoleucine or valine' 0 C--N 1.384 2.093 0 N-CA-C 102.636 -3.098 . . . . 0.0 102.636 173.844 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.0 ttp85 -143.57 125.1 14.83 Favored 'General case' 0 C--N 1.386 2.192 0 N-CA-C 103.841 -2.652 . . . . 0.0 103.841 -177.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.0 -166.54 2.52 Favored 'General case' 0 C--N 1.388 2.258 0 C-N-CA 118.087 -1.445 . . . . 0.0 114.166 -157.949 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -170.51 -169.02 33.12 Favored Glycine 0 C--N 1.393 3.71 1 C-N-CA 113.213 -4.327 . . . . 0.0 119.029 -174.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.4 t -95.87 117.29 30.3 Favored 'General case' 0 C--N 1.384 2.09 0 CA-C-N 113.382 -1.409 . . . . 0.0 109.331 -174.516 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.37 -87.37 0.07 OUTLIER Glycine 0 C--N 1.395 3.82 0 C-N-CA 116.973 -2.537 . . . . 0.0 106.783 173.951 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.351 28.4 t 78.53 -164.38 0.03 OUTLIER 'General case' 0 C--N 1.387 2.201 0 CA-C-N 114.57 -0.815 . . . . 0.0 112.216 -176.903 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 64.03 65.03 0.71 Allowed 'General case' 0 CA--C 1.586 2.345 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 164.293 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.2 t -127.72 95.11 35.78 Favored Pre-proline 0 C--N 1.396 2.6 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -178.29 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -108.35 79.7 0.02 OUTLIER 'Trans proline' 0 C--N 1.406 3.556 0 N-CA-C 109.119 -1.147 . . . . 0.0 109.119 -175.446 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.99 154.66 32.88 Favored 'General case' 0 C--N 1.391 2.397 0 O-C-N 121.197 -0.939 . . . . 0.0 109.836 177.525 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.08 -27.56 15.83 Favored Glycine 0 C--N 1.394 3.802 0 CA-C-O 117.439 -1.756 . . . . 0.0 117.466 -171.545 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -116.8 40.08 3.04 Favored 'General case' 0 C--N 1.38 1.931 0 CA-C-N 120.567 2.183 . . . . 0.0 108.703 -178.838 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.4 tpt -146.94 99.68 3.99 Favored Pre-proline 0 CA--C 1.579 2.074 0 N-CA-C 102.717 -3.068 . . . . 0.0 102.717 -177.749 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -97.32 105.96 0.08 OUTLIER 'Trans proline' 0 C--N 1.399 3.191 0 N-CA-C 107.625 -1.721 . . . . 0.0 107.625 -170.008 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.57 155.43 24.9 Favored Glycine 0 C--N 1.39 3.578 0 O-C-N 120.759 -1.213 . . . . 0.0 112.673 177.861 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -50.7 151.92 10.13 Favored 'Trans proline' 0 C--N 1.393 2.888 0 CA-C-O 124.094 1.623 . . . . 0.0 108.591 169.817 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 26.7 p90 -77.93 149.87 34.11 Favored 'General case' 0 C--N 1.383 2.024 0 CA-C-N 113.454 -1.703 . . . . 0.0 110.679 -178.562 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.8 m -118.67 160.28 22.12 Favored 'General case' 0 C--N 1.391 2.392 0 N-CA-C 116.626 2.084 . . . . 0.0 116.626 -166.477 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.2 t -122.72 157.57 32.01 Favored 'General case' 0 C--N 1.38 1.925 0 CA-C-N 112.19 -2.277 . . . . 0.0 109.535 169.377 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -135.15 52.36 2.04 Favored 'General case' 0 C--N 1.383 2.046 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 170.887 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 t -143.58 174.14 11.04 Favored 'General case' 0 C--N 1.386 2.194 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.798 177.178 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.515 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 25.7 t70 -66.12 126.36 28.42 Favored 'General case' 0 C--N 1.387 2.197 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 179.16 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.515 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 36.8 mmtm 71.03 -87.93 0.03 OUTLIER 'General case' 0 C--N 1.388 2.26 0 C-N-CA 126.467 1.907 . . . . 0.0 110.098 176.123 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.293 5.1 m 82.53 50.42 0.02 OUTLIER 'General case' 0 C--N 1.385 2.146 0 C-N-CA 129.025 2.93 . . . . 0.0 109.162 -174.612 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.455 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 71.0 m-80 54.6 58.41 4.9 Favored 'General case' 0 C--N 1.39 2.337 0 C-N-CA 125.498 1.519 . . . . 0.0 109.01 174.442 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.8 tt . . . . . 0 CA--C 1.581 2.137 0 N-CA-C 102.649 -3.093 . . . . 0.0 102.649 -175.186 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 1 N--CA 1.541 4.093 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 . . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 78.2 mt -136.68 128.72 44.04 Favored 'Isoleucine or valine' 0 C--N 1.384 2.085 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 177.528 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.3 m -132.46 143.91 50.11 Favored 'General case' 0 C--N 1.39 2.329 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 172.796 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -82.57 160.21 22.6 Favored 'General case' 0 C--N 1.391 2.37 0 O-C-N 120.377 -1.452 . . . . 0.0 113.956 -167.419 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -138.33 -1.52 1.9 Allowed 'General case' 0 C--N 1.394 2.535 0 CA-C-O 118.228 -0.891 . . . . 0.0 112.24 -173.247 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.217 15.6 m170 -68.38 -155.69 0.02 OUTLIER 'General case' 0 C--N 1.384 2.087 0 C-N-CA 125.783 1.633 . . . . 0.0 114.66 -170.277 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.418 ' H ' ' HA ' ' A' ' 11' ' ' PRO 0.281 60.9 mt 77.89 178.85 0.14 Allowed 'General case' 0 C--N 1.383 2.033 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 172.439 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 64.59 -127.05 33.67 Favored Glycine 0 CA--C 1.572 3.641 0 CA-C-O 123.155 1.42 . . . . 0.0 109.731 -170.711 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.1 m -69.79 -42.02 74.32 Favored 'General case' 0 C--N 1.385 2.121 0 O-C-N 121.878 -0.777 . . . . 0.0 111.142 -172.34 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -121.19 106.57 38.33 Favored Pre-proline 0 C--N 1.383 2.029 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 -173.453 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.418 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 81.0 Cg_exo -84.22 -9.51 9.43 Favored 'Trans proline' 0 C--N 1.4 3.265 0 N-CA-C 122.385 3.956 . . . . 0.0 122.385 -176.66 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -75.8 -12.39 19.98 Favored 'Trans proline' 0 C--N 1.394 2.924 1 N-CA-C 128.474 6.298 . . . . 0.0 128.474 -172.968 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.1 p -111.12 160.11 17.2 Favored 'General case' 0 C--N 1.389 2.321 1 CA-C-N 126.443 4.202 . . . . 0.0 118.942 -171.993 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 67.1 p -132.56 148.44 52.37 Favored 'General case' 0 C--N 1.373 1.629 0 CA-C-N 110.337 -3.119 . . . . 0.0 107.886 179.911 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -115.94 113.55 23.43 Favored 'General case' 0 C--N 1.384 2.075 0 CA-C-O 123.185 1.469 . . . . 0.0 110.121 -171.766 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 m -69.12 124.55 24.08 Favored 'General case' 0 C--N 1.392 2.441 0 N-CA-C 105.037 -2.208 . . . . 0.0 105.037 167.144 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -119.81 131.82 55.42 Favored 'General case' 0 C--N 1.384 2.072 0 N-CA-C 106.008 -1.849 . . . . 0.0 106.008 174.642 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -141.29 56.8 1.53 Allowed 'General case' 0 C--N 1.376 1.733 0 N-CA-C 103.665 -2.717 . . . . 0.0 103.665 166.335 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -131.27 47.02 2.58 Favored 'General case' 0 C--N 1.383 2.051 0 N-CA-C 106.171 -1.789 . . . . 0.0 106.171 -179.406 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.346 0.9 OUTLIER 78.48 -44.8 0.39 Allowed 'General case' 0 C--N 1.385 2.134 0 C-N-CA 127.214 2.206 . . . . 0.0 114.819 173.367 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.0 m -148.39 162.55 39.33 Favored 'General case' 0 C--N 1.385 2.119 0 CA-C-O 123.795 1.759 . . . . 0.0 115.46 -170.213 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -142.77 178.76 7.43 Favored 'General case' 0 C--N 1.384 2.103 0 CA-C-N 112.955 -1.929 . . . . 0.0 112.412 174.397 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -152.81 156.63 39.43 Favored 'General case' 0 C--N 1.383 2.037 0 CA-C-O 123.546 1.641 . . . . 0.0 114.92 -170.021 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.32 135.06 50.25 Favored 'General case' 0 C--N 1.384 2.086 0 CA-C-N 112.119 -2.31 . . . . 0.0 107.076 173.388 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.501 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 2.4 t30 -133.57 119.04 18.96 Favored 'General case' 0 CA--C 1.573 1.843 0 N-CA-C 103.105 -2.924 . . . . 0.0 103.105 -177.278 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -136.37 -25.39 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.404 2.978 0 N-CA-C 118.798 2.888 . . . . 0.0 118.798 -151.496 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.582 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -63.83 -109.66 0.0 OUTLIER 'General case' 0 CA--C 1.591 2.547 1 C-N-CA 132.361 4.264 . . . . 0.0 108.146 172.262 . . . . . . . . 4 4 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.9 t 76.64 160.18 0.22 Allowed 'General case' 0 C--N 1.394 2.511 0 C-N-CA 125.744 1.618 . . . . 0.0 112.867 176.776 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -60.95 -46.27 91.39 Favored 'General case' 0 C--N 1.393 2.469 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 172.457 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -76.05 0.46 18.58 Favored 'General case' 0 CA--C 1.575 1.941 0 C-N-CA 126.899 2.079 . . . . 0.0 113.966 -176.711 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 54.49 67.46 1.01 Allowed 'General case' 0 C--N 1.396 2.607 0 CA-C-N 122.963 2.62 . . . . 0.0 107.498 173.155 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.0 tp -155.25 153.7 7.58 Favored 'Isoleucine or valine' 0 C--N 1.387 2.218 0 CA-C-O 121.811 0.815 . . . . 0.0 110.56 -174.819 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 30.1 mt -94.59 93.26 3.83 Favored 'Isoleucine or valine' 0 C--N 1.388 2.252 0 N-CA-C 105.343 -2.095 . . . . 0.0 105.343 179.499 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.8 ttp85 -130.88 111.74 12.36 Favored 'General case' 0 C--N 1.385 2.119 0 N-CA-C 103.179 -2.897 . . . . 0.0 103.179 -176.408 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.57 -162.42 1.45 Allowed 'General case' 0 C--N 1.383 2.041 0 CA-C-N 111.815 -2.448 . . . . 0.0 111.818 -154.32 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 178.42 -164.02 32.36 Favored Glycine 0 C--N 1.391 3.602 1 C-N-CA 113.569 -4.158 . . . . 0.0 119.046 -173.544 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.9 t -93.37 110.58 22.12 Favored 'General case' 0 C--N 1.38 1.893 0 CA-C-N 111.6 -2.3 . . . . 0.0 108.013 -178.418 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.11 -97.24 0.11 Allowed Glycine 1 C--N 1.4 4.121 0 C-N-CA 115.34 -3.314 . . . . 0.0 107.907 176.383 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.449 20.5 t 85.92 -155.96 0.01 OUTLIER 'General case' 0 C--N 1.38 1.897 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 179.226 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 62.9 69.51 0.59 Allowed 'General case' 0 C--N 1.386 2.162 0 N-CA-C 104.613 -2.366 . . . . 0.0 104.613 176.91 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 77.2 p -110.1 82.28 2.49 Favored Pre-proline 0 C--N 1.389 2.32 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 -178.219 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -77.85 160.25 30.83 Favored 'Trans proline' 0 C--N 1.392 2.838 0 N-CA-C 109.139 -1.139 . . . . 0.0 109.139 179.412 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.45 79.29 9.49 Favored 'General case' 0 C--N 1.386 2.175 0 N-CA-C 101.803 -3.406 . . . . 0.0 101.803 177.545 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -104.21 22.75 33.88 Favored Glycine 0 C--N 1.391 3.586 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 171.149 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.292 38.0 m-20 65.97 41.02 3.85 Favored 'General case' 0 C--N 1.383 2.057 0 C-N-CA 128.301 2.641 . . . . 0.0 108.673 -175.624 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 51.1 mtm -133.55 126.89 19.36 Favored Pre-proline 0 C--N 1.388 2.254 0 N-CA-C 106.24 -1.763 . . . . 0.0 106.24 179.16 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_exo -69.87 174.16 10.01 Favored 'Trans proline' 0 C--N 1.398 3.135 0 N-CA-C 115.904 1.463 . . . . 0.0 115.904 178.727 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -178.12 172.11 44.61 Favored Glycine 0 C--N 1.39 3.532 0 C-N-CA 118.868 -1.634 . . . . 0.0 113.243 179.398 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -64.59 171.45 8.25 Favored 'Trans proline' 0 C--N 1.389 2.703 0 O-C-N 123.075 1.039 . . . . 0.0 111.301 172.883 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -97.85 128.53 44.53 Favored 'General case' 0 C--N 1.389 2.294 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 179.345 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.3 m -121.03 167.6 12.42 Favored 'General case' 0 C--N 1.392 2.436 0 N-CA-C 117.593 2.442 . . . . 0.0 117.593 -162.033 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.9 t -158.36 158.43 34.25 Favored 'General case' 0 C--N 1.387 2.196 0 CA-C-N 113.593 -1.639 . . . . 0.0 111.967 -174.722 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -120.72 49.56 1.44 Allowed 'General case' 0 C--N 1.384 2.094 0 CA-C-O 121.201 0.524 . . . . 0.0 110.482 -178.623 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 93.5 p -143.55 166.5 24.65 Favored 'General case' 0 C--N 1.385 2.125 0 C-N-CA 123.829 0.852 . . . . 0.0 110.574 177.441 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.527 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 29.5 t0 -73.86 119.8 18.57 Favored 'General case' 0 C--N 1.395 2.572 0 C-N-CA 119.645 -0.822 . . . . 0.0 109.121 -170.237 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.527 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.304 3.5 mppt? 68.37 -57.65 0.48 Allowed 'General case' 0 C--N 1.4 2.788 0 C-N-CA 127.489 2.315 . . . . 0.0 107.96 -169.395 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 37.9 t 81.16 -50.87 0.29 Allowed 'General case' 0 C--N 1.383 2.06 0 C-N-CA 129.098 2.959 . . . . 0.0 108.485 178.877 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -123.97 -93.05 0.51 Allowed 'General case' 0 C--N 1.386 2.189 0 N-CA-C 102.865 -3.013 . . . . 0.0 102.865 169.449 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 CA--C 1.581 2.139 0 N-CA-C 102.076 -3.305 . . . . 0.0 102.076 -175.532 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.534 3.758 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 . . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.4 mt -106.3 129.83 59.0 Favored 'Isoleucine or valine' 0 C--N 1.389 2.314 0 CA-C-O 121.935 0.874 . . . . 0.0 111.49 -170.732 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.5 m -141.01 162.17 36.11 Favored 'General case' 0 C--N 1.389 2.325 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 167.688 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -78.59 149.23 33.01 Favored 'General case' 0 C--N 1.388 2.275 0 O-C-N 121.144 -0.972 . . . . 0.0 112.424 -174.79 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -138.63 57.37 1.69 Allowed 'General case' 0 C--N 1.387 2.231 0 N-CA-C 104.4 -2.444 . . . . 0.0 104.4 177.074 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.164 3.4 m170 -108.2 -149.34 0.43 Allowed 'General case' 0 C--N 1.386 2.195 0 C-N-CA 128.18 2.592 . . . . 0.0 112.045 -174.903 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.373 4.7 mp 64.6 -163.43 0.26 Allowed 'General case' 0 C--N 1.389 2.301 0 CA-C-O 122.388 1.09 . . . . 0.0 111.758 172.203 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.52 -52.3 4.68 Favored Glycine 0 C--N 1.384 3.244 0 N-CA-C 108.837 -1.705 . . . . 0.0 108.837 -166.779 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.7 m -175.41 -43.07 0.01 OUTLIER 'General case' 0 C--N 1.384 2.098 0 C-N-CA 125.61 1.564 . . . . 0.0 107.147 -175.995 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -104.46 118.8 55.75 Favored Pre-proline 0 CA--C 1.591 2.526 0 C-N-CA 125.118 1.367 . . . . 0.0 110.657 -174.009 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -92.78 13.23 1.83 Allowed 'Trans proline' 0 C--N 1.41 3.793 0 N-CA-C 122.397 3.96 . . . . 0.0 122.397 -179.091 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -82.44 -19.24 6.57 Favored 'Trans proline' 0 C--N 1.405 3.516 1 N-CA-C 123.713 4.467 . . . . 0.0 123.713 -176.269 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.3 p -94.55 151.54 19.25 Favored 'General case' 0 C--N 1.392 2.419 0 CA-C-N 124.012 3.096 . . . . 0.0 116.46 -174.487 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 78.4 p -135.84 144.33 45.6 Favored 'General case' 0 C--N 1.382 2.016 0 CA-C-N 112.694 -2.048 . . . . 0.0 109.107 -176.904 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -99.88 88.75 3.86 Favored 'General case' 0 C--N 1.374 1.672 0 N-CA-C 105.39 -2.078 . . . . 0.0 105.39 -174.206 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.4 m -88.7 101.16 13.72 Favored 'General case' 0 C--N 1.389 2.317 0 N-CA-C 103.434 -2.802 . . . . 0.0 103.434 -179.75 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.6 t -131.65 160.79 34.36 Favored 'General case' 0 C--N 1.393 2.48 0 CA-C-O 123.303 1.525 . . . . 0.0 115.028 -163.292 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.63 -16.05 37.86 Favored 'General case' 0 C--N 1.378 1.832 0 CA-C-N 112.836 -1.984 . . . . 0.0 113.031 -178.27 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -74.36 127.72 33.73 Favored 'General case' 0 CA--C 1.585 2.294 0 N-CA-C 106.491 -1.67 . . . . 0.0 106.491 178.635 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.095 68.6 m-20 -47.45 -40.33 17.92 Favored 'General case' 0 C--N 1.388 2.253 0 C-N-CA 130.423 3.489 . . . . 0.0 114.735 -171.595 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.1 t -117.78 134.46 54.89 Favored 'General case' 0 C--N 1.378 1.826 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 -174.976 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.269 22.9 p -117.91 145.31 44.74 Favored 'General case' 0 C--N 1.383 2.029 0 CA-C-O 124.425 2.059 . . . . 0.0 109.468 173.541 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -112.01 157.58 20.57 Favored 'General case' 0 C--N 1.375 1.686 0 CA-C-N 113.007 -1.906 . . . . 0.0 112.077 -165.445 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.616 ' HZ1' ' C ' ' A' ' 59' ' ' LEU . 43.4 mttt -120.64 112.3 18.72 Favored 'General case' 0 C--N 1.378 1.832 0 CA-C-O 124.907 2.289 . . . . 0.0 104.967 -178.365 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -114.9 119.21 35.77 Favored 'General case' 0 CA--C 1.58 2.105 0 N-CA-C 102.986 -2.968 . . . . 0.0 102.986 -174.453 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.5 pp -135.24 28.04 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.395 2.562 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 -154.46 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.55 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -146.07 -107.02 0.1 Allowed 'General case' 0 CA--C 1.574 1.894 0 C-N-CA 127.58 2.352 . . . . 0.0 104.993 -164.199 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.4 t 75.83 160.6 0.23 Allowed 'General case' 0 C--N 1.391 2.386 0 O-C-N 120.9 -1.125 . . . . 0.0 111.815 179.229 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -59.15 -38.65 80.21 Favored 'General case' 0 C--N 1.391 2.371 0 O-C-N 121.795 -0.565 . . . . 0.0 109.764 176.063 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.424 ' CG ' HH21 ' A' ' 34' ' ' ARG . 5.3 p-10 -79.17 2.57 20.53 Favored 'General case' 0 CA--C 1.585 2.324 0 C-N-CA 128.629 2.772 . . . . 0.0 114.362 -178.8 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . 0.251 1.5 t30 50.23 78.69 0.1 Allowed 'General case' 0 C--N 1.391 2.398 0 C-N-CA 128.157 2.583 . . . . 0.0 108.228 175.91 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 tp -160.52 170.25 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.388 2.247 0 C-N-CA 120.225 -0.59 . . . . 0.0 111.494 -175.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 59.2 mt -104.61 116.66 48.84 Favored 'Isoleucine or valine' 0 C--N 1.387 2.229 0 N-CA-C 105.333 -2.099 . . . . 0.0 105.333 172.385 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.424 HH21 ' CG ' ' A' ' 30' ' ' ASP . 3.3 ttp85 -161.16 110.66 1.64 Allowed 'General case' 0 C--N 1.383 2.023 0 N-CA-C 101.58 -3.489 . . . . 0.0 101.58 -171.987 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.464 HH22 ' C ' ' A' ' 59' ' ' LEU . 31.9 ptt85 -143.78 -172.47 3.75 Favored 'General case' 0 C--N 1.384 2.086 0 CA-C-N 114.4 -1.273 . . . . 0.0 113.397 -157.326 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 177.43 -167.72 38.97 Favored Glycine 0 C--N 1.39 3.569 0 C-N-CA 114.453 -3.737 . . . . 0.0 116.49 -171.533 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.1 p -90.98 124.13 34.99 Favored 'General case' 0 C--N 1.387 2.226 0 CA-C-O 122.59 1.186 . . . . 0.0 109.895 -178.645 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.1 -104.74 0.18 Allowed Glycine 0 C--N 1.392 3.655 0 N-CA-C 105.595 -3.002 . . . . 0.0 105.595 177.811 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.322 43.0 t 84.0 -49.55 0.12 Allowed 'General case' 0 C--N 1.39 2.345 0 O-C-N 121.768 -0.842 . . . . 0.0 111.132 177.002 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -89.71 79.27 6.79 Favored 'General case' 0 C--N 1.384 2.095 0 N-CA-C 103.028 -2.953 . . . . 0.0 103.028 -172.558 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 37.8 p -100.04 124.75 42.37 Favored Pre-proline 0 C--N 1.388 2.269 0 CA-C-N 114.126 -1.397 . . . . 0.0 110.084 -168.284 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -70.86 150.11 60.97 Favored 'Trans proline' 0 C--N 1.395 3.017 0 C-N-CA 120.888 1.059 . . . . 0.0 110.752 179.935 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.2 tpt85 -88.64 62.6 6.57 Favored 'General case' 0 C--N 1.391 2.401 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 -179.994 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -115.54 42.74 1.83 Allowed Glycine 0 C--N 1.387 3.377 0 N-CA-C 110.238 -1.145 . . . . 0.0 110.238 175.155 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.282 10.2 m-20 56.06 47.65 19.26 Favored 'General case' 0 C--N 1.384 2.088 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 178.828 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.9 ttm -113.65 135.42 21.95 Favored Pre-proline 0 C--N 1.386 2.185 0 C-N-CA 126.555 1.942 . . . . 0.0 106.251 178.195 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -64.03 146.78 91.5 Favored 'Trans proline' 0 C--N 1.396 3.037 0 CA-C-O 122.379 0.908 . . . . 0.0 112.552 -174.719 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -111.77 92.89 0.67 Allowed Glycine 0 C--N 1.386 3.313 0 N-CA-C 107.393 -2.283 . . . . 0.0 107.393 179.081 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -58.35 163.08 10.87 Favored 'Trans proline' 0 C--N 1.388 2.647 0 C-N-CA 121.826 1.684 . . . . 0.0 110.135 172.051 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -75.22 148.01 39.86 Favored 'General case' 0 C--N 1.394 2.509 0 C-N-CA 117.569 -1.652 . . . . 0.0 108.421 178.418 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 17.7 m -118.64 157.59 27.11 Favored 'General case' 0 C--N 1.391 2.412 0 N-CA-C 116.252 1.945 . . . . 0.0 116.252 -167.295 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.4 t -145.5 161.84 38.8 Favored 'General case' 0 C--N 1.386 2.156 0 CA-C-N 113.704 -1.589 . . . . 0.0 110.5 172.478 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -137.52 36.26 2.46 Favored 'General case' 0 C--N 1.382 2.011 0 O-C-N 121.087 -1.008 . . . . 0.0 110.74 -179.213 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.4 t -123.05 157.1 33.5 Favored 'General case' 0 C--N 1.379 1.858 0 C-N-CA 126.515 1.926 . . . . 0.0 109.806 179.901 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.532 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 41.7 t0 -69.67 113.26 6.77 Favored 'General case' 0 C--N 1.389 2.301 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 -175.818 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.532 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.301 4.5 mptt 74.12 -44.26 0.56 Allowed 'General case' 0 C--N 1.397 2.667 0 C-N-CA 126.223 1.809 . . . . 0.0 110.152 -176.506 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . 0.418 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 40.8 t 67.95 62.63 0.4 Allowed 'General case' 0 C--N 1.38 1.905 0 N-CA-C 104.787 -2.301 . . . . 0.0 104.787 177.9 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.2 m120 84.72 -66.72 0.05 OUTLIER 'General case' 0 C--N 1.391 2.382 0 C-N-CA 127.276 2.23 . . . . 0.0 107.219 179.643 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.616 ' C ' ' HZ1' ' A' ' 24' ' ' LYS . 1.3 pt? . . . . . 0 CA--C 1.579 2.077 0 N-CA-C 102.927 -2.99 . . . . 0.0 102.927 177.868 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.491 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 23.1 mmt-85 . . . . . 0 N--CA 1.539 3.999 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 . . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.5 mt -124.81 127.96 72.97 Favored 'Isoleucine or valine' 0 C--N 1.383 2.055 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 174.289 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.6 m -132.94 178.94 6.49 Favored 'General case' 0 C--N 1.386 2.176 0 CA-C-O 121.433 0.635 . . . . 0.0 110.07 169.148 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -96.38 164.64 12.55 Favored 'General case' 0 C--N 1.378 1.841 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -174.776 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 34.3 p-10 -145.31 16.28 1.5 Allowed 'General case' 0 C--N 1.387 2.228 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.982 175.848 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.214 22.7 m-70 -70.08 -173.05 0.61 Allowed 'General case' 0 C--N 1.389 2.304 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -170.252 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.264 44.5 mt 73.5 179.47 0.22 Allowed 'General case' 0 C--N 1.391 2.373 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 175.699 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.52 -44.21 3.15 Favored Glycine 0 C--N 1.392 3.663 0 N-CA-C 115.402 0.921 . . . . 0.0 115.402 -176.402 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.6 m -161.89 -46.9 0.04 OUTLIER 'General case' 0 C--N 1.374 1.661 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 -176.363 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -101.04 142.74 25.22 Favored Pre-proline 0 C--N 1.39 2.332 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -171.42 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -58.64 166.5 6.37 Favored 'Trans proline' 0 C--N 1.402 3.382 0 C-N-CA 123.026 2.484 . . . . 0.0 114.29 170.367 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_exo -30.64 129.19 0.07 OUTLIER 'Trans proline' 0 C--N 1.398 3.147 1 C-N-CA 125.756 4.304 . . . . 0.0 115.946 -176.504 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.1 m -162.04 154.4 19.55 Favored 'General case' 0 C--N 1.39 2.365 0 N-CA-C 106.911 -1.515 . . . . 0.0 106.911 178.409 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.2 p -143.21 158.5 43.57 Favored 'General case' 0 C--N 1.382 2.015 0 C-N-CA 123.553 0.741 . . . . 0.0 111.853 -165.372 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -127.66 116.13 19.82 Favored 'General case' 0 C--N 1.387 2.231 0 CA-C-O 123.035 1.398 . . . . 0.0 110.708 -171.664 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.2 m -76.9 124.95 28.49 Favored 'General case' 0 C--N 1.39 2.361 0 N-CA-C 104.929 -2.248 . . . . 0.0 104.929 170.607 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.4 t -123.25 139.05 54.44 Favored 'General case' 0 C--N 1.385 2.13 0 CA-C-O 124.524 2.107 . . . . 0.0 110.361 -172.825 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.3 -22.0 15.79 Favored 'General case' 0 CA--C 1.569 1.701 0 C-N-CA 129.788 3.235 . . . . 0.0 110.034 174.315 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -81.31 108.27 14.8 Favored 'General case' 0 C--N 1.391 2.382 0 N-CA-C 102.401 -3.185 . . . . 0.0 102.401 171.179 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.148 66.0 m-20 -47.39 7.91 0.0 OUTLIER 'General case' 0 CA--C 1.584 2.276 1 C-N-CA 132.95 4.5 . . . . 0.0 118.6 -172.713 . . . . . . . . 4 3 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.1 t -149.91 131.35 14.74 Favored 'General case' 0 C--N 1.38 1.901 0 CA-C-N 122.186 2.267 . . . . 0.0 107.097 -178.495 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.3 p -136.4 144.11 44.33 Favored 'General case' 0 C--N 1.383 2.058 0 CA-C-O 123.288 1.518 . . . . 0.0 109.7 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -127.17 162.2 26.71 Favored 'General case' 0 C--N 1.386 2.161 0 N-CA-C 118.045 2.609 . . . . 0.0 118.045 -157.235 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.471 ' NZ ' ' OXT' ' A' ' 59' ' ' LEU . 65.7 mmtt -93.37 139.08 31.07 Favored 'General case' 0 C--N 1.398 2.677 0 CA-C-O 122.783 1.278 . . . . 0.0 107.716 166.407 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.511 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 2.6 t30 -136.03 122.86 21.21 Favored 'General case' 0 CA--C 1.575 1.938 0 N-CA-C 103.143 -2.91 . . . . 0.0 103.143 -179.359 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.29 -17.23 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.403 2.921 0 N-CA-C 117.996 2.591 . . . . 0.0 117.996 -151.428 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.551 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -81.76 -105.84 0.03 OUTLIER 'General case' 0 CA--C 1.589 2.448 1 C-N-CA 133.471 4.708 . . . . 0.0 106.694 179.219 . . . . . . . . 4 4 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 t 79.03 159.72 0.18 Allowed 'General case' 0 C--N 1.393 2.464 0 C-N-CA 125.13 1.372 . . . . 0.0 113.951 173.05 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -68.98 -39.07 79.62 Favored 'General case' 0 C--N 1.392 2.433 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.316 -179.92 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -77.36 -5.26 48.98 Favored 'General case' 0 CA--C 1.577 1.997 0 C-N-CA 127.773 2.429 . . . . 0.0 113.015 179.227 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 44.6 t30 65.34 74.1 0.39 Allowed 'General case' 0 C--N 1.397 2.66 0 CA-C-N 122.027 2.194 . . . . 0.0 106.779 173.746 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 tp -167.04 164.28 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.397 2.651 0 C-N-CA 118.06 -1.456 . . . . 0.0 113.422 -169.162 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.2 mp -100.98 100.78 11.04 Favored 'Isoleucine or valine' 0 C--N 1.39 2.365 0 N-CA-C 104.987 -2.227 . . . . 0.0 104.987 179.266 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.6 ttp85 -147.38 108.41 4.22 Favored 'General case' 0 C--N 1.386 2.179 0 N-CA-C 102.802 -3.036 . . . . 0.0 102.802 -171.145 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -140.26 -170.09 2.9 Favored 'General case' 0 C--N 1.387 2.207 0 CA-C-N 112.732 -2.031 . . . . 0.0 114.261 -154.698 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 172.64 -164.04 36.14 Favored Glycine 1 C--N 1.4 4.099 1 C-N-CA 113.206 -4.331 . . . . 0.0 122.226 -175.094 . . . . . . . . 3 2 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.1 t -87.79 111.95 21.92 Favored 'General case' 0 C--N 1.39 2.337 0 C-N-CA 126.108 1.763 . . . . 0.0 108.853 -177.156 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.54 -93.45 0.09 OUTLIER Glycine 1 C--N 1.4 4.095 0 C-N-CA 116.12 -2.943 . . . . 0.0 107.29 173.758 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.362 43.0 t 82.0 -55.31 0.24 Allowed 'General case' 0 C--N 1.386 2.161 0 C-N-CA 124.963 1.305 . . . . 0.0 112.203 174.801 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -86.19 79.84 8.97 Favored 'General case' 0 C--N 1.388 2.252 0 N-CA-C 107.008 -1.478 . . . . 0.0 107.008 -167.896 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.7 t -114.42 99.11 50.66 Favored Pre-proline 0 C--N 1.381 1.954 0 N-CA-C 103.763 -2.68 . . . . 0.0 103.763 178.538 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -86.44 69.22 4.5 Favored 'Trans proline' 0 C--N 1.403 3.447 0 N-CA-C 106.521 -2.146 . . . . 0.0 106.521 179.884 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.6 130.01 16.75 Favored 'General case' 0 C--N 1.383 2.025 0 CA-C-O 122.068 0.937 . . . . 0.0 108.573 -179.603 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -87.33 -29.59 21.75 Favored Glycine 0 C--N 1.389 3.525 0 O-C-N 121.248 -0.907 . . . . 0.0 111.83 172.762 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -100.36 35.53 2.09 Favored 'General case' 0 C--N 1.384 2.094 0 C-N-CA 126.19 1.796 . . . . 0.0 110.925 -175.989 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -146.75 101.12 3.97 Favored Pre-proline 0 C--N 1.374 1.655 0 N-CA-C 101.331 -3.581 . . . . 0.0 101.331 177.102 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_exo -59.08 123.3 13.16 Favored 'Trans proline' 0 C--N 1.396 3.044 0 CA-C-O 122.492 0.955 . . . . 0.0 110.065 -174.484 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.64 167.71 28.68 Favored Glycine 0 C--N 1.387 3.399 0 CA-C-O 122.113 0.841 . . . . 0.0 114.115 -179.812 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -85.01 168.49 10.59 Favored 'Trans proline' 0 C--N 1.382 2.321 0 C-N-CA 122.821 2.347 . . . . 0.0 111.228 179.416 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -84.8 114.5 22.12 Favored 'General case' 0 CA--C 1.577 2.012 0 N-CA-C 101.742 -3.429 . . . . 0.0 101.742 177.077 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 17.7 m -112.33 156.81 21.83 Favored 'General case' 0 C--N 1.396 2.618 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 -165.916 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.5 t -129.88 159.31 36.99 Favored 'General case' 0 C--N 1.383 2.033 0 CA-C-N 113.322 -1.763 . . . . 0.0 110.418 176.442 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -128.23 46.08 2.65 Favored 'General case' 0 C--N 1.375 1.688 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.298 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.4 p -153.12 175.17 13.31 Favored 'General case' 0 C--N 1.385 2.133 0 CA-C-O 121.561 0.696 . . . . 0.0 111.395 179.172 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.463 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 16.1 t0 -74.08 109.84 7.9 Favored 'General case' 0 CA--C 1.582 2.209 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 -175.929 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.463 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 10.3 mptt 73.37 -53.09 0.7 Allowed 'General case' 0 C--N 1.395 2.586 0 C-N-CA 127.802 2.441 . . . . 0.0 114.304 173.337 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 56.43 51.95 10.68 Favored 'General case' 0 CA--C 1.581 2.163 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 -177.933 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.6 m120 63.79 79.21 0.26 Allowed 'General case' 0 C--N 1.392 2.451 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 177.344 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.471 ' OXT' ' NZ ' ' A' ' 24' ' ' LYS . 86.9 mt . . . . . 0 CA--C 1.599 2.859 0 C-N-CA 126.14 1.776 . . . . 0.0 112.692 170.51 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 1 N--CA 1.552 4.645 0 CA-C-O 117.888 -1.053 . . . . 0.0 108.91 . . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.1 mt -93.95 144.11 10.26 Favored 'Isoleucine or valine' 0 C--N 1.397 2.67 0 CA-C-N 120.655 1.57 . . . . 0.0 110.773 -179.001 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.2 m -147.96 166.43 27.71 Favored 'General case' 0 C--N 1.388 2.28 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.907 167.607 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -75.14 165.95 24.41 Favored 'General case' 0 C--N 1.387 2.198 0 CA-C-O 122.035 0.921 . . . . 0.0 112.277 177.135 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -161.71 50.43 0.22 Allowed 'General case' 0 C--N 1.382 2.006 0 N-CA-C 104.219 -2.512 . . . . 0.0 104.219 168.504 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.194 4.4 m170 -89.46 -147.03 0.17 Allowed 'General case' 0 C--N 1.387 2.196 0 C-N-CA 124.972 1.309 . . . . 0.0 108.76 177.048 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.282 0.3 OUTLIER 62.66 -175.12 0.15 Allowed 'General case' 0 C--N 1.386 2.179 0 CA-C-O 122.359 1.076 . . . . 0.0 113.785 170.21 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.51 -55.43 4.47 Favored Glycine 0 C--N 1.388 3.445 0 N-CA-C 109.516 -1.433 . . . . 0.0 109.516 -171.41 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.3 m -163.05 -43.79 0.03 OUTLIER 'General case' 0 C--N 1.378 1.83 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 -177.609 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.2 mmtt -107.16 129.6 24.09 Favored Pre-proline 0 C--N 1.388 2.271 0 C-N-CA 123.076 0.551 . . . . 0.0 111.22 -173.915 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -97.16 5.14 1.56 Allowed 'Trans proline' 0 CA--C 1.6 3.789 0 N-CA-C 119.883 2.993 . . . . 0.0 119.883 -176.366 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -91.8 -19.96 0.72 Allowed 'Trans proline' 0 C--N 1.406 3.557 1 N-CA-C 124.21 4.658 . . . . 0.0 124.21 -175.148 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.1 p -89.85 141.9 28.2 Favored 'General case' 0 C--N 1.392 2.423 0 CA-C-N 123.539 2.881 . . . . 0.0 116.197 -172.402 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.8 p -130.59 140.24 50.44 Favored 'General case' 0 C--N 1.38 1.904 0 CA-C-N 113.088 -1.869 . . . . 0.0 106.42 173.318 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -103.93 118.08 35.84 Favored 'General case' 0 C--N 1.381 1.943 0 CA-C-O 121.309 0.576 . . . . 0.0 109.747 -172.027 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 54.5 m -84.97 109.42 18.16 Favored 'General case' 0 C--N 1.388 2.273 0 N-CA-C 103.068 -2.938 . . . . 0.0 103.068 173.237 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.3 t -114.5 150.5 34.76 Favored 'General case' 0 C--N 1.394 2.539 0 CA-C-O 123.494 1.616 . . . . 0.0 113.364 -168.168 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -81.25 -3.36 52.17 Favored 'General case' 0 C--N 1.382 1.983 0 CA-C-N 112.995 -1.912 . . . . 0.0 112.595 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -100.47 137.16 39.26 Favored 'General case' 0 C--N 1.388 2.26 0 CA-C-O 123.917 1.817 . . . . 0.0 109.281 -178.313 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.145 24.0 m-20 -45.38 -44.19 11.69 Favored 'General case' 0 C--N 1.38 1.899 0 C-N-CA 128.332 2.653 . . . . 0.0 111.048 -176.052 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.7 t -129.08 147.47 50.94 Favored 'General case' 0 C--N 1.391 2.377 0 CA-C-O 123.611 1.672 . . . . 0.0 113.018 -174.738 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.266 26.1 p -136.08 155.84 49.6 Favored 'General case' 0 C--N 1.388 2.275 0 CA-C-N 114.409 -1.268 . . . . 0.0 112.81 179.81 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -132.67 155.79 48.14 Favored 'General case' 0 C--N 1.391 2.405 0 N-CA-C 116.693 2.109 . . . . 0.0 116.693 -159.078 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.21 124.33 45.51 Favored 'General case' 0 C--N 1.394 2.508 0 CA-C-N 113.619 -1.628 . . . . 0.0 108.394 178.241 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.426 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 0.8 OUTLIER -118.98 115.45 24.37 Favored 'General case' 0 CA--C 1.591 2.522 0 N-CA-C 102.555 -3.128 . . . . 0.0 102.555 -178.69 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -119.63 -26.49 2.39 Favored 'Isoleucine or valine' 0 C--N 1.402 2.876 0 N-CA-C 117.843 2.534 . . . . 0.0 117.843 -155.666 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.582 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -63.16 -104.6 0.0 OUTLIER 'General case' 0 CA--C 1.599 2.837 1 C-N-CA 132.226 4.211 . . . . 0.0 106.866 168.221 . . . . . . . . 4 4 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.4 t 76.54 158.55 0.2 Allowed 'General case' 0 C--N 1.393 2.479 0 C-N-CA 126.31 1.844 . . . . 0.0 111.103 178.629 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -62.86 -44.12 96.97 Favored 'General case' 0 C--N 1.388 2.252 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.035 173.582 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -73.93 -2.06 22.37 Favored 'General case' 0 CA--C 1.581 2.172 0 CA-C-O 116.152 -1.88 . . . . 0.0 114.357 -178.385 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.0 t30 61.86 71.23 0.55 Allowed 'General case' 0 C--N 1.397 2.66 0 CA-C-N 124.014 3.097 . . . . 0.0 105.772 177.009 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.1 tp -166.92 158.08 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.391 2.373 0 C-N-CA 117.584 -1.646 . . . . 0.0 111.786 -173.129 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 52.0 mt -92.63 90.94 3.21 Favored 'Isoleucine or valine' 0 C--N 1.388 2.254 0 N-CA-C 103.644 -2.724 . . . . 0.0 103.644 176.902 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.44 124.86 16.61 Favored 'General case' 0 C--N 1.384 2.07 0 N-CA-C 102.657 -3.09 . . . . 0.0 102.657 -176.11 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.29 -164.8 1.2 Allowed 'General case' 0 C--N 1.391 2.393 0 CA-C-N 112.886 -1.961 . . . . 0.0 112.442 -149.4 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -166.37 -167.16 26.61 Favored Glycine 0 C--N 1.391 3.601 1 C-N-CA 112.437 -4.697 . . . . 0.0 119.194 -170.251 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.1 t -102.72 116.73 33.15 Favored 'General case' 0 C--N 1.379 1.885 0 CA-C-N 112.06 -2.07 . . . . 0.0 108.746 -173.947 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.79 -81.9 0.05 OUTLIER Glycine 0 C--N 1.397 3.937 0 C-N-CA 115.698 -3.144 . . . . 0.0 106.36 178.326 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.37 41.9 t 82.36 -53.85 0.22 Allowed 'General case' 0 C--N 1.384 2.069 0 CA-C-N 113.275 -1.462 . . . . 0.0 108.934 -178.949 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -90.21 63.27 5.72 Favored 'General case' 0 C--N 1.38 1.908 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 -168.714 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.4 t -100.27 141.09 22.06 Favored Pre-proline 0 C--N 1.392 2.428 0 C-N-CA 126.245 1.818 . . . . 0.0 109.224 -179.268 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -52.94 134.57 55.82 Favored 'Trans proline' 0 C--N 1.397 3.108 0 CA-C-O 123.554 1.398 . . . . 0.0 108.626 172.549 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -151.75 149.04 28.6 Favored 'General case' 0 C--N 1.383 2.026 0 CA-C-N 114.624 -1.171 . . . . 0.0 109.221 -179.268 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 153.65 -94.71 0.15 Allowed Glycine 0 C--N 1.389 3.476 0 N-CA-C 104.406 -3.477 . . . . 0.0 104.406 -173.004 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -91.89 27.07 2.2 Favored 'General case' 0 C--N 1.391 2.377 0 CA-C-O 122.206 1.003 . . . . 0.0 109.027 170.264 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 43.0 mtt -138.59 97.3 9.28 Favored Pre-proline 0 C--N 1.378 1.848 0 N-CA-C 103.996 -2.594 . . . . 0.0 103.996 -179.423 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -68.37 117.81 5.21 Favored 'Trans proline' 0 C--N 1.394 2.943 0 N-CA-C 109.18 -1.123 . . . . 0.0 109.18 179.322 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -104.12 176.16 23.44 Favored Glycine 0 C--N 1.393 3.739 0 O-C-N 120.674 -1.266 . . . . 0.0 114.666 179.825 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 0.6 OUTLIER -62.19 169.84 7.22 Favored 'Trans proline' 0 C--N 1.392 2.83 0 C-N-CA 122.545 2.163 . . . . 0.0 115.331 174.451 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -103.61 137.16 42.06 Favored 'General case' 0 C--N 1.384 2.102 0 CA-C-N 114.443 -1.253 . . . . 0.0 109.298 179.935 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.2 m -119.36 157.14 28.76 Favored 'General case' 0 C--N 1.395 2.573 0 N-CA-C 117.849 2.537 . . . . 0.0 117.849 -165.065 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.8 t -128.11 151.12 49.59 Favored 'General case' 0 C--N 1.384 2.07 0 CA-C-N 113.139 -1.846 . . . . 0.0 108.189 170.692 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.17 34.49 5.2 Favored 'General case' 0 C--N 1.379 1.866 0 O-C-N 120.753 -1.217 . . . . 0.0 111.407 -176.393 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.2 t -137.7 -178.05 5.07 Favored 'General case' 0 C--N 1.38 1.901 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.277 178.17 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.414 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 0.9 OUTLIER -79.64 102.46 8.94 Favored 'General case' 0 C--N 1.382 1.989 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 -169.416 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.414 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 3.2 mppt? 73.52 -54.98 0.68 Allowed 'General case' 0 C--N 1.394 2.502 0 C-N-CA 126.396 1.878 . . . . 0.0 110.971 -179.588 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.25 75.1 m 78.55 -50.44 0.47 Allowed 'General case' 0 C--N 1.381 1.956 0 C-N-CA 129.043 2.937 . . . . 0.0 108.111 -176.032 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -164.2 -82.22 0.03 OUTLIER 'General case' 0 C--N 1.387 2.198 0 N-CA-C 104.282 -2.488 . . . . 0.0 104.282 176.571 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.1 tp . . . . . 0 CA--C 1.575 1.908 1 N-CA-C 98.95 -4.463 . . . . 0.0 98.95 177.284 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.529 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.536 3.854 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 . . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 27.9 mt -87.02 119.58 35.03 Favored 'Isoleucine or valine' 0 C--N 1.395 2.544 0 CA-C-O 122.253 1.025 . . . . 0.0 109.696 -169.226 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.5 m -138.96 136.8 35.8 Favored 'General case' 0 C--N 1.388 2.249 0 N-CA-C 106.4 -1.704 . . . . 0.0 106.4 175.837 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -76.67 159.57 30.11 Favored 'General case' 0 C--N 1.389 2.322 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -163.099 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 51.1 p-10 -147.18 37.3 0.94 Allowed 'General case' 0 C--N 1.393 2.465 0 C-N-CA 118.704 -1.199 . . . . 0.0 109.53 179.786 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.221 6.8 m170 -78.42 -143.69 0.03 OUTLIER 'General case' 0 CA--C 1.585 2.321 0 C-N-CA 125.03 1.332 . . . . 0.0 109.758 -179.329 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.323 5.4 mp 68.17 179.96 0.23 Allowed 'General case' 0 C--N 1.393 2.499 0 O-C-N 120.321 -1.487 . . . . 0.0 113.902 173.192 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.97 -63.94 3.97 Favored Glycine 0 C--N 1.39 3.552 0 N-CA-C 108.741 -1.744 . . . . 0.0 108.741 -169.705 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.6 m -161.43 -45.88 0.04 OUTLIER 'General case' 0 C--N 1.379 1.874 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 -179.58 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -96.03 124.91 50.35 Favored Pre-proline 0 C--N 1.385 2.116 0 CA-C-O 118.555 -0.736 . . . . 0.0 109.046 -177.336 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -101.86 -4.13 0.36 Allowed 'Trans proline' 0 C--N 1.409 3.745 0 CA-C-O 114.922 -2.199 . . . . 0.0 117.502 -179.271 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -73.86 -17.82 22.35 Favored 'Trans proline' 0 C--N 1.401 3.293 1 N-CA-C 123.767 4.487 . . . . 0.0 123.767 -176.619 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.1 p -97.9 154.48 17.62 Favored 'General case' 0 C--N 1.394 2.508 0 CA-C-N 124.691 3.405 . . . . 0.0 115.64 -174.206 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.9 p -135.16 148.59 49.76 Favored 'General case' 0 C--N 1.376 1.73 0 CA-C-N 111.728 -2.487 . . . . 0.0 109.319 -179.536 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -102.27 103.2 13.67 Favored 'General case' 0 C--N 1.38 1.929 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 -170.542 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 36.8 m -86.89 105.62 17.19 Favored 'General case' 0 C--N 1.388 2.254 0 N-CA-C 102.979 -2.971 . . . . 0.0 102.979 179.574 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.3 t -115.32 154.87 28.35 Favored 'General case' 0 C--N 1.396 2.614 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -164.287 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -95.67 -29.89 14.06 Favored 'General case' 0 C--N 1.382 1.98 0 CA-C-N 112.873 -1.967 . . . . 0.0 111.247 177.118 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -74.67 111.57 10.0 Favored 'General case' 0 CA--C 1.583 2.232 0 N-CA-C 103.694 -2.706 . . . . 0.0 103.694 175.353 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.092 76.8 m-20 -54.43 -8.58 0.23 Allowed 'General case' 0 C--N 1.389 2.314 0 C-N-CA 128.289 2.635 . . . . 0.0 116.658 -174.919 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.8 t -118.36 133.48 55.84 Favored 'General case' 0 C--N 1.381 1.941 0 CA-C-N 120.401 1.455 . . . . 0.0 107.929 -179.451 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.8 p -133.55 146.66 51.24 Favored 'General case' 0 C--N 1.381 1.949 0 CA-C-O 123.775 1.75 . . . . 0.0 109.886 178.373 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -130.77 143.85 51.03 Favored 'General case' 0 C--N 1.385 2.145 0 CA-C-N 113.058 -1.883 . . . . 0.0 114.805 -155.933 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.4 ' HZ1' ' C ' ' A' ' 58' ' ' ASN . 0.0 OUTLIER -92.35 116.98 29.45 Favored 'General case' 0 C--N 1.388 2.275 0 N-CA-C 105.812 -1.921 . . . . 0.0 105.812 178.318 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.477 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 5.5 t30 -119.81 123.24 43.2 Favored 'General case' 0 CA--C 1.587 2.384 0 N-CA-C 104.637 -2.357 . . . . 0.0 104.637 -178.309 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 pp -132.96 4.53 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.402 2.848 0 N-CA-C 118.233 2.679 . . . . 0.0 118.233 -148.165 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.577 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -112.84 -104.18 0.4 Allowed 'General case' 0 CA--C 1.576 1.967 1 C-N-CA 132.74 4.416 . . . . 0.0 103.818 -172.61 . . . . . . . . 4 4 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.7 t 73.15 161.48 0.25 Allowed 'General case' 0 C--N 1.39 2.362 0 CA-C-O 122.074 0.94 . . . . 0.0 110.589 179.888 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -62.06 -28.5 69.64 Favored 'General case' 0 C--N 1.387 2.197 0 O-C-N 121.607 -0.683 . . . . 0.0 111.727 178.727 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -93.59 10.63 31.84 Favored 'General case' 0 CA--C 1.578 2.046 0 C-N-CA 127.826 2.45 . . . . 0.0 114.226 -176.047 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.5 t30 49.35 64.95 1.54 Allowed 'General case' 0 C--N 1.394 2.526 0 CA-C-N 121.666 2.03 . . . . 0.0 106.266 176.377 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 tp -146.81 171.78 3.48 Favored 'Isoleucine or valine' 0 C--N 1.386 2.159 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.739 -169.076 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . 0.252 16.8 mt -111.08 98.43 7.04 Favored 'Isoleucine or valine' 0 C--N 1.389 2.297 0 N-CA-C 105.465 -2.05 . . . . 0.0 105.465 174.713 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.76 108.44 4.67 Favored 'General case' 0 C--N 1.381 1.956 0 N-CA-C 100.611 -3.848 . . . . 0.0 100.611 -174.951 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -141.51 -175.84 4.51 Favored 'General case' 0 C--N 1.374 1.66 0 CA-C-N 109.548 -3.478 . . . . 0.0 111.727 -153.704 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -161.5 -159.19 9.9 Favored Glycine 0 C--N 1.391 3.589 0 C-N-CA 113.965 -3.969 . . . . 0.0 117.147 -168.661 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.8 t -130.41 117.95 20.47 Favored 'General case' 0 CA--C 1.575 1.929 0 CA-C-O 123.075 1.417 . . . . 0.0 109.156 -179.885 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.33 -79.96 0.05 OUTLIER Glycine 0 C--N 1.388 3.442 1 N-CA-C 102.025 -4.43 . . . . 0.0 102.025 175.058 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.482 42.0 t 65.55 -149.79 0.24 Allowed 'General case' 0 C--N 1.389 2.286 0 N-CA-C 116.374 1.991 . . . . 0.0 116.374 167.834 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 72.53 70.96 0.14 Allowed 'General case' 0 C--N 1.389 2.283 0 CA-C-N 113.553 -1.658 . . . . 0.0 106.525 -178.918 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 70.4 p -112.71 89.83 13.9 Favored Pre-proline 0 C--N 1.402 2.868 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.399 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -91.85 75.08 0.58 Allowed 'Trans proline' 0 C--N 1.414 3.992 0 N-CA-C 108.305 -1.46 . . . . 0.0 108.305 176.228 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.439 HH12 ' CG ' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -164.5 100.51 0.81 Allowed 'General case' 0 C--N 1.387 2.234 0 N-CA-C 103.5 -2.778 . . . . 0.0 103.5 -179.792 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.27 -11.32 84.23 Favored Glycine 0 C--N 1.394 3.772 0 CA-C-O 117.859 -1.523 . . . . 0.0 116.03 -174.035 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.439 ' CG ' HH12 ' A' ' 43' ' ' ARG . 16.2 p-10 -105.12 29.82 6.07 Favored 'General case' 0 C--N 1.378 1.82 0 CA-C-N 120.437 2.119 . . . . 0.0 110.723 179.165 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.1 ttt -113.32 137.11 21.92 Favored Pre-proline 0 C--N 1.38 1.908 0 C-N-CA 125.998 1.719 . . . . 0.0 108.587 177.306 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -80.97 58.54 7.07 Favored 'Trans proline' 0 C--N 1.406 3.603 0 N-CA-C 110.43 -0.642 . . . . 0.0 110.43 173.797 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.93 155.86 28.06 Favored Glycine 0 C--N 1.387 3.396 0 C-N-CA 124.709 1.147 . . . . 0.0 110.27 176.881 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -55.46 161.33 7.58 Favored 'Trans proline' 0 C--N 1.393 2.899 0 N-CA-C 108.155 -1.517 . . . . 0.0 108.155 165.922 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -91.77 115.47 28.08 Favored 'General case' 0 C--N 1.379 1.887 0 N-CA-C 104.623 -2.362 . . . . 0.0 104.623 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.7 m -118.06 118.97 33.36 Favored 'General case' 0 C--N 1.392 2.429 0 CA-C-O 123.3 1.524 . . . . 0.0 109.553 -166.936 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 36.3 t -97.1 174.98 6.47 Favored 'General case' 0 C--N 1.379 1.89 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.214 173.498 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.27 42.52 2.73 Favored 'General case' 0 C--N 1.385 2.142 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -169.757 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.1 t -172.73 106.35 0.16 Allowed 'General case' 0 C--N 1.388 2.244 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 174.543 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.51 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 8.1 t0 64.84 -167.54 0.22 Allowed 'General case' 0 C--N 1.389 2.294 0 CA-C-O 122.655 1.217 . . . . 0.0 110.595 179.276 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.51 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.271 0.0 OUTLIER -55.62 -40.84 72.65 Favored 'General case' 0 C--N 1.385 2.149 0 CA-C-O 116.316 -1.802 . . . . 0.0 111.941 -177.82 . . . . . . . . 4 4 . 1 . 035 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 52.4 t 45.48 67.73 0.68 Allowed 'General case' 0 C--N 1.384 2.084 0 CA-C-N 121.084 1.766 . . . . 0.0 107.49 174.759 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.4 ' C ' ' HZ1' ' A' ' 24' ' ' LYS . 5.9 m120 86.45 65.92 0.01 OUTLIER 'General case' 0 C--N 1.392 2.435 0 C-N-CA 125.439 1.496 . . . . 0.0 110.245 169.116 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.6 tp . . . . . 0 CA--C 1.587 2.388 0 C-N-CA 126.104 1.762 . . . . 0.0 107.74 175.759 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.443 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.531 3.614 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 . . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.5 mp -83.85 118.11 30.67 Favored 'Isoleucine or valine' 0 C--N 1.392 2.446 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -176.336 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.2 p -143.13 148.09 36.03 Favored 'General case' 0 C--N 1.384 2.072 0 CA-C-O 122.799 1.285 . . . . 0.0 109.166 168.514 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.9 m-30 -87.43 177.59 7.06 Favored 'General case' 0 C--N 1.389 2.317 0 N-CA-C 115.804 1.779 . . . . 0.0 115.804 -160.506 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 35.4 p-10 -149.08 44.97 0.99 Allowed 'General case' 0 C--N 1.387 2.233 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 172.784 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.184 12.1 m170 -81.29 -162.51 0.51 Allowed 'General case' 0 C--N 1.389 2.308 0 C-N-CA 127.795 2.438 . . . . 0.0 114.514 -175.911 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.352 3.1 mp 69.59 -171.28 0.17 Allowed 'General case' 0 C--N 1.388 2.256 0 C-N-CA 124.979 1.312 . . . . 0.0 113.284 174.927 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.89 -53.47 4.25 Favored Glycine 0 C--N 1.386 3.312 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 -170.575 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.0 m -169.75 -49.16 0.02 OUTLIER 'General case' 0 C--N 1.382 1.982 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 -171.768 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -100.26 130.52 25.76 Favored Pre-proline 0 CA--C 1.579 2.077 0 CA-C-O 118.476 -0.773 . . . . 0.0 110.18 -177.018 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -97.65 -9.39 0.65 Allowed 'Trans proline' 0 C--N 1.412 3.918 0 N-CA-C 118.438 2.438 . . . . 0.0 118.438 -179.359 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -86.67 -16.82 3.56 Favored 'Trans proline' 0 C--N 1.401 3.34 1 N-CA-C 125.015 4.967 . . . . 0.0 125.015 -174.442 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.7 p -79.42 150.43 31.31 Favored 'General case' 0 C--N 1.395 2.55 0 CA-C-N 124.895 3.498 . . . . 0.0 114.913 -173.181 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 61.2 p -142.27 159.23 42.64 Favored 'General case' 0 C--N 1.383 2.04 0 CA-C-N 111.552 -2.567 . . . . 0.0 111.298 -170.47 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -129.42 103.31 6.83 Favored 'General case' 0 C--N 1.386 2.162 0 CA-C-O 123.031 1.396 . . . . 0.0 107.353 -176.102 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 79.2 m -76.43 106.29 7.98 Favored 'General case' 0 C--N 1.392 2.445 0 N-CA-C 102.208 -3.256 . . . . 0.0 102.208 173.481 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.8 t -116.23 153.32 32.08 Favored 'General case' 0 C--N 1.385 2.144 0 O-C-N 121.493 -0.754 . . . . 0.0 111.65 -169.651 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -105.46 26.5 9.38 Favored 'General case' 0 C--N 1.383 2.035 0 C-N-CA 124.47 1.108 . . . . 0.0 111.048 176.338 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.437 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 45.7 mt-10 -110.75 114.92 28.66 Favored 'General case' 0 C--N 1.383 2.023 0 N-CA-C 101.296 -3.594 . . . . 0.0 101.296 171.259 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.175 72.6 m-20 -57.32 1.3 0.04 OUTLIER 'General case' 0 CA--C 1.584 2.281 0 N-CA-C 116.645 2.091 . . . . 0.0 116.645 -171.453 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.2 m -151.54 155.95 39.53 Favored 'General case' 0 C--N 1.381 1.969 0 CA-C-N 121.094 1.77 . . . . 0.0 108.955 -178.734 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.8 p -149.09 153.29 37.57 Favored 'General case' 0 C--N 1.382 2.018 0 C-N-CA 117.611 -1.636 . . . . 0.0 112.526 -177.569 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -112.67 144.07 42.81 Favored 'General case' 0 C--N 1.384 2.078 0 CA-C-O 123.33 1.538 . . . . 0.0 112.612 -162.179 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.45 ' NZ ' ' O ' ' A' ' 58' ' ' ASN . 14.8 mtpp -100.42 115.69 30.63 Favored 'General case' 0 C--N 1.383 2.046 0 N-CA-C 104.484 -2.413 . . . . 0.0 104.484 177.141 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.479 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 2.4 t30 -115.34 123.98 50.11 Favored 'General case' 0 CA--C 1.578 2.039 0 N-CA-C 102.445 -3.169 . . . . 0.0 102.445 -176.291 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -135.43 -6.33 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.405 3.003 0 N-CA-C 117.94 2.57 . . . . 0.0 117.94 -147.064 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.55 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -87.89 -105.46 0.07 Allowed 'General case' 0 CA--C 1.578 2.032 1 C-N-CA 131.991 4.116 . . . . 0.0 106.237 -177.793 . . . . . . . . 4 4 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.0 t 75.18 160.42 0.23 Allowed 'General case' 0 C--N 1.391 2.385 0 C-N-CA 123.952 0.901 . . . . 0.0 111.627 178.874 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -67.13 -35.93 80.8 Favored 'General case' 0 C--N 1.389 2.313 0 O-C-N 121.437 -0.789 . . . . 0.0 112.168 -179.247 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -83.02 -9.53 59.22 Favored 'General case' 0 CA--C 1.568 1.658 0 C-N-CA 129.093 2.957 . . . . 0.0 113.002 -179.072 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 69.97 79.47 0.19 Allowed 'General case' 0 C--N 1.393 2.491 0 CA-C-N 122.28 2.309 . . . . 0.0 105.409 179.259 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 tp -159.35 157.23 3.21 Favored 'Isoleucine or valine' 0 C--N 1.391 2.396 0 C-N-CA 118.308 -1.357 . . . . 0.0 112.138 -173.492 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.2 mt -92.79 112.22 25.77 Favored 'Isoleucine or valine' 0 C--N 1.389 2.285 0 N-CA-C 104.372 -2.455 . . . . 0.0 104.372 170.741 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.61 115.49 3.98 Favored 'General case' 0 C--N 1.382 1.993 0 N-CA-C 100.848 -3.76 . . . . 0.0 100.848 -177.46 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.2 -168.48 2.63 Favored 'General case' 0 C--N 1.388 2.282 0 CA-C-N 113.565 -1.652 . . . . 0.0 113.304 -153.772 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -165.75 -171.25 31.72 Favored Glycine 0 C--N 1.394 3.795 1 C-N-CA 113.417 -4.23 . . . . 0.0 119.335 -176.507 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.437 ' SG ' ' HB2' ' A' ' 19' ' ' GLU . 50.9 t -83.92 116.53 22.83 Favored 'General case' 0 C--N 1.384 2.102 0 CA-C-N 113.241 -1.479 . . . . 0.0 108.649 -174.872 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.25 -95.73 0.1 Allowed Glycine 1 C--N 1.4 4.136 0 C-N-CA 116.832 -2.604 . . . . 0.0 106.865 179.874 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.376 42.7 t 83.61 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.386 2.181 0 CA-C-O 122.236 1.017 . . . . 0.0 109.019 178.448 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -60.34 102.31 0.17 Allowed 'General case' 0 CA--C 1.587 2.399 0 N-CA-C 103.186 -2.894 . . . . 0.0 103.186 179.382 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 69.5 p -107.67 109.17 62.3 Favored Pre-proline 0 C--N 1.398 2.695 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 -171.713 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -91.03 54.78 1.01 Allowed 'Trans proline' 0 C--N 1.397 3.12 0 N-CA-C 107.428 -1.797 . . . . 0.0 107.428 -177.768 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -161.99 94.93 0.95 Allowed 'General case' 0 C--N 1.386 2.177 0 N-CA-C 105.092 -2.188 . . . . 0.0 105.092 -177.793 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -83.71 6.82 72.12 Favored Glycine 0 C--N 1.391 3.637 0 CA-C-O 117.204 -1.887 . . . . 0.0 115.384 -178.936 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -107.29 30.57 6.11 Favored 'General case' 0 C--N 1.383 2.03 0 CA-C-N 121.231 2.516 . . . . 0.0 110.498 176.02 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.4 tpt -157.37 120.2 2.15 Favored Pre-proline 0 C--N 1.378 1.846 0 N-CA-C 104.654 -2.35 . . . . 0.0 104.654 177.526 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.92 112.98 3.67 Favored 'Trans proline' 0 C--N 1.394 2.972 0 N-CA-C 103.877 -3.163 . . . . 0.0 103.877 177.391 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.19 160.41 50.87 Favored Glycine 0 C--N 1.391 3.606 0 O-C-N 120.46 -1.4 . . . . 0.0 114.04 -177.96 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -50.04 146.41 17.31 Favored 'Trans proline' 0 C--N 1.39 2.763 0 N-CA-C 107.223 -1.876 . . . . 0.0 107.223 167.69 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -75.78 155.09 35.81 Favored 'General case' 0 C--N 1.393 2.457 0 CA-C-N 114.52 -1.218 . . . . 0.0 111.353 -178.186 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 2.8 m -118.76 161.57 19.91 Favored 'General case' 0 C--N 1.389 2.289 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 -166.606 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.8 t -141.9 140.17 32.77 Favored 'General case' 0 C--N 1.379 1.886 0 CA-C-N 112.283 -2.235 . . . . 0.0 107.537 174.686 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -130.26 64.11 1.54 Allowed 'General case' 0 C--N 1.375 1.713 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 -176.654 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.0 m -160.0 76.12 0.62 Allowed 'General case' 0 C--N 1.386 2.169 0 N-CA-C 104.901 -2.259 . . . . 0.0 104.901 -175.969 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.557 ' CG ' ' HZ3' ' A' ' 56' ' ' LYS . 21.9 t0 58.38 -148.74 0.47 Allowed 'General case' 0 CA--C 1.589 2.444 0 CA-C-O 123.697 1.713 . . . . 0.0 107.926 177.874 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.557 ' HZ3' ' CG ' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -60.46 -30.32 69.59 Favored 'General case' 0 C--N 1.382 1.989 0 CA-C-N 114.263 -1.335 . . . . 0.0 111.61 179.876 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.4 t 51.37 59.29 4.7 Favored 'General case' 0 C--N 1.387 2.221 0 CA-C-N 121.08 1.764 . . . . 0.0 107.26 177.479 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.45 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 25.6 m120 52.17 71.21 0.48 Allowed 'General case' 0 C--N 1.388 2.247 0 C-N-CA 127.325 2.25 . . . . 0.0 108.785 170.802 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.424 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 18.3 mt . . . . . 0 CA--C 1.587 2.368 0 C-N-CA 129.527 3.131 . . . . 0.0 108.173 173.96 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.467 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 1 N--CA 1.543 4.203 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 . . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -92.55 131.04 40.72 Favored 'Isoleucine or valine' 0 C--N 1.39 2.335 0 CA-C-N 119.379 0.99 . . . . 0.0 109.851 -174.579 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.0 m -136.9 158.17 45.07 Favored 'General case' 0 C--N 1.392 2.421 0 CA-C-O 121.858 0.837 . . . . 0.0 109.121 164.29 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -80.08 161.88 25.1 Favored 'General case' 0 C--N 1.382 2.021 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 -171.176 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -144.74 58.68 1.31 Allowed 'General case' 0 C--N 1.389 2.297 0 N-CA-C 103.215 -2.883 . . . . 0.0 103.215 164.129 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.145 14.5 m170 -108.87 -170.95 1.75 Allowed 'General case' 0 C--N 1.386 2.19 0 C-N-CA 128.458 2.703 . . . . 0.0 113.276 -174.789 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.284 14.9 mt 72.2 -166.62 0.13 Allowed 'General case' 0 C--N 1.38 1.907 0 CA-C-O 123.009 1.385 . . . . 0.0 113.123 174.129 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.33 46.4 93.0 Favored Glycine 0 C--N 1.38 2.983 0 N-CA-C 109.154 -1.578 . . . . 0.0 109.154 -171.978 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.43 HG23 ' HZ3' ' A' ' 10' ' ' LYS . 13.7 m 109.56 -40.33 0.01 OUTLIER 'General case' 0 C--N 1.39 2.344 1 C-N-CA 131.872 4.069 . . . . 0.0 110.835 173.871 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.43 ' HZ3' HG23 ' A' ' 9' ' ' THR . 13.3 mptt -121.3 127.15 26.27 Favored Pre-proline 0 CA--C 1.584 2.272 0 CA-C-N 118.746 0.703 . . . . 0.0 112.249 -170.911 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -96.8 1.06 1.82 Allowed 'Trans proline' 0 C--N 1.407 3.612 0 N-CA-C 118.811 2.581 . . . . 0.0 118.811 -179.385 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -73.37 -17.62 23.85 Favored 'Trans proline' 0 C--N 1.403 3.437 1 N-CA-C 124.513 4.774 . . . . 0.0 124.513 -175.455 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.5 p -100.18 147.46 25.68 Favored 'General case' 0 C--N 1.396 2.605 0 CA-C-N 125.585 3.811 . . . . 0.0 116.136 -176.689 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 41.2 p -138.37 152.15 48.16 Favored 'General case' 0 C--N 1.383 2.032 0 CA-C-N 112.111 -2.313 . . . . 0.0 110.251 176.336 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -109.56 93.88 4.74 Favored 'General case' 0 C--N 1.381 1.94 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 -176.51 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.2 m -68.58 114.41 6.95 Favored 'General case' 0 C--N 1.398 2.682 0 N-CA-C 102.786 -3.042 . . . . 0.0 102.786 169.936 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -118.9 150.79 39.29 Favored 'General case' 0 C--N 1.394 2.542 0 CA-C-O 123.723 1.725 . . . . 0.0 114.884 -166.03 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -94.5 -11.05 30.4 Favored 'General case' 0 CA--C 1.578 2.032 0 CA-C-N 111.757 -2.474 . . . . 0.0 110.997 176.596 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -94.5 127.47 40.44 Favored 'General case' 0 C--N 1.397 2.634 0 N-CA-C 106.292 -1.744 . . . . 0.0 106.292 174.84 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.467 ' OD2' ' N ' ' A' ' 1' ' ' ARG 2.15 73.4 m-20 -62.5 -6.22 3.22 Favored 'General case' 0 C--N 1.389 2.295 0 C-N-CA 129.431 3.092 . . . . 0.0 118.332 -169.712 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.4 m -150.44 152.15 33.85 Favored 'General case' 0 C--N 1.375 1.697 0 CA-C-O 123.258 1.504 . . . . 0.0 108.126 -178.157 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.0 p -136.2 154.24 51.0 Favored 'General case' 0 C--N 1.378 1.81 0 CA-C-N 113.671 -1.604 . . . . 0.0 112.218 -178.057 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -114.13 122.02 45.57 Favored 'General case' 0 C--N 1.38 1.918 0 CA-C-N 113.682 -1.599 . . . . 0.0 108.895 -167.2 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -80.79 128.04 33.2 Favored 'General case' 0 C--N 1.397 2.67 0 CA-C-O 124.481 2.086 . . . . 0.0 105.844 172.987 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -115.89 102.63 9.85 Favored 'General case' 0 CA--C 1.574 1.889 1 N-CA-C 97.193 -5.114 . . . . 0.0 97.193 -179.149 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -111.63 21.75 5.62 Favored 'Isoleucine or valine' 0 C--N 1.388 2.252 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 -159.188 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.503 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -140.7 -88.48 0.17 Allowed 'General case' 0 CA--C 1.568 1.664 0 C-N-CA 131.416 3.886 . . . . 0.0 102.996 -167.678 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.274 11.4 t 79.35 -100.24 0.02 OUTLIER 'General case' 0 C--N 1.387 2.216 0 C-N-CA 126.902 2.081 . . . . 0.0 106.313 173.134 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -153.77 48.59 0.65 Allowed 'General case' 0 C--N 1.393 2.471 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 172.637 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -172.41 -34.07 0.01 OUTLIER 'General case' 0 C--N 1.394 2.534 0 C-N-CA 118.105 -1.438 . . . . 0.0 112.157 -167.007 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 93.59 70.25 0.0 OUTLIER 'General case' 0 C--N 1.386 2.162 0 C-N-CA 127.306 2.243 . . . . 0.0 105.066 -178.438 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 tp -155.56 161.25 2.1 Favored 'Isoleucine or valine' 0 C--N 1.388 2.261 0 C-N-CA 120.356 -0.538 . . . . 0.0 111.18 -173.382 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 25.6 mm -89.23 102.94 13.54 Favored 'Isoleucine or valine' 0 C--N 1.393 2.491 0 N-CA-C 105.375 -2.083 . . . . 0.0 105.375 171.122 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.02 112.9 5.74 Favored 'General case' 0 C--N 1.385 2.117 0 N-CA-C 102.578 -3.119 . . . . 0.0 102.578 178.835 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.36 -175.41 5.2 Favored 'General case' 0 C--N 1.398 2.711 0 C-N-CA 116.766 -1.973 . . . . 0.0 116.25 -154.594 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -124.79 167.2 17.18 Favored Glycine 1 C--N 1.399 4.037 0 N-CA-C 118.679 2.232 . . . . 0.0 118.679 -168.448 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.2 t -110.32 110.6 21.46 Favored 'General case' 0 C--N 1.386 2.178 0 N-CA-C 105.962 -1.866 . . . . 0.0 105.962 176.729 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.56 -72.5 0.03 OUTLIER Glycine 0 C--N 1.392 3.684 0 N-CA-C 105.049 -3.22 . . . . 0.0 105.049 178.201 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.531 ' SG ' ' N ' ' A' ' 40' ' ' PHE 2.394 43.0 t 77.15 -166.35 0.05 Allowed 'General case' 0 C--N 1.387 2.203 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 173.821 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.531 ' N ' ' SG ' ' A' ' 39' ' ' CYS . 9.0 m-85 58.77 46.02 14.78 Favored 'General case' 0 C--N 1.38 1.915 0 CA-C-N 112.822 -1.99 . . . . 0.0 109.307 174.184 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.9 t -114.97 96.36 44.67 Favored Pre-proline 0 C--N 1.395 2.545 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 179.497 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -95.44 70.23 0.21 Allowed 'Trans proline' 0 C--N 1.398 3.158 0 N-CA-C 102.902 -3.538 . . . . 0.0 102.902 174.84 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.7 ttt85 -93.7 134.23 36.24 Favored 'General case' 0 C--N 1.387 2.234 0 CA-C-O 122.644 1.211 . . . . 0.0 110.534 -178.279 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -102.17 -156.28 25.97 Favored Glycine 0 C--N 1.391 3.623 0 C-N-CA 124.233 0.92 . . . . 0.0 112.295 171.97 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.304 5.2 p-10 55.4 47.48 21.13 Favored 'General case' 0 C--N 1.385 2.129 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 177.42 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.9 ttt 82.26 109.78 0.03 OUTLIER Pre-proline 0 C--N 1.393 2.496 0 C-N-CA 127.652 2.381 . . . . 0.0 105.124 -170.663 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -61.47 172.04 3.82 Favored 'Trans proline' 0 C--N 1.402 3.348 0 N-CA-C 120.905 3.386 . . . . 0.0 120.905 -174.026 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.93 175.16 54.88 Favored Glycine 0 C--N 1.391 3.632 0 CA-C-N 113.742 -1.572 . . . . 0.0 114.532 178.482 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -53.02 141.33 57.38 Favored 'Trans proline' 0 C--N 1.402 3.392 0 N-CA-C 104.183 -3.045 . . . . 0.0 104.183 166.27 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -76.97 154.27 33.73 Favored 'General case' 0 C--N 1.385 2.115 0 CA-C-N 114.237 -1.347 . . . . 0.0 111.921 -177.45 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 40.0 m -125.38 142.51 51.46 Favored 'General case' 0 C--N 1.388 2.279 0 CA-C-O 124.172 1.939 . . . . 0.0 114.01 -171.155 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 42.0 t -120.06 161.01 21.68 Favored 'General case' 0 C--N 1.378 1.831 0 CA-C-N 112.54 -2.118 . . . . 0.0 110.197 176.661 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -138.06 55.07 1.78 Allowed 'General case' 0 C--N 1.378 1.805 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.229 -176.237 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 65.4 p -139.8 172.12 13.23 Favored 'General case' 0 C--N 1.384 2.098 0 C-N-CA 122.914 0.486 . . . . 0.0 111.224 176.053 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.431 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 30.3 t0 -68.93 124.41 23.65 Favored 'General case' 0 C--N 1.394 2.502 0 N-CA-C 105.686 -1.968 . . . . 0.0 105.686 174.816 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.431 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 38.9 mmtm 76.09 -63.67 0.38 Allowed 'General case' 0 C--N 1.39 2.336 0 C-N-CA 126.468 1.907 . . . . 0.0 112.833 172.328 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 56.6 m 79.42 27.22 0.38 Allowed 'General case' 0 CA--C 1.581 2.139 0 C-N-CA 126.688 1.995 . . . . 0.0 110.813 -174.217 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.8 t30 62.83 75.97 0.38 Allowed 'General case' 0 C--N 1.392 2.452 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 176.369 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 CA--C 1.591 2.528 0 N-CA-C 105.587 -2.005 . . . . 0.0 105.587 -177.189 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.695 ' H3 ' ' CG ' ' A' ' 20' ' ' ASP . 0.8 OUTLIER . . . . . 0 N--CA 1.53 3.563 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 . . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 68.0 mt -83.93 117.41 29.48 Favored 'Isoleucine or valine' 0 C--N 1.396 2.594 0 N-CA-C 105.063 -2.199 . . . . 0.0 105.063 174.314 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.0 m -140.43 163.45 32.79 Favored 'General case' 0 C--N 1.386 2.195 0 O-C-N 120.799 -1.188 . . . . 0.0 110.525 174.931 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -75.81 151.74 37.44 Favored 'General case' 0 C--N 1.382 1.983 0 C-N-CA 118.957 -1.097 . . . . 0.0 113.387 -170.276 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -145.09 56.12 1.24 Allowed 'General case' 0 C--N 1.386 2.176 0 N-CA-C 102.851 -3.018 . . . . 0.0 102.851 166.638 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.16 7.6 m170 -99.61 -175.63 3.04 Favored 'General case' 0 C--N 1.387 2.226 0 C-N-CA 125.601 1.561 . . . . 0.0 112.556 -178.946 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.4 mp 69.55 176.57 0.27 Allowed 'General case' 0 C--N 1.384 2.075 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 172.761 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.49 58.67 12.17 Favored Glycine 0 C--N 1.387 3.406 0 CA-C-O 117.898 -1.501 . . . . 0.0 110.098 -176.629 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.7 m 117.04 -41.12 0.01 OUTLIER 'General case' 0 C--N 1.393 2.496 0 C-N-CA 129.957 3.303 . . . . 0.0 110.53 174.026 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -144.29 126.76 8.41 Favored Pre-proline 0 CA--C 1.583 2.225 0 CA-C-O 118.929 -0.558 . . . . 0.0 110.668 -172.541 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . 0.271 14.0 Cg_endo -88.1 5.0 5.53 Favored 'Trans proline' 1 CA--C 1.605 4.073 0 N-CA-C 119.657 2.907 . . . . 0.0 119.657 179.599 . . . . . . . . 3 2 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -84.0 -25.02 2.45 Favored 'Trans proline' 0 C--N 1.41 3.808 1 N-CA-C 127.763 6.024 . . . . 0.0 127.763 -176.402 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.6 p -91.82 149.54 21.53 Favored 'General case' 0 C--N 1.396 2.602 0 CA-C-N 125.098 3.59 . . . . 0.0 118.866 -172.315 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.5 p -129.22 137.95 51.41 Favored 'General case' 0 C--N 1.381 1.971 0 CA-C-N 110.7 -2.955 . . . . 0.0 106.064 166.567 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -98.18 116.31 30.14 Favored 'General case' 0 C--N 1.376 1.729 0 CA-C-N 115.148 -0.933 . . . . 0.0 108.55 -171.845 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.8 m -76.95 98.46 4.93 Favored 'General case' 0 C--N 1.392 2.444 0 N-CA-C 102.596 -3.113 . . . . 0.0 102.596 173.501 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.4 t -118.64 151.17 38.43 Favored 'General case' 0 C--N 1.39 2.345 0 CA-C-O 122.571 1.177 . . . . 0.0 112.296 -170.871 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -102.19 63.63 0.9 Allowed 'General case' 0 C--N 1.378 1.846 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 179.614 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -146.01 111.97 5.67 Favored 'General case' 0 CA--C 1.572 1.792 1 N-CA-C 99.949 -4.093 . . . . 0.0 99.949 174.268 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.695 ' CG ' ' H3 ' ' A' ' 1' ' ' ARG 2.12 4.1 m-20 -61.52 4.12 0.11 Allowed 'General case' 0 CA--C 1.585 2.314 0 C-N-CA 128.383 2.673 . . . . 0.0 116.393 -166.911 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.8 t -159.3 157.72 31.06 Favored 'General case' 0 C--N 1.381 1.977 0 CA-C-N 120.919 1.69 . . . . 0.0 107.843 -176.727 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.9 p -149.49 150.36 32.21 Favored 'General case' 0 C--N 1.391 2.395 0 C-N-CA 117.512 -1.675 . . . . 0.0 115.222 -176.373 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -118.16 149.99 40.14 Favored 'General case' 0 C--N 1.386 2.158 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 -163.846 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.589 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 43.6 mttm -100.11 115.64 30.27 Favored 'General case' 0 C--N 1.388 2.255 0 N-CA-C 105.137 -2.172 . . . . 0.0 105.137 -177.613 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.589 ' HA ' ' HE1' ' A' ' 27' ' ' TRP . 0.4 OUTLIER -113.16 115.93 29.03 Favored 'General case' 0 CA--C 1.58 2.104 0 N-CA-C 101.313 -3.588 . . . . 0.0 101.313 -177.406 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.01 42.72 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.388 2.275 0 CA-C-O 123.413 1.578 . . . . 0.0 111.78 -165.747 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.589 ' HE1' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -148.81 -83.27 0.11 Allowed 'General case' 0 C--N 1.371 1.535 0 N-CA-C 103.952 -2.61 . . . . 0.0 103.952 -168.47 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.261 10.2 t 70.87 -90.04 0.03 OUTLIER 'General case' 0 CA--C 1.583 2.222 0 N-CA-C 104.911 -2.255 . . . . 0.0 104.911 -175.424 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -179.51 -47.71 0.01 OUTLIER 'General case' 0 C--N 1.384 2.088 0 N-CA-C 103.977 -2.601 . . . . 0.0 103.977 -177.043 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -64.93 -2.96 2.96 Favored 'General case' 0 CA--C 1.584 2.264 0 C-N-CA 130.191 3.396 . . . . 0.0 112.636 170.472 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 70.71 73.38 0.2 Allowed 'General case' 0 C--N 1.395 2.563 0 CA-C-N 122.181 2.264 . . . . 0.0 108.262 173.039 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.7 tp -163.03 162.03 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.394 2.523 0 C-N-CA 118.106 -1.438 . . . . 0.0 113.601 -174.291 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.3 mt -91.96 97.22 6.98 Favored 'Isoleucine or valine' 0 C--N 1.389 2.308 0 N-CA-C 105.068 -2.197 . . . . 0.0 105.068 174.185 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.0 ttp85 -146.02 120.66 9.8 Favored 'General case' 0 C--N 1.384 2.098 0 N-CA-C 101.813 -3.403 . . . . 0.0 101.813 -179.476 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -150.63 -169.43 3.38 Favored 'General case' 0 C--N 1.385 2.125 0 CA-C-N 113.75 -1.568 . . . . 0.0 113.418 -153.937 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -168.15 -176.76 38.86 Favored Glycine 0 C--N 1.396 3.877 1 C-N-CA 112.771 -4.537 . . . . 0.0 119.382 -172.583 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.8 p -94.05 119.4 32.86 Favored 'General case' 0 C--N 1.387 2.239 0 CA-C-N 114.168 -1.016 . . . . 0.0 110.358 -178.251 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.18 -88.67 0.07 OUTLIER Glycine 0 C--N 1.395 3.835 0 N-CA-C 106.001 -2.84 . . . . 0.0 106.001 172.561 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.361 43.5 t 87.24 -56.25 0.04 OUTLIER 'General case' 0 C--N 1.383 2.042 0 CA-C-N 113.164 -1.518 . . . . 0.0 111.251 176.101 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -80.28 77.96 6.99 Favored 'General case' 0 CA--C 1.581 2.138 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 -169.828 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 75.8 p -96.03 134.89 23.18 Favored Pre-proline 0 C--N 1.394 2.524 0 C-N-CA 124.44 1.096 . . . . 0.0 109.79 -176.675 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -63.94 144.82 89.04 Favored 'Trans proline' 0 C--N 1.398 3.174 0 C-N-CA 120.91 1.073 . . . . 0.0 112.516 174.783 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -88.57 82.4 6.91 Favored 'General case' 0 C--N 1.393 2.463 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 -178.146 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -112.07 37.63 3.6 Favored Glycine 0 C--N 1.39 3.547 0 CA-C-O 119.134 -0.814 . . . . 0.0 111.552 174.246 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.305 7.0 m-20 59.58 41.07 19.49 Favored 'General case' 0 C--N 1.384 2.108 0 C-N-CA 124.942 1.297 . . . . 0.0 108.649 -178.873 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.2 tpt -123.19 93.13 48.43 Favored Pre-proline 0 C--N 1.386 2.169 0 N-CA-C 101.651 -3.463 . . . . 0.0 101.651 174.239 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -68.31 109.13 1.93 Allowed 'Trans proline' 0 C--N 1.396 3.036 0 N-CA-C 106.429 -2.181 . . . . 0.0 106.429 178.807 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.42 168.11 54.01 Favored Glycine 0 C--N 1.391 3.631 0 O-C-N 120.488 -1.383 . . . . 0.0 111.334 178.144 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -51.26 155.67 6.4 Favored 'Trans proline' 0 C--N 1.386 2.513 0 C-N-CA 121.614 1.543 . . . . 0.0 111.603 170.359 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -79.84 138.81 37.29 Favored 'General case' 0 CA--C 1.575 1.92 0 CA-C-N 114.0 -1.455 . . . . 0.0 110.136 -177.662 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 4.3 m -119.21 161.96 19.49 Favored 'General case' 0 C--N 1.399 2.745 0 N-CA-C 118.782 2.882 . . . . 0.0 118.782 -163.953 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.6 t -138.03 150.57 47.06 Favored 'General case' 0 C--N 1.387 2.213 0 CA-C-N 113.743 -1.572 . . . . 0.0 111.009 177.897 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.55 53.01 1.0 Allowed 'General case' 0 C--N 1.379 1.854 0 O-C-N 121.436 -0.79 . . . . 0.0 109.033 -174.753 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.1 t -147.38 151.44 36.51 Favored 'General case' 0 C--N 1.382 1.999 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.541 -173.318 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -60.42 126.61 28.13 Favored 'General case' 0 C--N 1.398 2.711 0 N-CA-C 105.36 -2.089 . . . . 0.0 105.36 179.805 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm 72.43 -72.07 0.12 Allowed 'General case' 0 C--N 1.388 2.248 0 C-N-CA 125.716 1.606 . . . . 0.0 109.568 178.896 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.268 30.3 t 78.92 31.08 0.32 Allowed 'General case' 0 CA--C 1.576 1.98 0 C-N-CA 127.322 2.249 . . . . 0.0 109.759 -178.281 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 64.8 t30 60.56 72.86 0.5 Allowed 'General case' 0 C--N 1.394 2.522 0 N-CA-C 106.147 -1.797 . . . . 0.0 106.147 176.174 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.589 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 20.6 mt . . . . . 0 CA--C 1.602 2.967 0 C-N-CA 126.304 1.842 . . . . 0.0 108.489 -179.281 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.443 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.9 OUTLIER . . . . . 0 N--CA 1.536 3.841 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 . . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.1 mt -79.29 125.59 38.62 Favored 'Isoleucine or valine' 0 C--N 1.392 2.422 0 CA-C-O 122.682 1.229 . . . . 0.0 108.601 -179.774 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.6 m -142.74 151.11 40.94 Favored 'General case' 0 C--N 1.387 2.21 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 162.672 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -92.4 157.72 16.45 Favored 'General case' 0 C--N 1.387 2.199 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -168.814 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.4 p30 -128.17 22.73 6.1 Favored 'General case' 0 C--N 1.384 2.066 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -177.553 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.22 2.3 m-70 -75.55 -169.99 1.16 Allowed 'General case' 0 C--N 1.39 2.333 0 N-CA-C 115.493 1.664 . . . . 0.0 115.493 -168.98 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.0 mt 72.9 -168.99 0.13 Allowed 'General case' 0 C--N 1.393 2.467 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 171.157 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.22 -51.1 2.77 Favored Glycine 0 C--N 1.384 3.241 0 CA-C-N 114.518 -1.219 . . . . 0.0 110.265 -172.202 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 55.4 m -172.94 -48.96 0.02 OUTLIER 'General case' 0 C--N 1.38 1.908 0 N-CA-C 105.09 -2.189 . . . . 0.0 105.09 -178.824 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -76.84 151.41 82.24 Favored Pre-proline 0 C--N 1.393 2.489 0 C-N-CA 119.489 -0.885 . . . . 0.0 112.095 -178.693 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -61.7 172.44 3.68 Favored 'Trans proline' 0 C--N 1.402 3.366 0 C-N-CA 122.568 2.179 . . . . 0.0 115.392 -179.285 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_exo -52.41 145.76 35.38 Favored 'Trans proline' 0 C--N 1.395 2.995 0 C-N-CA 122.788 2.325 . . . . 0.0 116.54 -179.236 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.0 m -168.55 155.92 7.72 Favored 'General case' 0 C--N 1.387 2.231 0 CA-C-N 113.394 -1.73 . . . . 0.0 106.92 -178.821 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.5 p -143.62 155.63 44.32 Favored 'General case' 0 C--N 1.384 2.086 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -164.383 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -119.24 120.16 36.2 Favored 'General case' 0 C--N 1.386 2.177 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 177.658 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 47.7 m -95.23 90.1 5.74 Favored 'General case' 0 C--N 1.388 2.254 0 N-CA-C 100.954 -3.721 . . . . 0.0 100.954 175.588 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 1' ' ' ARG . 44.5 t -118.49 162.69 17.94 Favored 'General case' 0 C--N 1.386 2.191 0 CA-C-O 122.591 1.186 . . . . 0.0 114.143 -164.365 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -101.42 1.02 37.89 Favored 'General case' 0 C--N 1.376 1.727 0 CA-C-N 113.526 -1.67 . . . . 0.0 112.992 -177.691 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -77.3 115.67 17.27 Favored 'General case' 0 C--N 1.399 2.73 0 N-CA-C 104.781 -2.303 . . . . 0.0 104.781 176.544 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.192 67.4 m-20 -60.85 -12.77 12.0 Favored 'General case' 0 C--N 1.388 2.243 0 C-N-CA 126.515 1.926 . . . . 0.0 115.686 -169.407 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.6 t -127.34 122.12 32.88 Favored 'General case' 0 C--N 1.379 1.849 0 N-CA-C 104.158 -2.534 . . . . 0.0 104.158 177.816 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.387 18.3 p -121.23 146.23 47.02 Favored 'General case' 0 C--N 1.388 2.26 0 CA-C-O 123.117 1.437 . . . . 0.0 111.551 179.581 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -124.48 160.69 27.69 Favored 'General case' 0 C--N 1.386 2.157 0 N-CA-C 116.103 1.89 . . . . 0.0 116.103 -158.062 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.616 ' HZ1' ' C ' ' A' ' 59' ' ' LEU . 68.4 mmtt -107.23 124.88 50.39 Favored 'General case' 0 C--N 1.386 2.193 0 CA-C-N 112.236 -2.256 . . . . 0.0 107.549 175.814 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -119.54 108.31 14.36 Favored 'General case' 0 CA--C 1.572 1.822 0 N-CA-C 101.532 -3.507 . . . . 0.0 101.532 177.32 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -123.84 -31.3 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.398 2.688 0 N-CA-C 117.674 2.472 . . . . 0.0 117.674 -155.819 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.569 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -56.94 -106.05 0.0 OUTLIER 'General case' 0 CA--C 1.596 2.725 0 C-N-CA 131.402 3.881 . . . . 0.0 106.715 168.848 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.6 t 71.8 158.61 0.2 Allowed 'General case' 0 C--N 1.393 2.457 0 CA-C-O 123.518 1.628 . . . . 0.0 112.9 177.41 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -67.02 -35.42 79.89 Favored 'General case' 0 C--N 1.386 2.179 0 CA-C-N 114.408 -1.269 . . . . 0.0 111.451 175.488 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . 0.259 16.9 p30 -86.27 9.42 17.81 Favored 'General case' 0 CA--C 1.582 2.187 0 C-N-CA 126.293 1.837 . . . . 0.0 113.0 -178.405 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.7 t30 58.04 65.36 1.31 Allowed 'General case' 0 C--N 1.399 2.72 0 CA-C-N 121.397 1.908 . . . . 0.0 106.049 173.001 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 tp -163.07 158.08 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.396 2.625 0 C-N-CA 115.45 -2.5 . . . . 0.0 114.681 -167.262 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -103.72 89.11 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.386 2.156 0 N-CA-C 104.67 -2.345 . . . . 0.0 104.67 -177.664 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.1 ttp85 -126.66 108.14 10.82 Favored 'General case' 0 C--N 1.382 2.02 0 N-CA-C 103.694 -2.706 . . . . 0.0 103.694 -175.601 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.0 -159.53 1.03 Allowed 'General case' 0 C--N 1.396 2.619 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -157.562 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 169.03 -166.26 39.56 Favored Glycine 0 C--N 1.394 3.76 0 C-N-CA 114.759 -3.591 . . . . 0.0 118.258 -175.228 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.4 p -87.57 126.09 34.73 Favored 'General case' 0 C--N 1.391 2.371 0 CA-C-O 121.749 0.785 . . . . 0.0 109.967 177.522 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.68 -87.61 0.07 OUTLIER Glycine 0 C--N 1.396 3.872 0 N-CA-C 105.491 -3.043 . . . . 0.0 105.491 175.876 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 40' ' ' PHE 2.454 52.8 t 64.95 -163.79 0.25 Allowed 'General case' 0 C--N 1.383 2.038 0 N-CA-C 116.064 1.875 . . . . 0.0 116.064 172.875 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 40' ' ' PHE . . . . . 0.462 ' N ' ' SG ' ' A' ' 39' ' ' CYS 0.264 27.5 m-85 60.05 40.87 18.09 Favored 'General case' 0 C--N 1.38 1.894 0 CA-C-N 112.081 -2.327 . . . . 0.0 109.302 -177.434 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.1 t -116.26 101.47 53.82 Favored Pre-proline 0 C--N 1.389 2.32 0 N-CA-C 102.801 -3.037 . . . . 0.0 102.801 173.464 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -79.31 85.72 1.8 Allowed 'Trans proline' 0 C--N 1.4 3.259 0 N-CA-C 105.501 -2.538 . . . . 0.0 105.501 -179.448 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -92.51 145.98 24.03 Favored 'General case' 0 C--N 1.387 2.204 0 CA-C-N 114.986 -1.006 . . . . 0.0 112.621 -177.907 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.61 -84.62 1.11 Allowed Glycine 0 C--N 1.392 3.676 1 N-CA-C 102.814 -4.114 . . . . 0.0 102.814 171.305 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.325 1.4 t70 -141.49 67.52 1.34 Allowed 'General case' 0 C--N 1.391 2.383 0 N-CA-C 102.484 -3.154 . . . . 0.0 102.484 158.935 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.3 ptm -112.97 178.19 1.02 Allowed Pre-proline 0 C--N 1.387 2.206 0 CA-C-N 113.241 -1.799 . . . . 0.0 111.472 -179.443 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -58.2 137.18 79.29 Favored 'Trans proline' 0 C--N 1.393 2.913 0 CA-C-O 122.915 1.131 . . . . 0.0 113.274 -177.027 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 124.54 154.32 8.82 Favored Glycine 0 C--N 1.391 3.595 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.686 -178.281 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -67.37 163.25 35.32 Favored 'Trans proline' 0 C--N 1.387 2.564 0 N-CA-C 115.163 1.178 . . . . 0.0 115.163 176.149 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . 0.287 11.3 p90 -90.14 136.43 33.06 Favored 'General case' 0 C--N 1.385 2.114 0 N-CA-C 106.711 -1.588 . . . . 0.0 106.711 176.6 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 4.0 m -115.37 164.23 14.56 Favored 'General case' 0 C--N 1.389 2.307 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 -164.214 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.9 t -141.73 159.02 43.09 Favored 'General case' 0 C--N 1.38 1.929 0 CA-C-N 113.877 -1.51 . . . . 0.0 110.344 -174.869 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -124.75 64.14 1.12 Allowed 'General case' 0 C--N 1.383 2.022 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 177.866 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.4 m -160.5 170.75 20.29 Favored 'General case' 0 C--N 1.387 2.224 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.935 177.606 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.738 ' CG ' ' HZ1' ' A' ' 56' ' ' LYS . 26.2 t0 -78.95 108.4 12.39 Favored 'General case' 0 CA--C 1.587 2.387 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 -178.783 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.738 ' HZ1' ' CG ' ' A' ' 55' ' ' ASP 0.307 8.8 mptt 78.98 -55.64 0.45 Allowed 'General case' 0 C--N 1.396 2.611 0 C-N-CA 127.98 2.512 . . . . 0.0 114.554 176.473 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 38.4 m 67.33 45.3 1.65 Allowed 'General case' 0 CA--C 1.587 2.372 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -177.325 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.428 ' C ' ' HZ3' ' A' ' 24' ' ' LYS . 7.6 t30 70.51 79.24 0.18 Allowed 'General case' 0 C--N 1.394 2.504 0 N-CA-C 105.907 -1.886 . . . . 0.0 105.907 -179.916 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.616 ' C ' ' HZ1' ' A' ' 24' ' ' LYS . 1.6 mm? . . . . . 0 CA--C 1.597 2.76 0 C-N-CA 126.813 2.045 . . . . 0.0 110.152 175.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.511 HH12 ' CG ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 1 N--CA 1.541 4.084 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 . . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 73.1 mt -121.78 127.78 75.56 Favored 'Isoleucine or valine' 0 C--N 1.383 2.064 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.9 m -144.0 134.55 24.81 Favored 'General case' 0 C--N 1.383 2.05 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -78.81 154.23 30.05 Favored 'General case' 0 C--N 1.386 2.193 0 O-C-N 120.161 -1.587 . . . . 0.0 111.546 -169.529 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -139.69 59.78 1.58 Allowed 'General case' 0 C--N 1.386 2.188 0 N-CA-C 103.936 -2.616 . . . . 0.0 103.936 172.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.199 18.2 m170 -102.63 -166.35 1.27 Allowed 'General case' 0 C--N 1.385 2.145 0 C-N-CA 128.002 2.521 . . . . 0.0 112.714 -178.396 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.525 ' H ' ' HA ' ' A' ' 11' ' ' PRO 0.37 84.9 mt 68.39 -174.89 0.19 Allowed 'General case' 0 C--N 1.384 2.075 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 171.41 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.31 -40.26 2.98 Favored Glycine 0 C--N 1.389 3.512 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.099 -166.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.9 m -179.88 -42.58 0.01 OUTLIER 'General case' 0 C--N 1.384 2.087 0 C-N-CA 126.519 1.928 . . . . 0.0 106.065 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -103.3 100.85 19.43 Favored Pre-proline 0 CA--C 1.583 2.216 0 C-N-CA 124.985 1.314 . . . . 0.0 107.934 -171.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.525 ' HA ' ' H ' ' A' ' 7' ' ' LEU 0.293 38.1 Cg_endo -91.83 6.17 3.53 Favored 'Trans proline' 0 C--N 1.409 3.749 0 N-CA-C 120.956 3.406 . . . . 0.0 120.956 -175.528 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -82.8 -22.41 4.39 Favored 'Trans proline' 0 C--N 1.404 3.486 1 N-CA-C 124.145 4.633 . . . . 0.0 124.145 -176.593 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.0 p -85.86 146.33 26.79 Favored 'General case' 0 C--N 1.396 2.627 0 CA-C-N 124.331 3.241 . . . . 0.0 114.891 -173.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 70.4 p -135.08 138.22 43.62 Favored 'General case' 0 C--N 1.381 1.948 0 CA-C-N 113.162 -1.836 . . . . 0.0 108.042 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -96.4 101.37 12.99 Favored 'General case' 0 C--N 1.38 1.906 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 -173.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 60.2 m -82.6 85.79 6.93 Favored 'General case' 0 C--N 1.385 2.122 0 N-CA-C 100.248 -3.982 . . . . 0.0 100.248 173.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.6 t -117.22 156.81 27.09 Favored 'General case' 0 C--N 1.389 2.285 0 CA-C-O 123.632 1.682 . . . . 0.0 113.79 -162.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -97.23 5.28 50.33 Favored 'General case' 0 C--N 1.378 1.841 0 CA-C-N 112.862 -1.972 . . . . 0.0 114.47 -172.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -80.56 146.07 31.45 Favored 'General case' 0 C--N 1.391 2.396 0 CA-C-N 122.124 2.238 . . . . 0.0 110.922 -177.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.511 ' CG ' HH12 ' A' ' 1' ' ' ARG 2.047 1.6 m-20 -57.96 -3.94 0.27 Allowed 'General case' 0 C--N 1.39 2.338 0 C-N-CA 130.398 3.479 . . . . 0.0 113.273 176.835 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.4 t -161.58 146.22 13.18 Favored 'General case' 0 C--N 1.383 2.057 0 O-C-N 120.418 -1.426 . . . . 0.0 108.792 -177.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.2 p -138.9 156.4 47.31 Favored 'General case' 0 C--N 1.389 2.298 0 CA-C-O 122.969 1.366 . . . . 0.0 111.511 170.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -119.83 149.13 42.57 Favored 'General case' 0 C--N 1.375 1.682 0 CA-C-N 113.423 -1.717 . . . . 0.0 113.558 -170.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -111.88 109.93 19.99 Favored 'General case' 0 C--N 1.386 2.18 0 N-CA-C 103.916 -2.624 . . . . 0.0 103.916 176.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.588 ' HA ' ' HE1' ' A' ' 27' ' ' TRP . 19.4 t-20 -115.27 116.83 28.97 Favored 'General case' 0 CA--C 1.584 2.266 0 N-CA-C 103.718 -2.697 . . . . 0.0 103.718 -176.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.69 7.33 6.24 Favored 'Isoleucine or valine' 0 C--N 1.391 2.373 0 N-CA-C 115.945 1.831 . . . . 0.0 115.945 -165.019 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.588 ' HE1' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -117.86 -83.69 0.64 Allowed 'General case' 0 CA--C 1.574 1.878 0 C-N-CA 131.557 3.943 . . . . 0.0 105.051 -167.284 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.282 14.4 t 73.74 -81.31 0.03 OUTLIER 'General case' 0 C--N 1.386 2.181 0 C-N-CA 127.58 2.352 . . . . 0.0 108.084 179.079 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -179.7 -55.72 0.01 OUTLIER 'General case' 0 C--N 1.386 2.171 0 N-CA-C 105.164 -2.161 . . . . 0.0 105.164 -174.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -69.27 9.24 0.46 Allowed 'General case' 0 CA--C 1.578 2.042 0 C-N-CA 130.587 3.555 . . . . 0.0 112.342 174.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 59.51 66.34 1.03 Allowed 'General case' 0 C--N 1.391 2.408 0 C-N-CA 126.471 1.908 . . . . 0.0 106.084 175.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 tp -149.66 164.77 3.6 Favored 'Isoleucine or valine' 0 C--N 1.392 2.426 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -171.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.9 mp -104.53 95.61 3.95 Favored 'Isoleucine or valine' 0 C--N 1.386 2.184 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.84 118.6 11.71 Favored 'General case' 0 C--N 1.385 2.115 0 N-CA-C 104.619 -2.363 . . . . 0.0 104.619 -175.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -152.57 -171.02 3.8 Favored 'General case' 0 C--N 1.39 2.345 0 C-N-CA 118.834 -1.147 . . . . 0.0 113.654 -158.57 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -179.71 176.19 47.39 Favored Glycine 0 C--N 1.394 3.801 1 C-N-CA 113.521 -4.18 . . . . 0.0 118.953 -173.697 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.0 p -82.82 101.68 11.12 Favored 'General case' 0 C--N 1.389 2.3 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 177.054 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.52 -117.99 0.45 Allowed Glycine 0 C--N 1.396 3.869 0 N-CA-C 107.221 -2.351 . . . . 0.0 107.221 177.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.398 14.2 t 83.01 -126.27 0.01 OUTLIER 'General case' 0 C--N 1.385 2.151 0 O-C-N 121.418 -1.048 . . . . 0.0 110.736 173.698 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 . . . . . 0 C--N 1.387 2.234 0 O-C-N 121.256 -0.902 . . . . 0.0 110.773 -179.66 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 2.543 0 CA-C-O 122.004 0.78 . . . . 0.0 113.644 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -79.32 170.13 17.89 Favored 'Trans proline' 0 C--N 1.383 2.391 0 C-N-CA 123.83 3.02 . . . . 0.0 110.527 173.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . 0.276 0.4 OUTLIER -72.58 129.73 38.95 Favored 'General case' 0 C--N 1.396 2.59 0 C-N-CA 116.051 -2.26 . . . . 0.0 105.701 178.342 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.4 m -123.35 127.82 49.03 Favored 'General case' 0 C--N 1.391 2.402 0 CA-C-O 122.858 1.313 . . . . 0.0 108.894 -172.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 45.5 t -123.93 173.52 8.16 Favored 'General case' 0 C--N 1.382 2.02 0 C-N-CA 126.168 1.787 . . . . 0.0 113.183 -173.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -131.12 56.28 1.81 Allowed 'General case' 0 C--N 1.385 2.12 0 CA-C-O 122.103 0.954 . . . . 0.0 109.582 -178.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.0 t -150.29 155.57 39.92 Favored 'General case' 0 C--N 1.383 2.035 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.36 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.575 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 17.0 t70 -64.54 129.17 38.85 Favored 'General case' 0 C--N 1.388 2.253 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 177.205 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.575 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.256 36.9 mmtm 72.21 -68.0 0.24 Allowed 'General case' 0 C--N 1.394 2.536 0 C-N-CA 128.087 2.555 . . . . 0.0 107.944 -175.588 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.295 42.4 t 62.11 65.83 0.86 Allowed 'General case' 0 C--N 1.378 1.842 0 C-N-CA 127.155 2.182 . . . . 0.0 106.319 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.4 t30 77.12 60.28 0.04 OUTLIER 'General case' 0 C--N 1.389 2.303 0 C-N-CA 126.144 1.778 . . . . 0.0 111.094 168.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . 0.268 19.3 tp . . . . . 0 CA--C 1.581 2.164 0 C-N-CA 129.061 2.944 . . . . 0.0 107.407 174.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.48 ' HG2' HH11 ' A' ' 1' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.531 3.592 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -92.25 132.03 37.7 Favored 'Isoleucine or valine' 0 C--N 1.389 2.287 0 CA-C-O 122.407 1.099 . . . . 0.0 109.434 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 83.0 m -143.86 151.41 39.84 Favored 'General case' 0 C--N 1.386 2.169 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 163.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.5 m-30 -92.82 166.22 12.53 Favored 'General case' 0 C--N 1.387 2.217 0 C-N-CA 118.048 -1.461 . . . . 0.0 112.893 -171.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -142.06 52.28 1.48 Allowed 'General case' 0 C--N 1.38 1.925 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 171.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.176 8.8 m170 -81.78 -160.91 0.39 Allowed 'General case' 0 C--N 1.386 2.176 0 C-N-CA 126.616 1.967 . . . . 0.0 110.967 173.059 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.277 63.0 mt 64.66 -164.74 0.24 Allowed 'General case' 0 C--N 1.385 2.117 0 CA-C-O 123.123 1.44 . . . . 0.0 113.015 170.604 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.37 -55.36 4.51 Favored Glycine 0 C--N 1.384 3.244 0 N-CA-C 107.593 -2.203 . . . . 0.0 107.593 -166.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.0 m -168.98 -43.79 0.02 OUTLIER 'General case' 0 C--N 1.381 1.978 0 N-CA-C 107.378 -1.341 . . . . 0.0 107.378 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -86.9 156.15 55.34 Favored Pre-proline 0 C--N 1.388 2.25 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 -168.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -55.05 161.98 5.93 Favored 'Trans proline' 0 C--N 1.402 3.377 0 C-N-CA 123.626 2.884 . . . . 0.0 117.653 -178.206 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -50.01 136.25 36.87 Favored 'Trans proline' 0 C--N 1.396 3.043 0 C-N-CA 123.981 3.121 . . . . 0.0 116.21 -177.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.31 47.0 p -160.41 137.94 9.52 Favored 'General case' 0 C--N 1.392 2.455 0 N-CA-C 104.713 -2.329 . . . . 0.0 104.713 177.405 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.8 p -125.92 157.66 37.14 Favored 'General case' 0 C--N 1.388 2.262 0 N-CA-C 114.914 1.449 . . . . 0.0 114.914 -163.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -117.39 94.47 4.57 Favored 'General case' 0 C--N 1.39 2.368 0 N-CA-C 106.884 -1.525 . . . . 0.0 106.884 -174.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.6 m -77.1 107.04 9.18 Favored 'General case' 0 C--N 1.389 2.312 0 N-CA-C 102.346 -3.205 . . . . 0.0 102.346 172.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.5 t -118.44 152.98 34.87 Favored 'General case' 0 C--N 1.393 2.492 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -168.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -96.82 -21.12 17.71 Favored 'General case' 0 C--N 1.387 2.208 0 CA-C-N 114.664 -1.153 . . . . 0.0 112.909 177.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -64.34 125.57 25.04 Favored 'General case' 0 C--N 1.395 2.579 0 N-CA-C 103.655 -2.72 . . . . 0.0 103.655 173.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.15 40.5 m-20 -64.38 9.9 0.07 Allowed 'General case' 0 C--N 1.39 2.343 0 C-N-CA 127.227 2.211 . . . . 0.0 114.844 -169.437 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.9 t -153.62 143.6 22.04 Favored 'General case' 0 C--N 1.386 2.161 0 CA-C-N 120.482 1.492 . . . . 0.0 107.999 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.9 p -146.61 165.12 30.47 Favored 'General case' 0 C--N 1.381 1.956 0 CA-C-N 114.905 -1.043 . . . . 0.0 112.012 176.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -147.15 161.82 40.11 Favored 'General case' 0 C--N 1.388 2.275 0 N-CA-C 116.388 1.995 . . . . 0.0 116.388 -161.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.8 mmtt -107.15 118.83 37.75 Favored 'General case' 0 C--N 1.385 2.115 0 CA-C-N 111.312 -2.676 . . . . 0.0 106.732 -177.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.595 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 20.6 t-20 -119.29 128.88 54.55 Favored 'General case' 0 CA--C 1.583 2.225 0 N-CA-C 103.898 -2.63 . . . . 0.0 103.898 -175.047 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.38 -40.71 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.402 2.876 0 N-CA-C 116.532 2.049 . . . . 0.0 116.532 -149.135 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.595 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -52.07 -93.73 0.0 OUTLIER 'General case' 0 CA--C 1.578 2.045 0 C-N-CA 130.934 3.693 . . . . 0.0 107.508 169.069 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.8 t 78.8 -19.49 0.44 Allowed 'General case' 0 C--N 1.389 2.321 0 C-N-CA 125.029 1.332 . . . . 0.0 112.69 172.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . 0.316 62.1 m-85 84.72 -51.54 0.1 Allowed 'General case' 0 C--N 1.39 2.327 0 C-N-CA 126.476 1.91 . . . . 0.0 107.912 -174.063 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -68.8 -11.29 60.24 Favored 'General case' 0 CA--C 1.577 1.982 0 CA-C-O 117.009 -1.472 . . . . 0.0 110.899 172.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 70.43 76.17 0.2 Allowed 'General case' 0 C--N 1.396 2.606 0 CA-C-N 122.435 2.379 . . . . 0.0 106.915 174.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 tp -162.01 164.54 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.392 2.438 0 C-N-CA 117.433 -1.707 . . . . 0.0 113.354 -176.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.0 mm -91.07 87.99 2.74 Favored 'Isoleucine or valine' 0 C--N 1.384 2.079 0 N-CA-C 104.23 -2.507 . . . . 0.0 104.23 177.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.01 131.57 23.92 Favored 'General case' 0 C--N 1.386 2.165 0 N-CA-C 104.137 -2.542 . . . . 0.0 104.137 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.503 ' HG2' HH11 ' A' ' 35' ' ' ARG . 1.1 ptt-85 -171.46 -162.12 0.22 Allowed 'General case' 0 C--N 1.407 3.073 0 C-N-CA 116.29 -2.164 . . . . 0.0 113.302 -142.418 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -172.69 179.74 43.99 Favored Glycine 1 C--N 1.399 4.067 1 C-N-CA 113.532 -4.175 . . . . 0.0 120.979 -173.835 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 44.1 t -96.65 108.96 21.67 Favored 'General case' 0 C--N 1.388 2.25 0 CA-C-N 113.369 -1.416 . . . . 0.0 107.621 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.95 -78.35 0.04 OUTLIER Glycine 0 C--N 1.395 3.83 0 N-CA-C 105.91 -2.876 . . . . 0.0 105.91 176.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.36 46.1 t 69.7 -156.89 0.15 Allowed 'General case' 0 C--N 1.39 2.328 0 CA-C-O 123.037 1.398 . . . . 0.0 113.299 176.227 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 . . . . . 0 C--N 1.381 1.944 0 CA-C-N 113.335 -1.757 . . . . 0.0 108.977 177.078 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.568 3.4 0 N-CA-C 112.368 -0.293 . . . . 0.0 112.368 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -70.89 -171.46 0.57 Allowed 'Trans proline' 0 C--N 1.392 2.868 0 C-N-CA 124.04 3.16 . . . . 0.0 110.501 172.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -109.19 131.18 55.31 Favored 'General case' 0 C--N 1.388 2.263 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 177.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.4 m -118.72 170.39 9.03 Favored 'General case' 0 C--N 1.396 2.599 0 N-CA-C 117.81 2.522 . . . . 0.0 117.81 -167.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.4 t -140.48 160.71 39.4 Favored 'General case' 0 C--N 1.382 1.99 0 CA-C-N 112.329 -2.214 . . . . 0.0 110.375 176.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -135.45 54.04 1.94 Allowed 'General case' 0 C--N 1.384 2.082 0 N-CA-C 106.614 -1.624 . . . . 0.0 106.614 170.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.7 t -152.58 157.38 40.94 Favored 'General case' 0 C--N 1.381 1.956 0 C-N-CA 127.064 2.145 . . . . 0.0 107.35 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.536 ' CG ' ' NZ ' ' A' ' 56' ' ' LYS . 24.7 p-10 -74.89 141.5 44.16 Favored 'General case' 0 C--N 1.393 2.474 0 C-N-CA 116.21 -2.196 . . . . 0.0 110.21 -177.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.536 ' NZ ' ' CG ' ' A' ' 55' ' ' ASP 0.296 3.0 mppt? 75.87 -89.54 0.02 OUTLIER 'General case' 0 C--N 1.388 2.277 0 C-N-CA 125.535 1.534 . . . . 0.0 109.88 177.442 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 11.4 m 79.71 -41.34 0.23 Allowed 'General case' 0 C--N 1.385 2.137 0 C-N-CA 127.685 2.394 . . . . 0.0 112.691 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -172.52 72.52 0.04 OUTLIER 'General case' 0 C--N 1.388 2.277 0 N-CA-C 101.782 -3.414 . . . . 0.0 101.782 -178.23 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . 0.255 7.4 mp . . . . . 0 CA--C 1.594 2.652 0 N-CA-C 105.579 -2.008 . . . . 0.0 105.579 -171.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.486 HH21 ' CG ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.539 3.989 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 54.9 mt -90.63 123.8 42.95 Favored 'Isoleucine or valine' 0 C--N 1.391 2.41 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.4 m -137.36 147.4 45.49 Favored 'General case' 0 C--N 1.388 2.278 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 173.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -85.32 167.67 15.38 Favored 'General case' 0 C--N 1.388 2.242 0 N-CA-C 115.085 1.513 . . . . 0.0 115.085 -164.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -146.36 54.32 1.13 Allowed 'General case' 0 C--N 1.387 2.231 0 N-CA-C 104.798 -2.297 . . . . 0.0 104.798 177.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.166 4.2 m170 -83.77 -175.4 5.79 Favored 'General case' 0 C--N 1.383 2.046 0 C-N-CA 124.817 1.247 . . . . 0.0 112.595 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.319 79.5 mt 72.84 -171.83 0.14 Allowed 'General case' 0 C--N 1.381 1.939 0 N-CA-C 115.475 1.657 . . . . 0.0 115.475 170.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.412 ' H ' HG12 ' A' ' 32' ' ' ILE . . . 98.43 -44.17 1.8 Allowed Glycine 0 C--N 1.385 3.252 0 N-CA-C 108.234 -1.946 . . . . 0.0 108.234 -164.29 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.8 m 173.41 -45.36 0.01 OUTLIER 'General case' 0 C--N 1.39 2.357 0 C-N-CA 127.121 2.168 . . . . 0.0 105.451 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt -90.5 151.07 43.79 Favored Pre-proline 0 CA--C 1.585 2.325 0 C-N-CA 125.756 1.622 . . . . 0.0 112.969 -177.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -117.92 6.08 0.03 OUTLIER 'Trans proline' 1 C--N 1.423 4.472 0 N-CA-C 118.931 2.627 . . . . 0.0 118.931 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -73.26 -11.19 24.81 Favored 'Trans proline' 0 C--N 1.404 3.462 1 N-CA-C 127.399 5.884 . . . . 0.0 127.399 -176.055 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.8 p -116.8 161.47 19.22 Favored 'General case' 0 C--N 1.394 2.504 1 CA-C-N 126.873 4.397 . . . . 0.0 119.141 -172.547 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.1 p -144.65 155.72 43.75 Favored 'General case' 0 C--N 1.383 2.037 0 CA-C-N 111.393 -2.639 . . . . 0.0 110.379 -174.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -106.78 93.11 4.39 Favored 'General case' 0 C--N 1.382 2.005 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 -178.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.8 m -68.57 120.66 14.96 Favored 'General case' 0 C--N 1.398 2.704 0 N-CA-C 103.501 -2.777 . . . . 0.0 103.501 170.149 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -133.21 141.8 48.25 Favored 'General case' 0 C--N 1.391 2.408 0 CA-C-O 123.052 1.406 . . . . 0.0 111.186 -170.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -97.2 -16.76 20.25 Favored 'General case' 0 C--N 1.38 1.922 0 CA-C-N 113.588 -1.642 . . . . 0.0 109.164 169.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -72.06 124.36 24.78 Favored 'General case' 0 C--N 1.401 2.833 0 N-CA-C 104.721 -2.326 . . . . 0.0 104.721 174.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.486 ' CG ' HH21 ' A' ' 1' ' ' ARG 2.129 54.4 m-20 -64.56 12.65 0.04 OUTLIER 'General case' 0 CA--C 1.582 2.2 0 C-N-CA 128.461 2.704 . . . . 0.0 116.432 -170.693 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.7 m -149.11 144.37 26.61 Favored 'General case' 0 C--N 1.386 2.185 0 CA-C-N 122.124 2.238 . . . . 0.0 108.646 -178.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.4 p -136.67 152.61 50.59 Favored 'General case' 0 C--N 1.383 2.057 0 CA-C-O 122.458 1.123 . . . . 0.0 111.596 176.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -122.92 155.56 36.48 Favored 'General case' 0 C--N 1.38 1.931 0 CA-C-O 122.847 1.308 . . . . 0.0 114.344 -167.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.427 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 22.8 mmtt -114.18 122.39 46.65 Favored 'General case' 0 C--N 1.384 2.101 0 CA-C-N 112.539 -2.119 . . . . 0.0 106.881 -175.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.505 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 16.7 t-20 -127.1 122.23 33.68 Favored 'General case' 0 CA--C 1.582 2.175 0 N-CA-C 104.26 -2.496 . . . . 0.0 104.26 -174.508 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.17 -14.13 2.06 Favored 'Isoleucine or valine' 0 C--N 1.401 2.843 0 N-CA-C 117.59 2.441 . . . . 0.0 117.59 -153.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.548 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -87.66 -106.69 0.07 Allowed 'General case' 0 CA--C 1.591 2.526 1 C-N-CA 134.524 5.13 . . . . 0.0 107.813 -177.333 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.4 t 81.38 151.72 0.1 Allowed 'General case' 0 C--N 1.396 2.63 0 C-N-CA 125.528 1.531 . . . . 0.0 114.635 172.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -56.11 -49.81 72.84 Favored 'General case' 0 C--N 1.396 2.617 0 C-N-CA 125.048 1.339 . . . . 0.0 108.971 176.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 45.5 p30 -73.48 -6.44 46.45 Favored 'General case' 0 CA--C 1.58 2.11 0 C-N-CA 125.511 1.524 . . . . 0.0 113.49 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.2 t30 64.08 81.76 0.2 Allowed 'General case' 0 C--N 1.392 2.446 0 C-N-CA 127.112 2.165 . . . . 0.0 106.333 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.412 HG12 ' H ' ' A' ' 8' ' ' GLY . 1.0 OUTLIER -164.67 168.4 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.392 2.418 0 C-N-CA 118.799 -1.16 . . . . 0.0 113.215 -177.776 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -103.95 103.41 15.16 Favored 'Isoleucine or valine' 0 C--N 1.387 2.202 0 N-CA-C 104.572 -2.381 . . . . 0.0 104.572 175.327 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.473 HH11 ' HG2' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -146.9 121.41 9.72 Favored 'General case' 0 C--N 1.385 2.133 0 N-CA-C 104.252 -2.499 . . . . 0.0 104.252 -175.265 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.33 -171.18 3.61 Favored 'General case' 0 C--N 1.397 2.653 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -158.322 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -165.59 -163.21 18.5 Favored Glycine 1 C--N 1.399 4.057 0 C-N-CA 115.006 -3.473 . . . . 0.0 118.909 -167.683 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 40.4 t -115.38 115.61 26.87 Favored 'General case' 0 C--N 1.392 2.454 0 CA-C-O 122.143 0.973 . . . . 0.0 109.302 -176.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.52 -95.25 0.1 Allowed Glycine 0 C--N 1.392 3.676 0 N-CA-C 103.82 -3.712 . . . . 0.0 103.82 176.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.414 9.1 t 74.17 -155.08 0.06 Allowed 'General case' 0 C--N 1.388 2.243 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 173.571 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 . . . . . 0 C--N 1.384 2.07 0 CA-C-N 114.405 -1.27 . . . . 0.0 108.428 -179.604 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.56 2.891 0 CA-C-O 115.699 -2.723 . . . . 0.0 106.496 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo 47.13 -152.53 0.0 OUTLIER 'Trans proline' 1 C--N 1.449 5.842 0 C-N-CA 114.671 -3.086 . . . . 0.0 109.815 -171.118 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . 0.279 49.4 p90 -149.28 135.69 19.29 Favored 'General case' 0 C--N 1.373 1.618 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 174.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 16.1 m -120.9 152.53 38.35 Favored 'General case' 0 C--N 1.392 2.444 0 N-CA-C 115.799 1.777 . . . . 0.0 115.799 -161.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 16.8 t -133.59 176.56 8.43 Favored 'General case' 0 C--N 1.378 1.838 0 CA-C-N 112.507 -2.133 . . . . 0.0 111.195 178.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -146.62 37.36 0.99 Allowed 'General case' 0 C--N 1.385 2.126 0 C-N-CA 119.639 -0.825 . . . . 0.0 112.194 -174.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.9 m -123.99 172.42 8.97 Favored 'General case' 0 C--N 1.379 1.881 0 C-N-CA 125.237 1.415 . . . . 0.0 111.349 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.467 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 27.8 t0 -71.6 113.03 8.2 Favored 'General case' 0 C--N 1.388 2.243 0 N-CA-C 105.692 -1.966 . . . . 0.0 105.692 -177.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.467 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.302 4.0 mptt 76.53 -59.92 0.49 Allowed 'General case' 0 C--N 1.396 2.601 0 C-N-CA 126.991 2.116 . . . . 0.0 109.974 -178.323 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 52.2 t 57.77 61.01 2.55 Favored 'General case' 0 C--N 1.378 1.808 0 N-CA-C 106.244 -1.762 . . . . 0.0 106.244 178.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 68.5 75.87 0.26 Allowed 'General case' 0 C--N 1.386 2.178 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 173.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.427 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 23.4 mt . . . . . 0 CA--C 1.603 2.999 0 C-N-CA 127.499 2.32 . . . . 0.0 110.758 176.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.562 ' HG2' HH11 ' A' ' 1' ' ' ARG . 0.2 OUTLIER . . . . . 1 N--CA 1.541 4.111 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 . . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 81.0 mt -137.64 139.37 43.27 Favored 'Isoleucine or valine' 0 C--N 1.386 2.186 0 CA-C-N 119.46 1.027 . . . . 0.0 109.464 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 m -140.69 153.84 46.12 Favored 'General case' 0 C--N 1.388 2.25 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 175.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -104.95 147.46 27.76 Favored 'General case' 0 C--N 1.393 2.493 0 O-C-N 120.669 -1.269 . . . . 0.0 113.724 -167.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -130.74 58.21 1.7 Allowed 'General case' 0 C--N 1.392 2.422 0 N-CA-C 105.808 -1.923 . . . . 0.0 105.808 178.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.183 10.9 m170 -101.07 -150.1 0.39 Allowed 'General case' 0 C--N 1.381 1.948 0 C-N-CA 127.592 2.357 . . . . 0.0 111.869 -178.692 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.489 ' H ' ' HA ' ' A' ' 11' ' ' PRO 0.27 31.3 mt 57.6 -167.45 0.13 Allowed 'General case' 0 C--N 1.385 2.13 0 CA-C-O 122.379 1.085 . . . . 0.0 111.772 176.81 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.02 -53.69 4.51 Favored Glycine 0 C--N 1.383 3.173 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -173.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.5 m -163.54 -49.86 0.03 OUTLIER 'General case' 0 C--N 1.38 1.908 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -102.72 118.13 59.15 Favored Pre-proline 0 CA--C 1.584 2.259 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -176.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.489 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 34.4 Cg_endo -89.62 -6.42 5.09 Favored 'Trans proline' 0 C--N 1.41 3.806 0 N-CA-C 120.543 3.247 . . . . 0.0 120.543 -177.486 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_exo -81.16 -15.28 10.36 Favored 'Trans proline' 0 C--N 1.397 3.112 1 N-CA-C 125.307 5.08 . . . . 0.0 125.307 -174.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.8 p -92.84 155.99 17.27 Favored 'General case' 0 C--N 1.393 2.472 0 CA-C-N 124.815 3.461 . . . . 0.0 116.541 -172.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 41.8 p -139.62 161.31 37.82 Favored 'General case' 0 C--N 1.385 2.122 0 CA-C-N 111.811 -2.45 . . . . 0.0 112.282 -166.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -127.58 112.82 15.32 Favored 'General case' 0 C--N 1.385 2.148 0 CA-C-O 123.227 1.489 . . . . 0.0 108.288 -174.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 91.5 m -73.38 124.11 25.12 Favored 'General case' 0 C--N 1.387 2.212 0 N-CA-C 105.237 -2.134 . . . . 0.0 105.237 175.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.7 t -125.89 143.38 51.1 Favored 'General case' 0 C--N 1.39 2.352 0 CA-C-O 122.82 1.295 . . . . 0.0 112.126 -173.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 -151.72 49.48 0.8 Allowed 'General case' 0 C--N 1.381 1.952 0 N-CA-C 103.851 -2.648 . . . . 0.0 103.851 165.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -98.21 8.85 44.21 Favored 'General case' 0 C--N 1.396 2.598 0 CA-C-O 121.81 0.814 . . . . 0.0 112.439 176.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.343 0.8 OUTLIER 100.34 -24.99 0.02 OUTLIER 'General case' 0 CA--C 1.577 2.006 0 C-N-CA 129.387 3.075 . . . . 0.0 111.831 178.869 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.3 t -160.02 157.14 28.19 Favored 'General case' 0 C--N 1.391 2.387 0 CA-C-O 122.203 1.001 . . . . 0.0 112.55 -170.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.8 p -139.5 159.33 42.4 Favored 'General case' 0 C--N 1.39 2.337 0 CA-C-O 122.067 0.936 . . . . 0.0 111.963 167.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 43.6 p90 -126.18 154.89 42.61 Favored 'General case' 0 C--N 1.381 1.946 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -167.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.556 ' HZ3' ' C ' ' A' ' 59' ' ' LEU . 13.7 mmtt -111.15 113.46 25.99 Favored 'General case' 0 C--N 1.385 2.144 0 N-CA-C 105.864 -1.902 . . . . 0.0 105.864 -178.731 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.512 ' H ' ' HB3' ' A' ' 35' ' ' ARG . 2.1 t30 -116.82 113.74 22.95 Favored 'General case' 0 CA--C 1.577 2.002 0 N-CA-C 102.981 -2.97 . . . . 0.0 102.981 -178.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.83 -14.74 4.81 Favored 'Isoleucine or valine' 0 C--N 1.392 2.443 0 N-CA-C 115.789 1.774 . . . . 0.0 115.789 -152.4 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.98 -102.35 0.09 Allowed 'General case' 0 CA--C 1.579 2.076 1 C-N-CA 134.508 5.123 . . . . 0.0 107.797 179.265 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.2 t 72.12 168.82 0.32 Allowed 'General case' 0 C--N 1.393 2.469 0 O-C-N 120.704 -1.247 . . . . 0.0 110.948 -174.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -62.71 -46.92 85.88 Favored 'General case' 0 C--N 1.391 2.401 0 O-C-N 121.634 -0.666 . . . . 0.0 109.688 175.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -74.44 -2.9 27.57 Favored 'General case' 0 CA--C 1.576 1.98 0 C-N-CA 129.187 2.995 . . . . 0.0 113.951 -175.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 62.81 74.58 0.43 Allowed 'General case' 0 C--N 1.394 2.541 0 CA-C-N 122.967 2.622 . . . . 0.0 106.379 176.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 tp -161.33 161.05 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.389 2.307 0 C-N-CA 118.284 -1.366 . . . . 0.0 113.535 -171.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.1 mt -101.43 84.8 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.389 2.284 0 CA-C-O 123.6 1.667 . . . . 0.0 106.797 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.15 111.64 16.75 Favored 'General case' 0 C--N 1.381 1.959 0 N-CA-C 101.941 -3.355 . . . . 0.0 101.941 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.512 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -157.86 -170.61 3.23 Favored 'General case' 0 C--N 1.39 2.366 0 CA-C-N 115.077 -0.965 . . . . 0.0 112.721 -160.465 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 175.92 -169.37 42.01 Favored Glycine 0 C--N 1.393 3.744 1 C-N-CA 112.683 -4.579 . . . . 0.0 120.155 -172.386 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.0 t -75.32 112.08 11.25 Favored 'General case' 0 C--N 1.382 2.02 0 CA-C-N 112.645 -1.777 . . . . 0.0 108.293 -177.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.4 -114.41 0.3 Allowed Glycine 1 C--N 1.403 4.281 0 C-N-CA 117.631 -2.223 . . . . 0.0 109.294 -179.176 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.457 ' SG ' ' N ' ' A' ' 40' ' ' PHE 2.405 45.4 t 101.9 -166.51 0.0 OUTLIER 'General case' 0 C--N 1.385 2.123 0 N-CA-C 116.807 2.151 . . . . 0.0 116.807 174.123 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.457 ' N ' ' SG ' ' A' ' 39' ' ' CYS . 5.0 m-85 . . . . . 0 C--N 1.387 2.208 0 CA-C-N 113.704 -1.589 . . . . 0.0 109.265 167.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 2.65 0 N-CA-C 114.573 0.589 . . . . 0.0 114.573 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -53.21 161.2 3.83 Favored 'Trans proline' 0 C--N 1.393 2.894 0 C-N-CA 123.428 2.752 . . . . 0.0 116.412 174.229 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -89.62 129.27 36.09 Favored 'General case' 0 C--N 1.386 2.176 0 N-CA-C 105.762 -1.94 . . . . 0.0 105.762 178.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 10.1 m -118.33 155.56 30.43 Favored 'General case' 0 C--N 1.391 2.389 0 CA-C-O 123.407 1.575 . . . . 0.0 114.625 -170.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.9 t -137.4 169.05 18.44 Favored 'General case' 0 C--N 1.379 1.869 0 CA-C-N 112.799 -2.001 . . . . 0.0 111.511 -177.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -132.8 40.02 3.28 Favored 'General case' 0 C--N 1.379 1.858 0 CA-C-O 121.523 0.678 . . . . 0.0 110.218 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.7 t -137.62 154.44 49.74 Favored 'General case' 0 C--N 1.381 1.978 0 C-N-CA 124.843 1.257 . . . . 0.0 110.392 -177.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.538 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 37.3 t0 -56.66 127.23 30.37 Favored 'General case' 0 C--N 1.388 2.245 0 N-CA-C 106.911 -1.515 . . . . 0.0 106.911 176.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.538 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.305 5.2 mptt 72.76 -87.18 0.03 OUTLIER 'General case' 0 C--N 1.396 2.603 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 -179.533 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 35.4 t 68.24 67.59 0.33 Allowed 'General case' 0 C--N 1.38 1.921 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 m120 72.16 75.55 0.16 Allowed 'General case' 0 C--N 1.389 2.288 0 N-CA-C 105.684 -1.969 . . . . 0.0 105.684 173.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.556 ' C ' ' HZ3' ' A' ' 24' ' ' LYS 0.258 10.3 tp . . . . . 0 CA--C 1.588 2.416 0 C-N-CA 129.088 2.955 . . . . 0.0 107.43 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.407 HH11 ' HG2' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 1 N--CA 1.549 4.504 0 CA-C-O 116.121 -1.895 . . . . 0.0 107.929 . . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 24.9 mm -114.38 114.23 46.05 Favored 'Isoleucine or valine' 0 C--N 1.394 2.532 0 CA-C-N 122.127 2.24 . . . . 0.0 107.205 175.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.286 81.3 m -124.31 151.17 44.6 Favored 'General case' 0 C--N 1.398 2.702 0 N-CA-C 107.1 -1.444 . . . . 0.0 107.1 164.224 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -97.13 145.15 26.28 Favored 'General case' 0 C--N 1.387 2.197 0 C-N-CA 119.121 -1.032 . . . . 0.0 113.681 -168.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 51.6 p-10 -124.73 24.75 7.66 Favored 'General case' 0 C--N 1.385 2.137 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.597 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.181 2.1 m-70 -74.58 -162.57 0.16 Allowed 'General case' 0 C--N 1.385 2.151 0 C-N-CA 128.89 2.876 . . . . 0.0 112.329 177.684 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 63.5 mt 69.12 179.19 0.24 Allowed 'General case' 0 C--N 1.384 2.082 0 CA-C-O 123.393 1.568 . . . . 0.0 114.152 172.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.14 18.73 52.94 Favored Glycine 0 C--N 1.382 3.118 0 CA-C-O 117.392 -1.782 . . . . 0.0 111.927 -175.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.0 m 104.46 -38.2 0.01 OUTLIER 'General case' 0 C--N 1.393 2.49 0 C-N-CA 131.371 3.868 . . . . 0.0 109.815 -175.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.526 ' HZ3' ' CG ' ' A' ' 30' ' ' ASP . 8.1 mptt -70.94 161.03 80.37 Favored Pre-proline 0 CA--C 1.579 2.096 0 C-N-CA 124.746 1.218 . . . . 0.0 112.869 -171.616 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -69.86 173.11 11.54 Favored 'Trans proline' 0 C--N 1.398 3.143 0 N-CA-C 115.081 1.146 . . . . 0.0 115.081 -178.029 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -67.26 153.59 76.72 Favored 'Trans proline' 0 C--N 1.393 2.872 0 N-CA-C 117.677 2.145 . . . . 0.0 117.677 -176.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.334 61.2 p -170.84 132.78 0.9 Allowed 'General case' 0 C--N 1.381 1.952 0 N-CA-C 103.814 -2.661 . . . . 0.0 103.814 177.668 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 44.8 p -125.38 146.02 49.78 Favored 'General case' 0 C--N 1.374 1.632 0 CA-C-N 113.734 -1.575 . . . . 0.0 108.845 -173.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -103.73 98.59 8.43 Favored 'General case' 0 C--N 1.378 1.845 0 CA-C-O 123.908 1.813 . . . . 0.0 107.294 -169.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 53.1 m -72.78 118.75 16.1 Favored 'General case' 0 C--N 1.388 2.26 0 N-CA-C 103.177 -2.897 . . . . 0.0 103.177 172.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.8 t -146.75 160.02 42.76 Favored 'General case' 0 C--N 1.387 2.221 0 CA-C-O 121.666 0.746 . . . . 0.0 112.685 -166.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -140.76 68.87 1.34 Allowed 'General case' 0 C--N 1.381 1.945 0 N-CA-C 104.908 -2.256 . . . . 0.0 104.908 171.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -119.67 120.06 35.52 Favored 'General case' 0 C--N 1.379 1.878 0 N-CA-C 102.709 -3.071 . . . . 0.0 102.709 177.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.231 1.1 m-20 -31.37 -51.6 0.19 Allowed 'General case' 0 C--N 1.388 2.273 0 C-N-CA 128.794 2.838 . . . . 0.0 110.967 -171.518 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.9 m -133.55 144.06 49.11 Favored 'General case' 0 C--N 1.387 2.216 0 CA-C-O 123.331 1.538 . . . . 0.0 109.219 173.134 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.27 28.6 p -121.51 148.46 44.44 Favored 'General case' 0 C--N 1.384 2.078 0 CA-C-O 122.981 1.372 . . . . 0.0 110.414 173.578 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -121.57 162.24 20.95 Favored 'General case' 0 C--N 1.382 2.004 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 -163.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.574 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -109.23 117.16 33.37 Favored 'General case' 0 C--N 1.381 1.971 0 CA-C-N 111.108 -2.769 . . . . 0.0 106.549 178.221 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.516 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 1.6 t30 -117.94 130.01 55.96 Favored 'General case' 0 CA--C 1.579 2.064 0 C-N-CA 129.014 2.926 . . . . 0.0 104.365 -177.464 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -141.65 30.34 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.406 3.06 0 CA-C-O 122.823 1.297 . . . . 0.0 114.295 -147.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.516 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -151.04 -106.32 0.06 Allowed 'General case' 0 CA--C 1.59 2.519 0 C-N-CA 127.396 2.278 . . . . 0.0 106.022 -166.331 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.291 51.5 m 65.49 170.13 0.21 Allowed 'General case' 0 C--N 1.396 2.621 0 C-N-CA 126.59 1.956 . . . . 0.0 115.385 171.62 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -70.85 -36.07 72.7 Favored 'General case' 0 C--N 1.399 2.755 0 C-N-CA 119.043 -1.063 . . . . 0.0 110.523 -176.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.526 ' CG ' ' HZ3' ' A' ' 10' ' ' LYS . 86.6 m-20 -60.58 -23.3 64.56 Favored 'General case' 0 C--N 1.391 2.37 0 CA-C-N 119.974 1.261 . . . . 0.0 109.871 175.343 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 72.3 77.82 0.15 Allowed 'General case' 0 C--N 1.394 2.505 0 N-CA-C 104.673 -2.343 . . . . 0.0 104.673 178.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.1 tp -177.26 170.0 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.393 2.493 0 CA-C-N 114.956 -1.02 . . . . 0.0 112.604 -166.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.3 mp -94.56 101.11 12.16 Favored 'Isoleucine or valine' 0 C--N 1.385 2.124 0 N-CA-C 104.205 -2.517 . . . . 0.0 104.205 172.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.569 HH11 ' HG2' ' A' ' 34' ' ' ARG . 3.4 ttp85 -150.27 134.9 17.45 Favored 'General case' 0 C--N 1.385 2.142 0 N-CA-C 104.597 -2.372 . . . . 0.0 104.597 -178.021 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.46 ' HG2' HH11 ' A' ' 35' ' ' ARG . 8.7 ptt-85 -172.52 -174.89 1.25 Allowed 'General case' 0 C--N 1.397 2.64 0 C-N-CA 116.624 -2.03 . . . . 0.0 112.204 -146.473 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 173.46 -168.04 40.86 Favored Glycine 0 C--N 1.394 3.777 0 C-N-CA 114.334 -3.793 . . . . 0.0 118.405 -176.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 56.7 m -71.1 122.59 20.37 Favored 'General case' 0 C--N 1.385 2.144 0 CA-C-N 114.043 -1.078 . . . . 0.0 111.004 -178.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.03 -99.88 0.13 Allowed Glycine 1 C--N 1.403 4.277 0 N-CA-C 105.955 -2.858 . . . . 0.0 105.955 170.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.369 29.0 t 95.75 -165.97 0.0 OUTLIER 'General case' 0 C--N 1.384 2.08 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 172.396 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.384 2.074 0 CA-C-N 114.339 -1.3 . . . . 0.0 111.885 166.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 2.641 0 N-CA-C 114.249 0.46 . . . . 0.0 114.249 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_exo -65.82 -174.76 0.4 Allowed 'Trans proline' 0 C--N 1.393 2.891 0 C-N-CA 123.409 2.739 . . . . 0.0 115.629 172.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -114.97 136.65 52.89 Favored 'General case' 0 C--N 1.389 2.293 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 5.1 m -119.84 161.94 19.96 Favored 'General case' 0 C--N 1.392 2.433 0 N-CA-C 116.573 2.064 . . . . 0.0 116.573 -167.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.6 t -149.97 159.59 44.27 Favored 'General case' 0 C--N 1.386 2.166 0 CA-C-N 114.117 -1.401 . . . . 0.0 110.184 174.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.7 41.64 2.65 Favored 'General case' 0 C--N 1.39 2.369 0 O-C-N 121.677 -0.64 . . . . 0.0 111.498 -175.336 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 t -143.21 164.06 31.23 Favored 'General case' 0 C--N 1.386 2.193 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.516 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 24.3 t0 -61.37 111.38 1.74 Allowed 'General case' 0 C--N 1.389 2.3 0 N-CA-C 105.972 -1.862 . . . . 0.0 105.972 -178.023 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.516 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.291 2.7 mptt 70.86 -63.39 0.42 Allowed 'General case' 0 C--N 1.393 2.479 0 C-N-CA 127.143 2.177 . . . . 0.0 108.716 -173.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.261 6.4 t 73.86 -44.65 0.58 Allowed 'General case' 0 C--N 1.383 2.063 0 C-N-CA 128.186 2.594 . . . . 0.0 109.077 -178.56 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -174.49 62.51 0.02 OUTLIER 'General case' 0 C--N 1.392 2.422 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.574 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 5.7 tp . . . . . 0 CA--C 1.587 2.401 0 N-CA-C 104.464 -2.421 . . . . 0.0 104.464 -177.061 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 1 N--CA 1.545 4.313 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.4 mt -99.57 133.93 40.66 Favored 'Isoleucine or valine' 0 C--N 1.395 2.551 0 CA-C-N 119.519 1.054 . . . . 0.0 109.065 178.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 67.7 m -145.35 155.38 43.15 Favored 'General case' 0 C--N 1.387 2.204 0 CA-C-O 121.929 0.871 . . . . 0.0 109.668 167.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -68.48 152.42 45.43 Favored 'General case' 0 C--N 1.389 2.319 0 O-C-N 121.415 -0.803 . . . . 0.0 111.52 -177.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -152.54 58.51 0.82 Allowed 'General case' 0 C--N 1.391 2.402 0 N-CA-C 105.306 -2.109 . . . . 0.0 105.306 175.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.187 6.0 m170 -99.21 -150.16 0.37 Allowed 'General case' 0 C--N 1.385 2.148 0 C-N-CA 125.354 1.462 . . . . 0.0 110.246 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.518 ' H ' ' HA ' ' A' ' 11' ' ' PRO 0.266 5.3 mp 65.69 -175.51 0.18 Allowed 'General case' 0 C--N 1.387 2.232 0 CA-C-O 121.935 0.874 . . . . 0.0 113.229 170.452 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.35 -43.05 3.17 Favored Glycine 0 C--N 1.386 3.332 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -172.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.3 m -170.34 -42.5 0.02 OUTLIER 'General case' 0 C--N 1.381 1.965 0 N-CA-C 106.224 -1.769 . . . . 0.0 106.224 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -115.82 109.0 45.77 Favored Pre-proline 0 C--N 1.389 2.307 0 CA-C-O 118.071 -0.966 . . . . 0.0 109.571 -173.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.518 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 85.6 Cg_exo -83.95 3.29 7.72 Favored 'Trans proline' 0 C--N 1.41 3.769 0 N-CA-C 120.421 3.2 . . . . 0.0 120.421 175.375 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -72.41 -13.22 27.78 Favored 'Trans proline' 0 C--N 1.4 3.266 1 N-CA-C 124.217 4.66 . . . . 0.0 124.217 -176.559 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.3 p -113.63 157.85 21.59 Favored 'General case' 0 C--N 1.394 2.509 0 CA-C-N 125.644 3.838 . . . . 0.0 117.4 -174.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.9 p -133.48 146.2 50.9 Favored 'General case' 0 C--N 1.379 1.875 0 CA-C-N 112.132 -2.303 . . . . 0.0 108.088 -177.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -107.72 93.51 4.58 Favored 'General case' 0 C--N 1.379 1.872 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 -166.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.6 m -73.6 99.43 3.07 Favored 'General case' 0 C--N 1.395 2.562 0 N-CA-C 101.634 -3.469 . . . . 0.0 101.634 176.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.4 t -125.4 156.95 37.99 Favored 'General case' 0 C--N 1.394 2.541 0 CA-C-O 124.205 1.955 . . . . 0.0 114.411 -166.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.4 pm0 -91.86 -9.87 41.79 Favored 'General case' 0 C--N 1.377 1.77 0 CA-C-N 111.851 -2.431 . . . . 0.0 112.584 -176.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -71.77 128.64 36.44 Favored 'General case' 0 C--N 1.396 2.589 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 173.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.156 20.1 m-20 -63.94 6.0 0.2 Allowed 'General case' 0 CA--C 1.591 2.528 0 C-N-CA 129.541 3.136 . . . . 0.0 116.027 -174.269 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.9 m -160.98 150.26 16.83 Favored 'General case' 0 C--N 1.382 2.004 0 CA-C-N 120.918 1.69 . . . . 0.0 107.184 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.375 25.8 p -139.25 145.46 39.23 Favored 'General case' 0 C--N 1.39 2.346 0 CA-C-O 123.283 1.516 . . . . 0.0 113.592 -178.487 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -118.59 159.4 23.64 Favored 'General case' 0 C--N 1.391 2.376 0 N-CA-C 115.902 1.816 . . . . 0.0 115.902 -160.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.457 ' NZ ' ' OXT' ' A' ' 59' ' ' LEU . 40.9 mttm -105.57 123.64 48.24 Favored 'General case' 0 C--N 1.387 2.223 0 CA-C-O 123.306 1.526 . . . . 0.0 107.802 -179.068 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.504 ' HA ' ' HE1' ' A' ' 27' ' ' TRP . 18.1 t-20 -118.67 121.95 41.38 Favored 'General case' 0 CA--C 1.575 1.907 0 N-CA-C 103.403 -2.814 . . . . 0.0 103.403 177.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.4 pp -139.23 17.38 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.392 2.45 0 N-CA-C 116.213 1.931 . . . . 0.0 116.213 -159.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.563 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -139.16 -109.22 0.16 Allowed 'General case' 0 CA--C 1.585 2.299 0 C-N-CA 128.75 2.82 . . . . 0.0 105.706 -161.219 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.318 1.8 m 64.36 161.0 0.11 Allowed 'General case' 0 C--N 1.397 2.641 0 C-N-CA 126.205 1.802 . . . . 0.0 114.872 174.043 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -62.65 -41.35 99.0 Favored 'General case' 0 C--N 1.394 2.515 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.204 -178.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -72.06 -0.77 12.56 Favored 'General case' 0 CA--C 1.578 2.033 0 CA-C-O 116.948 -1.501 . . . . 0.0 112.796 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 61.85 70.56 0.58 Allowed 'General case' 0 C--N 1.398 2.711 0 CA-C-N 122.812 2.551 . . . . 0.0 107.233 171.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 tp -166.26 168.82 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.392 2.413 0 C-N-CA 116.988 -1.885 . . . . 0.0 113.69 -172.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 mp -106.78 107.82 23.68 Favored 'Isoleucine or valine' 0 C--N 1.385 2.109 0 N-CA-C 103.371 -2.826 . . . . 0.0 103.371 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.583 HH11 ' HG2' ' A' ' 34' ' ' ARG . 7.5 ttp85 -157.09 84.76 0.94 Allowed 'General case' 0 C--N 1.39 2.339 0 N-CA-C 102.383 -3.192 . . . . 0.0 102.383 -165.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -117.13 -174.08 2.52 Favored 'General case' 0 C--N 1.371 1.534 0 CA-C-N 110.178 -3.192 . . . . 0.0 113.683 -163.03 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 178.02 -165.08 34.34 Favored Glycine 0 C--N 1.391 3.602 1 C-N-CA 113.565 -4.16 . . . . 0.0 116.346 -170.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.3 p -94.01 118.76 31.95 Favored 'General case' 0 C--N 1.386 2.163 0 CA-C-O 122.513 1.149 . . . . 0.0 109.882 -177.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.63 -96.27 0.11 Allowed Glycine 0 C--N 1.393 3.742 0 N-CA-C 106.276 -2.729 . . . . 0.0 106.276 178.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.38 45.8 t 82.08 -60.45 0.19 Allowed 'General case' 0 C--N 1.385 2.113 0 CA-C-O 121.6 0.715 . . . . 0.0 109.347 -179.387 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.382 1.986 0 N-CA-C 102.327 -3.212 . . . . 0.0 102.327 177.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.57 3.5 0 N-CA-C 114.559 0.583 . . . . 0.0 114.559 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -70.96 -173.76 0.97 Allowed 'Trans proline' 0 C--N 1.392 2.861 0 C-N-CA 123.681 2.921 . . . . 0.0 116.398 178.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -124.8 146.6 49.15 Favored 'General case' 0 C--N 1.389 2.292 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.567 177.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 2.8 m -122.93 167.95 12.91 Favored 'General case' 0 C--N 1.404 2.943 0 N-CA-C 121.521 3.897 . . . . 0.0 121.521 -155.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.9 t -144.13 163.91 32.21 Favored 'General case' 0 C--N 1.386 2.168 0 CA-C-N 112.481 -2.145 . . . . 0.0 110.943 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -128.43 53.55 1.82 Allowed 'General case' 0 C--N 1.383 2.059 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 174.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.2 t -129.98 161.12 31.64 Favored 'General case' 0 C--N 1.384 2.082 0 CA-C-O 122.203 1.002 . . . . 0.0 111.631 -178.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.478 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 30.2 t0 -75.16 116.57 16.03 Favored 'General case' 0 C--N 1.383 2.044 0 N-CA-C 104.574 -2.38 . . . . 0.0 104.574 173.477 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.478 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.289 9.0 mptt 73.42 -38.43 0.41 Allowed 'General case' 0 C--N 1.393 2.467 0 C-N-CA 125.928 1.691 . . . . 0.0 112.348 -179.855 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.1 t 57.46 31.97 21.07 Favored 'General case' 0 CA--C 1.588 2.413 0 CA-C-N 120.922 1.692 . . . . 0.0 108.95 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.255 29.2 t30 70.13 -65.72 0.31 Allowed 'General case' 0 C--N 1.393 2.468 0 C-N-CA 130.517 3.527 . . . . 0.0 108.67 -173.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.457 ' OXT' ' NZ ' ' A' ' 24' ' ' LYS . 23.8 tp . . . . . 0 CA--C 1.58 2.11 1 N-CA-C 99.294 -4.335 . . . . 0.0 99.294 -178.456 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 1 N--CA 1.54 4.051 0 CA-C-O 118.15 -0.929 . . . . 0.0 109.264 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.8 mt -91.85 127.28 44.23 Favored 'Isoleucine or valine' 0 C--N 1.398 2.713 0 CA-C-N 119.836 1.198 . . . . 0.0 109.831 -177.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.0 m -140.87 147.34 38.76 Favored 'General case' 0 C--N 1.391 2.383 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 164.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -77.66 157.61 30.1 Favored 'General case' 0 C--N 1.388 2.271 0 O-C-N 121.038 -1.038 . . . . 0.0 113.775 -169.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -130.81 6.86 4.71 Favored 'General case' 0 C--N 1.387 2.213 0 CA-C-O 117.975 -1.012 . . . . 0.0 112.227 175.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.224 49.5 m-70 -71.17 -159.01 0.04 OUTLIER 'General case' 0 C--N 1.39 2.332 0 C-N-CA 126.382 1.873 . . . . 0.0 113.695 -178.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 mp 71.26 179.11 0.24 Allowed 'General case' 0 C--N 1.39 2.355 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 175.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.05 -46.84 3.67 Favored Glycine 0 C--N 1.389 3.476 0 O-C-N 121.766 -0.584 . . . . 0.0 112.777 -176.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.4 m -172.98 -51.44 0.02 OUTLIER 'General case' 0 C--N 1.379 1.855 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 -173.091 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.27 141.96 40.38 Favored Pre-proline 0 C--N 1.39 2.331 0 C-N-CA 118.903 -1.119 . . . . 0.0 110.031 -168.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -54.58 152.93 25.32 Favored 'Trans proline' 0 C--N 1.396 3.054 0 C-N-CA 121.594 1.529 . . . . 0.0 113.263 176.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -45.61 137.68 11.59 Favored 'Trans proline' 0 C--N 1.389 2.704 0 C-N-CA 122.742 2.294 . . . . 0.0 115.836 -177.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.259 8.4 p -160.64 124.58 3.53 Favored 'General case' 0 C--N 1.38 1.919 0 N-CA-C 101.719 -3.438 . . . . 0.0 101.719 177.287 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 60.1 p -122.11 144.55 48.86 Favored 'General case' 0 C--N 1.382 1.996 0 CA-C-O 122.521 1.153 . . . . 0.0 110.544 -169.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -97.26 101.98 13.65 Favored 'General case' 0 C--N 1.386 2.177 0 CA-C-N 114.902 -1.044 . . . . 0.0 108.555 -166.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.4 m -77.96 105.99 9.53 Favored 'General case' 0 C--N 1.393 2.458 0 N-CA-C 101.378 -3.564 . . . . 0.0 101.378 169.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -116.81 150.23 38.67 Favored 'General case' 0 C--N 1.386 2.167 0 CA-C-O 122.609 1.195 . . . . 0.0 111.086 -169.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -72.39 -31.97 66.01 Favored 'General case' 0 C--N 1.382 2.018 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.507 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -61.35 129.73 42.67 Favored 'General case' 0 C--N 1.385 2.133 0 CA-C-O 123.737 1.732 . . . . 0.0 108.944 -174.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.078 47.3 m-20 -50.96 -39.86 56.19 Favored 'General case' 0 C--N 1.385 2.15 0 C-N-CA 130.033 3.333 . . . . 0.0 112.379 -178.416 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.4 t -117.55 135.44 53.95 Favored 'General case' 0 C--N 1.384 2.071 0 CA-C-O 123.774 1.75 . . . . 0.0 108.909 -172.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.6 p -139.11 146.21 40.41 Favored 'General case' 0 C--N 1.383 2.031 0 CA-C-O 123.335 1.54 . . . . 0.0 109.568 176.213 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -123.24 164.89 17.88 Favored 'General case' 0 C--N 1.379 1.857 0 N-CA-C 116.21 1.93 . . . . 0.0 116.21 -163.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.424 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 31.0 mttt -111.91 130.29 55.89 Favored 'General case' 0 C--N 1.387 2.215 0 CA-C-O 123.92 1.819 . . . . 0.0 109.377 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.56 ' H ' ' HB3' ' A' ' 35' ' ' ARG . 19.7 t-20 -125.89 118.74 26.1 Favored 'General case' 0 CA--C 1.575 1.906 0 N-CA-C 103.037 -2.949 . . . . 0.0 103.037 -178.208 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -135.08 -13.93 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.399 2.743 0 N-CA-C 118.369 2.729 . . . . 0.0 118.369 -154.601 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.513 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -82.7 -105.19 0.04 OUTLIER 'General case' 0 CA--C 1.587 2.395 1 C-N-CA 133.839 4.856 . . . . 0.0 106.655 176.959 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.1 t 77.31 161.4 0.22 Allowed 'General case' 0 C--N 1.392 2.446 0 C-N-CA 125.384 1.474 . . . . 0.0 112.958 175.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -68.97 -45.73 69.93 Favored 'General case' 0 C--N 1.39 2.352 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.227 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -66.9 -6.67 17.42 Favored 'General case' 0 CA--C 1.579 2.068 0 CA-C-O 116.695 -1.621 . . . . 0.0 112.854 177.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 65.81 71.05 0.43 Allowed 'General case' 0 C--N 1.397 2.67 0 CA-C-N 123.167 2.712 . . . . 0.0 106.673 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.0 tp -163.26 161.51 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.397 2.664 0 C-N-CA 117.164 -1.814 . . . . 0.0 114.914 -172.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.4 mt -97.54 96.92 5.67 Favored 'Isoleucine or valine' 0 C--N 1.392 2.434 0 N-CA-C 105.95 -1.871 . . . . 0.0 105.95 177.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.16 113.05 8.15 Favored 'General case' 0 C--N 1.384 2.103 0 N-CA-C 103.132 -2.914 . . . . 0.0 103.132 -179.058 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.56 ' HB3' ' H ' ' A' ' 25' ' ' ASN 0.259 0.0 OUTLIER -141.99 -159.74 1.0 Allowed 'General case' 0 C--N 1.383 2.051 0 CA-C-N 113.828 -1.533 . . . . 0.0 112.392 -161.452 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -175.34 -173.66 41.28 Favored Glycine 0 C--N 1.388 3.428 0 C-N-CA 113.907 -3.997 . . . . 0.0 117.357 -174.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.7 p -98.62 125.82 44.01 Favored 'General case' 0 C--N 1.383 2.04 0 CA-C-O 122.528 1.156 . . . . 0.0 109.014 176.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.56 -90.1 0.08 OUTLIER Glycine 0 C--N 1.39 3.57 0 N-CA-C 103.853 -3.699 . . . . 0.0 103.853 178.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.407 34.7 t 77.68 -161.87 0.03 OUTLIER 'General case' 0 C--N 1.382 2.005 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 172.059 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--N 1.381 1.963 0 CA-C-N 113.315 -1.766 . . . . 0.0 108.837 177.461 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 2.596 0 N-CA-C 109.87 -1.292 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -76.01 -177.7 3.84 Favored 'Trans proline' 0 C--N 1.381 2.266 0 C-N-CA 121.63 1.553 . . . . 0.0 109.529 171.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 25.0 p90 -109.53 125.49 52.56 Favored 'General case' 0 C--N 1.382 1.985 0 N-CA-C 104.155 -2.535 . . . . 0.0 104.155 174.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.2 m -114.97 156.44 25.06 Favored 'General case' 0 C--N 1.399 2.727 0 N-CA-C 116.03 1.863 . . . . 0.0 116.03 -166.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.7 t -124.91 165.57 17.85 Favored 'General case' 0 C--N 1.381 1.969 0 CA-C-N 113.162 -1.836 . . . . 0.0 110.839 175.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -125.48 45.25 2.63 Favored 'General case' 0 C--N 1.381 1.956 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 175.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.1 t -155.48 173.04 17.24 Favored 'General case' 0 C--N 1.392 2.451 0 CA-C-O 121.95 0.881 . . . . 0.0 111.441 178.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.562 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 26.8 t0 -70.53 111.77 6.3 Favored 'General case' 0 C--N 1.384 2.068 0 C-N-CA 125.027 1.331 . . . . 0.0 107.801 -171.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.562 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.267 8.3 mptt 73.99 -58.01 0.6 Allowed 'General case' 0 C--N 1.397 2.659 0 C-N-CA 126.777 2.031 . . . . 0.0 112.358 177.712 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.267 29.4 m 60.38 59.86 2.16 Favored 'General case' 0 C--N 1.375 1.714 0 C-N-CA 127.556 2.342 . . . . 0.0 107.547 -177.131 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 72.95 76.17 0.14 Allowed 'General case' 0 C--N 1.388 2.281 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 169.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.424 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 0.3 OUTLIER . . . . . 0 CA--C 1.59 2.509 0 N-CA-C 105.009 -2.219 . . . . 0.0 105.009 177.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.2 ttm105 . . . . . 1 N--CA 1.54 4.074 0 N-CA-C 104.94 -2.244 . . . . 0.0 104.94 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.9 mp -137.86 136.6 45.4 Favored 'Isoleucine or valine' 0 C--N 1.387 2.228 0 CA-C-N 121.688 2.04 . . . . 0.0 108.664 178.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.4 m -142.59 140.31 31.66 Favored 'General case' 0 C--N 1.387 2.207 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 171.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -84.2 165.92 17.99 Favored 'General case' 0 C--N 1.386 2.191 0 O-C-N 120.445 -1.409 . . . . 0.0 112.39 -172.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -142.86 32.87 1.4 Allowed 'General case' 0 C--N 1.385 2.118 0 C-N-CA 119.585 -0.846 . . . . 0.0 110.107 176.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.205 3.0 m-70 -85.0 -170.32 3.08 Favored 'General case' 0 C--N 1.387 2.217 0 C-N-CA 127.143 2.177 . . . . 0.0 115.885 -175.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.0 mt 81.6 179.15 0.08 Allowed 'General case' 0 C--N 1.389 2.319 0 N-CA-C 116.008 1.855 . . . . 0.0 116.008 173.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.26 27.46 30.57 Favored Glycine 0 C--N 1.39 3.541 0 CA-C-O 117.681 -1.621 . . . . 0.0 113.505 -175.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.1 m 87.16 -40.33 0.03 OUTLIER 'General case' 0 C--N 1.394 2.51 0 C-N-CA 129.964 3.306 . . . . 0.0 108.557 -174.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -64.51 142.15 98.37 Favored Pre-proline 0 CA--C 1.58 2.134 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -54.16 160.99 5.6 Favored 'Trans proline' 0 C--N 1.392 2.842 0 C-N-CA 123.31 2.674 . . . . 0.0 118.189 -176.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -63.17 145.09 93.33 Favored 'Trans proline' 0 C--N 1.394 2.97 0 C-N-CA 120.852 1.035 . . . . 0.0 113.536 178.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.8 p -159.84 146.97 16.49 Favored 'General case' 0 C--N 1.384 2.078 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 72.0 p -138.76 147.77 43.04 Favored 'General case' 0 C--N 1.385 2.143 0 CA-C-O 121.948 0.88 . . . . 0.0 111.646 -174.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -111.36 125.16 53.56 Favored 'General case' 0 C--N 1.386 2.184 0 CA-C-O 122.368 1.08 . . . . 0.0 109.579 -171.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 52.1 m -86.02 116.75 24.43 Favored 'General case' 0 C--N 1.386 2.192 0 N-CA-C 103.695 -2.706 . . . . 0.0 103.695 176.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.0 t -112.9 149.58 32.97 Favored 'General case' 0 C--N 1.389 2.298 0 CA-C-O 125.028 2.347 . . . . 0.0 111.755 -171.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -159.34 41.82 0.22 Allowed 'General case' 0 C--N 1.373 1.614 0 CA-C-N 110.726 -2.943 . . . . 0.0 105.217 174.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -109.51 45.93 1.04 Allowed 'General case' 0 C--N 1.394 2.507 0 N-CA-C 105.91 -1.885 . . . . 0.0 105.91 173.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.357 1.1 m-20 69.86 -37.98 0.39 Allowed 'General case' 0 C--N 1.388 2.26 0 C-N-CA 128.004 2.522 . . . . 0.0 114.331 178.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.0 p -160.83 179.94 8.09 Favored 'General case' 0 C--N 1.385 2.12 0 O-C-N 121.031 -1.043 . . . . 0.0 113.461 -173.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.7 p -150.52 150.62 31.5 Favored 'General case' 0 C--N 1.387 2.207 0 CA-C-O 123.056 1.407 . . . . 0.0 111.737 174.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.4 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 39.0 p90 -117.18 154.15 31.61 Favored 'General case' 0 C--N 1.38 1.893 0 CA-C-N 114.611 -1.177 . . . . 0.0 113.56 -170.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.527 ' NZ ' ' OXT' ' A' ' 59' ' ' LEU . 14.1 tppt? -98.4 126.65 44.01 Favored 'General case' 0 C--N 1.383 2.057 0 C-N-CA 125.966 1.706 . . . . 0.0 106.527 175.663 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.616 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 8.8 t30 -127.39 131.77 50.25 Favored 'General case' 0 CA--C 1.583 2.238 0 N-CA-C 105.081 -2.192 . . . . 0.0 105.081 -174.407 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -140.34 39.46 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.402 2.89 0 CA-C-O 123.234 1.492 . . . . 0.0 114.275 -151.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.616 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -168.06 -104.77 0.01 OUTLIER 'General case' 0 CA--C 1.588 2.417 0 N-CA-C 105.31 -2.107 . . . . 0.0 105.31 -161.945 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.433 HG22 HD22 ' A' ' 25' ' ' ASN 0.347 1.0 OUTLIER 85.64 -94.09 0.01 OUTLIER 'General case' 0 CA--C 1.589 2.464 0 C-N-CA 125.088 1.355 . . . . 0.0 109.054 168.673 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -157.84 -50.48 0.07 Allowed 'General case' 0 C--N 1.392 2.418 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 178.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . 0.267 9.8 p30 -75.76 24.02 0.12 Allowed 'General case' 0 CA--C 1.591 2.53 0 C-N-CA 124.593 1.157 . . . . 0.0 110.497 173.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.5 t30 35.69 74.39 0.07 Allowed 'General case' 0 C--N 1.398 2.69 1 C-N-CA 132.251 4.22 . . . . 0.0 105.736 175.135 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.6 tp -150.08 154.62 8.77 Favored 'Isoleucine or valine' 0 C--N 1.387 2.199 0 CA-C-O 122.59 1.186 . . . . 0.0 111.779 -169.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.9 mp -79.14 113.85 19.06 Favored 'Isoleucine or valine' 0 C--N 1.39 2.337 0 N-CA-C 103.306 -2.85 . . . . 0.0 103.306 168.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.8 ttp85 -159.62 111.38 2.06 Favored 'General case' 0 C--N 1.38 1.918 0 N-CA-C 101.91 -3.367 . . . . 0.0 101.91 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.461 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -141.41 -170.59 3.12 Favored 'General case' 0 C--N 1.38 1.921 0 CA-C-N 114.047 -1.433 . . . . 0.0 113.796 -161.917 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -176.92 -179.04 47.13 Favored Glycine 0 C--N 1.391 3.584 1 C-N-CA 112.734 -4.555 . . . . 0.0 120.338 -176.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.2 t -69.83 102.33 1.92 Allowed 'General case' 0 C--N 1.38 1.9 0 CA-C-N 110.493 -2.853 . . . . 0.0 108.577 -177.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.5 -111.67 0.26 Allowed Glycine 0 C--N 1.397 3.918 0 N-CA-C 107.421 -2.272 . . . . 0.0 107.421 174.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.488 ' SG ' ' N ' ' A' ' 40' ' ' PHE 2.316 20.7 t 106.04 -170.96 0.0 OUTLIER 'General case' 0 C--N 1.385 2.138 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 176.496 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.488 ' N ' ' SG ' ' A' ' 39' ' ' CYS 0.259 0.1 OUTLIER . . . . . 0 C--N 1.379 1.881 0 CA-C-N 113.692 -1.595 . . . . 0.0 108.297 172.159 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.554 2.489 0 CA-C-O 121.635 0.575 . . . . 0.0 114.535 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -82.69 178.42 6.11 Favored 'Trans proline' 0 C--N 1.387 2.563 0 C-N-CA 122.779 2.319 . . . . 0.0 110.02 176.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -117.27 146.61 43.19 Favored 'General case' 0 C--N 1.388 2.266 0 CA-C-O 118.652 -0.69 . . . . 0.0 110.151 179.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 4.1 m -135.6 162.77 31.77 Favored 'General case' 0 C--N 1.405 2.995 0 N-CA-C 120.258 3.429 . . . . 0.0 120.258 -162.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.0 t -142.1 152.14 42.98 Favored 'General case' 0 C--N 1.39 2.348 0 CA-C-N 113.27 -1.786 . . . . 0.0 110.881 179.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -123.89 51.65 1.52 Allowed 'General case' 0 C--N 1.388 2.273 0 O-C-N 121.391 -0.818 . . . . 0.0 110.827 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 54.3 p -152.45 169.76 21.79 Favored 'General case' 0 C--N 1.381 1.975 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.596 177.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -66.95 110.33 3.31 Favored 'General case' 0 CA--C 1.589 2.455 0 CA-C-O 122.867 1.318 . . . . 0.0 109.745 -167.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.314 0.0 OUTLIER 69.85 -70.7 0.14 Allowed 'General case' 0 C--N 1.396 2.597 0 C-N-CA 129.655 3.182 . . . . 0.0 111.5 -175.42 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 16.3 m 78.93 -47.87 0.42 Allowed 'General case' 0 C--N 1.382 2.015 0 C-N-CA 127.491 2.316 . . . . 0.0 109.52 -173.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -162.1 69.7 0.29 Allowed 'General case' 0 C--N 1.389 2.3 0 N-CA-C 105.371 -2.085 . . . . 0.0 105.371 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.527 ' OXT' ' NZ ' ' A' ' 24' ' ' LYS . 3.3 mm? . . . . . 0 CA--C 1.598 2.812 0 CA-C-O 115.579 -2.153 . . . . 0.0 109.63 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.41 ' HG3' HH11 ' A' ' 1' ' ' ARG . 35.3 mtt85 . . . . . 0 N--CA 1.532 3.634 0 N-CA-C 106.388 -1.708 . . . . 0.0 106.388 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.3 mp -140.04 128.91 27.02 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.107 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 177.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.3 m -137.68 151.97 48.81 Favored 'General case' 0 CA--C 1.594 2.662 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 168.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -111.58 148.22 33.76 Favored 'General case' 0 C--N 1.397 2.633 0 O-C-N 120.859 -1.151 . . . . 0.0 114.044 -165.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -123.43 24.03 8.78 Favored 'General case' 0 C--N 1.383 2.036 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.357 -176.433 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.212 58.1 m-70 -86.27 -153.48 0.19 Allowed 'General case' 0 C--N 1.39 2.369 0 C-N-CA 128.469 2.708 . . . . 0.0 113.334 177.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.261 32.9 mt 67.16 -174.17 0.19 Allowed 'General case' 0 C--N 1.39 2.355 0 CA-C-O 121.901 0.858 . . . . 0.0 110.798 -178.499 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.12 -71.35 3.0 Favored Glycine 0 C--N 1.384 3.197 0 N-CA-C 104.865 -3.294 . . . . 0.0 104.865 -166.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.8 m 173.81 -45.99 0.01 OUTLIER 'General case' 0 C--N 1.391 2.394 0 C-N-CA 125.096 1.358 . . . . 0.0 107.776 177.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -52.03 153.17 4.87 Favored Pre-proline 0 CA--C 1.587 2.384 0 CA-C-O 121.636 0.731 . . . . 0.0 110.22 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -55.66 159.44 11.27 Favored 'Trans proline' 0 C--N 1.399 3.226 0 N-CA-C 116.258 1.599 . . . . 0.0 116.258 -171.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -68.37 144.31 61.37 Favored 'Trans proline' 0 C--N 1.399 3.194 0 CA-C-O 124.116 1.632 . . . . 0.0 115.645 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.2 p -146.69 129.32 16.07 Favored 'General case' 0 C--N 1.378 1.813 0 N-CA-C 102.874 -3.01 . . . . 0.0 102.874 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 46.3 p -132.87 145.99 51.42 Favored 'General case' 0 C--N 1.38 1.924 0 O-C-N 121.169 -0.957 . . . . 0.0 109.513 -168.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -107.16 95.26 5.59 Favored 'General case' 0 C--N 1.381 1.968 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 -172.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.4 m -79.44 106.4 11.45 Favored 'General case' 0 C--N 1.393 2.47 0 N-CA-C 102.014 -3.328 . . . . 0.0 102.014 166.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.0 t -119.19 155.83 30.96 Favored 'General case' 0 C--N 1.385 2.115 0 C-N-CA 124.211 1.004 . . . . 0.0 111.827 -174.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.91 42.47 2.17 Favored 'General case' 0 C--N 1.376 1.742 0 C-N-CA 125.73 1.612 . . . . 0.0 111.227 -177.317 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -119.34 158.74 25.52 Favored 'General case' 0 C--N 1.389 2.286 0 CA-C-O 122.327 1.061 . . . . 0.0 113.862 -176.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.087 1.3 m-20 -45.94 -49.24 16.0 Favored 'General case' 0 C--N 1.384 2.095 0 C-N-CA 128.573 2.749 . . . . 0.0 109.363 178.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 65.9 m -131.94 145.05 51.26 Favored 'General case' 0 C--N 1.392 2.427 0 CA-C-O 123.397 1.57 . . . . 0.0 113.108 -175.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.337 12.1 p -135.66 137.46 41.84 Favored 'General case' 0 C--N 1.385 2.152 0 CA-C-O 123.759 1.742 . . . . 0.0 108.154 167.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -119.25 160.1 22.83 Favored 'General case' 0 C--N 1.379 1.863 0 CA-C-N 113.659 -1.61 . . . . 0.0 114.582 -161.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -101.12 126.98 47.87 Favored 'General case' 0 C--N 1.386 2.16 0 CA-C-N 112.575 -2.102 . . . . 0.0 107.547 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.582 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 17.7 t-20 -118.97 126.29 51.4 Favored 'General case' 0 CA--C 1.579 2.084 0 N-CA-C 102.753 -3.054 . . . . 0.0 102.753 179.605 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.7 -11.64 3.7 Favored 'Isoleucine or valine' 0 C--N 1.401 2.814 0 N-CA-C 117.859 2.54 . . . . 0.0 117.859 -150.593 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.582 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -94.22 -107.43 0.13 Allowed 'General case' 0 CA--C 1.588 2.436 1 C-N-CA 133.594 4.758 . . . . 0.0 107.973 -174.254 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.5 t 77.2 151.87 0.13 Allowed 'General case' 0 C--N 1.39 2.367 0 C-N-CA 125.959 1.704 . . . . 0.0 114.104 173.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -56.93 -40.49 76.45 Favored 'General case' 0 C--N 1.393 2.478 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.792 175.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -80.09 4.05 18.46 Favored 'General case' 0 CA--C 1.575 1.937 0 C-N-CA 126.38 1.872 . . . . 0.0 112.915 -176.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 62.83 68.68 0.63 Allowed 'General case' 0 C--N 1.399 2.755 0 CA-C-N 122.851 2.569 . . . . 0.0 106.278 174.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 tp -166.18 162.99 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.394 2.533 0 C-N-CA 116.358 -2.137 . . . . 0.0 114.128 -170.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 74.7 mt -98.88 105.9 18.06 Favored 'Isoleucine or valine' 0 C--N 1.389 2.288 0 N-CA-C 103.956 -2.609 . . . . 0.0 103.956 175.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.543 HH11 ' HG2' ' A' ' 34' ' ' ARG . 6.3 ttp85 -142.13 113.21 7.53 Favored 'General case' 0 C--N 1.387 2.228 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 -171.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.11 -170.76 3.49 Favored 'General case' 0 C--N 1.397 2.673 0 N-CA-C 115.28 1.585 . . . . 0.0 115.28 -153.733 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 179.18 -163.82 31.6 Favored Glycine 0 C--N 1.397 3.956 0 C-N-CA 114.328 -3.796 . . . . 0.0 117.526 -169.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.8 p -95.55 118.37 32.14 Favored 'General case' 0 C--N 1.395 2.576 0 CA-C-O 123.334 1.54 . . . . 0.0 111.421 -176.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.21 -98.69 0.11 Allowed Glycine 0 C--N 1.393 3.717 0 N-CA-C 105.089 -3.204 . . . . 0.0 105.089 176.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.359 8.1 t 74.99 -150.73 0.04 OUTLIER 'General case' 0 C--N 1.39 2.327 0 C-N-CA 118.658 -1.217 . . . . 0.0 111.529 -178.66 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 . . . . . 0 C--N 1.382 1.999 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.21 178.279 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.561 2.93 0 N-CA-C 111.742 -0.543 . . . . 0.0 111.742 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -70.36 174.64 9.74 Favored 'Trans proline' 0 C--N 1.389 2.706 0 C-N-CA 120.829 1.019 . . . . 0.0 114.535 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.435 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -101.62 122.4 43.79 Favored 'General case' 0 CA--C 1.579 2.074 0 N-CA-C 104.789 -2.3 . . . . 0.0 104.789 178.433 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.11 156.37 25.34 Favored 'General case' 0 C--N 1.396 2.587 0 O-C-N 120.693 -1.254 . . . . 0.0 114.349 -169.317 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.3 t -136.67 162.92 31.82 Favored 'General case' 0 C--N 1.383 2.031 0 CA-C-N 114.13 -1.395 . . . . 0.0 111.539 -175.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -133.04 48.04 2.44 Favored 'General case' 0 C--N 1.385 2.128 0 CA-C-O 121.739 0.781 . . . . 0.0 110.053 -178.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.42 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 23.6 t -143.6 153.24 42.33 Favored 'General case' 0 C--N 1.382 1.985 0 C-N-CA 125.227 1.411 . . . . 0.0 107.88 177.308 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.521 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 42.2 t0 -64.8 125.78 25.87 Favored 'General case' 0 CA--C 1.584 2.26 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 -178.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.521 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.288 2.4 mptt 73.71 -60.0 0.54 Allowed 'General case' 0 C--N 1.398 2.693 0 C-N-CA 127.588 2.355 . . . . 0.0 111.88 -178.367 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 54' ' ' SER . 73.3 m 62.15 50.45 3.96 Favored 'General case' 0 C--N 1.38 1.921 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 -171.783 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 41.2 t30 64.71 83.51 0.17 Allowed 'General case' 0 C--N 1.391 2.405 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 44.7 mt . . . . . 0 CA--C 1.6 2.882 0 C-N-CA 125.847 1.659 . . . . 0.0 109.249 177.141 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 1 N--CA 1.544 4.239 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.2 mp -83.59 127.47 39.71 Favored 'Isoleucine or valine' 0 C--N 1.398 2.705 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 178.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.1 m -144.17 139.97 29.09 Favored 'General case' 0 C--N 1.387 2.222 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 173.002 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -82.89 164.58 20.4 Favored 'General case' 0 C--N 1.386 2.178 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -166.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -149.33 49.34 0.96 Allowed 'General case' 0 C--N 1.389 2.308 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 173.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.211 13.0 m170 -89.52 -149.89 0.2 Allowed 'General case' 0 C--N 1.386 2.194 0 C-N-CA 125.659 1.584 . . . . 0.0 109.874 177.267 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.585 HD13 HD11 ' A' ' 32' ' ' ILE . 11.4 mt 64.0 -172.57 0.17 Allowed 'General case' 0 C--N 1.383 2.03 0 CA-C-O 122.212 1.006 . . . . 0.0 112.584 174.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.52 -47.33 3.03 Favored Glycine 0 C--N 1.386 3.336 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -173.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.6 m 178.16 -37.79 0.01 OUTLIER 'General case' 0 C--N 1.385 2.149 0 C-N-CA 126.967 2.107 . . . . 0.0 105.992 -177.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -106.68 122.62 41.25 Favored Pre-proline 0 C--N 1.386 2.153 0 C-N-CA 126.477 1.911 . . . . 0.0 110.507 -174.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -88.55 2.41 6.14 Favored 'Trans proline' 0 C--N 1.407 3.63 0 N-CA-C 120.928 3.395 . . . . 0.0 120.928 176.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -82.4 -23.37 4.24 Favored 'Trans proline' 0 C--N 1.405 3.537 1 N-CA-C 126.492 5.536 . . . . 0.0 126.492 -173.162 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.9 p -84.56 129.49 34.84 Favored 'General case' 0 C--N 1.394 2.526 0 CA-C-N 125.483 3.765 . . . . 0.0 113.166 -176.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 78.0 p -123.37 142.55 50.86 Favored 'General case' 0 C--N 1.379 1.888 0 C-N-CA 127.881 2.472 . . . . 0.0 106.41 171.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -113.62 102.13 9.99 Favored 'General case' 0 C--N 1.381 1.956 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 -170.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 t -69.13 122.08 18.05 Favored 'General case' 0 C--N 1.4 2.766 0 N-CA-C 103.476 -2.787 . . . . 0.0 103.476 169.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.1 t -137.19 148.12 46.34 Favored 'General case' 0 C--N 1.39 2.327 0 CA-C-O 124.592 2.139 . . . . 0.0 112.191 -172.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.5 pm0 -94.74 -6.54 42.87 Favored 'General case' 0 C--N 1.374 1.649 0 CA-C-N 112.053 -2.34 . . . . 0.0 111.091 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -68.67 114.94 7.48 Favored 'General case' 0 C--N 1.393 2.486 0 N-CA-C 103.069 -2.937 . . . . 0.0 103.069 175.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.183 70.9 m-20 -60.32 1.47 0.12 Allowed 'General case' 0 C--N 1.388 2.242 0 C-N-CA 127.584 2.354 . . . . 0.0 113.667 -177.506 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.9 p -147.57 144.03 28.18 Favored 'General case' 0 C--N 1.382 1.997 0 N-CA-C 106.517 -1.661 . . . . 0.0 106.517 175.151 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.4 p -136.33 149.84 48.58 Favored 'General case' 0 C--N 1.381 1.96 0 CA-C-O 123.894 1.807 . . . . 0.0 111.12 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.403 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 40.2 p90 -116.62 150.67 37.7 Favored 'General case' 0 C--N 1.378 1.843 0 CA-C-N 112.845 -1.98 . . . . 0.0 114.134 -163.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.481 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -116.19 116.26 27.49 Favored 'General case' 0 C--N 1.388 2.264 0 CA-C-O 124.066 1.889 . . . . 0.0 106.798 179.72 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -117.32 107.92 14.97 Favored 'General case' 0 CA--C 1.584 2.276 0 N-CA-C 101.922 -3.362 . . . . 0.0 101.922 -175.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -109.25 -25.25 3.67 Favored 'Isoleucine or valine' 0 C--N 1.398 2.714 0 N-CA-C 118.531 2.789 . . . . 0.0 118.531 -157.568 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.605 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -73.54 -102.13 0.01 OUTLIER 'General case' 0 CA--C 1.584 2.286 1 C-N-CA 134.577 5.151 . . . . 0.0 107.675 177.559 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.1 t 77.45 159.27 0.2 Allowed 'General case' 0 C--N 1.392 2.45 0 C-N-CA 125.367 1.467 . . . . 0.0 112.322 177.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -73.59 -35.53 65.42 Favored 'General case' 0 C--N 1.389 2.31 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.578 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.467 ' CG ' HH21 ' A' ' 34' ' ' ARG . 42.0 p-10 -79.17 3.38 17.89 Favored 'General case' 0 CA--C 1.586 2.34 0 C-N-CA 125.367 1.467 . . . . 0.0 112.116 174.04 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 64.27 69.75 0.52 Allowed 'General case' 0 C--N 1.396 2.612 0 C-N-CA 127.08 2.152 . . . . 0.0 109.323 169.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.585 HD11 HD13 ' A' ' 7' ' ' LEU . 3.4 tp -168.09 163.53 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.392 2.428 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 -174.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.6 mt -84.35 102.71 10.7 Favored 'Isoleucine or valine' 0 C--N 1.391 2.409 0 N-CA-C 105.191 -2.151 . . . . 0.0 105.191 170.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.583 HH11 ' HG2' ' A' ' 34' ' ' ARG . 1.7 ttp85 -146.0 111.67 5.54 Favored 'General case' 0 C--N 1.383 2.038 0 N-CA-C 102.084 -3.302 . . . . 0.0 102.084 -179.025 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.6 -167.84 2.26 Favored 'General case' 0 C--N 1.393 2.458 0 CA-C-N 113.663 -1.608 . . . . 0.0 112.571 -155.613 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 175.22 -165.41 36.41 Favored Glycine 0 C--N 1.391 3.616 0 C-N-CA 114.221 -3.847 . . . . 0.0 118.021 -175.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.8 p -85.55 122.01 29.06 Favored 'General case' 0 C--N 1.386 2.156 0 CA-C-O 122.363 1.078 . . . . 0.0 111.154 -177.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.41 -102.1 0.15 Allowed Glycine 0 C--N 1.397 3.935 0 N-CA-C 106.551 -2.62 . . . . 0.0 106.551 175.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.353 0.5 OUTLIER 77.6 -160.5 0.03 OUTLIER 'General case' 0 C--N 1.39 2.354 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 175.456 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 . . . . . 0 C--N 1.386 2.167 0 N-CA-C 105.249 -2.13 . . . . 0.0 105.249 -179.459 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 2.539 0 N-CA-C 114.43 0.532 . . . . 0.0 114.43 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.403 ' HB2' ' HB2' ' A' ' 23' ' ' TYR 0.25 16.8 Cg_exo -52.51 171.07 0.22 Allowed 'Trans proline' 0 C--N 1.394 2.947 0 C-N-CA 122.602 2.201 . . . . 0.0 112.252 164.127 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . 0.34 29.9 p90 -81.23 126.76 31.92 Favored 'General case' 0 C--N 1.389 2.322 0 C-N-CA 116.071 -2.252 . . . . 0.0 105.6 176.462 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 43.1 t -119.26 132.87 55.97 Favored 'General case' 0 C--N 1.389 2.292 0 CA-C-O 122.423 1.106 . . . . 0.0 110.93 -166.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 9.9 t -120.53 161.1 21.87 Favored 'General case' 0 C--N 1.386 2.161 0 C-N-CA 124.494 1.118 . . . . 0.0 112.266 -178.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -129.61 50.97 2.11 Favored 'General case' 0 C--N 1.384 2.107 0 CA-C-O 121.9 0.857 . . . . 0.0 110.484 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.1 t -147.58 -174.36 4.52 Favored 'General case' 0 C--N 1.384 2.079 0 CA-C-O 122.076 0.941 . . . . 0.0 109.904 175.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.506 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 25.5 t0 -72.4 111.11 7.3 Favored 'General case' 0 CA--C 1.59 2.502 0 N-CA-C 107.07 -1.456 . . . . 0.0 107.07 -173.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.506 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.294 10.0 mptt 76.12 -72.52 0.1 Allowed 'General case' 0 C--N 1.4 2.782 0 C-N-CA 125.843 1.657 . . . . 0.0 110.977 176.042 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 43.5 m 66.15 63.0 0.57 Allowed 'General case' 0 C--N 1.38 1.894 0 C-N-CA 125.501 1.52 . . . . 0.0 107.701 -178.068 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 13.1 t30 62.74 79.53 0.26 Allowed 'General case' 0 C--N 1.389 2.285 0 N-CA-C 105.95 -1.87 . . . . 0.0 105.95 175.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.481 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 57.9 mt . . . . . 0 CA--C 1.595 2.699 0 C-N-CA 124.958 1.303 . . . . 0.0 108.427 177.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 1 N--CA 1.543 4.185 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.4 mp -107.69 133.61 51.95 Favored 'Isoleucine or valine' 0 C--N 1.387 2.204 0 CA-C-O 122.334 1.064 . . . . 0.0 109.464 -178.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 91.9 m -139.57 168.54 19.59 Favored 'General case' 0 C--N 1.385 2.145 0 CA-C-O 122.391 1.091 . . . . 0.0 109.081 163.261 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -78.78 145.19 34.49 Favored 'General case' 0 C--N 1.377 1.792 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.145 -177.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -133.3 31.66 3.76 Favored 'General case' 0 C--N 1.386 2.184 0 O-C-N 121.242 -0.911 . . . . 0.0 110.86 174.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.196 1.8 m-70 -78.38 -168.41 1.33 Allowed 'General case' 0 C--N 1.385 2.141 0 C-N-CA 125.048 1.339 . . . . 0.0 114.222 -177.724 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 54.6 mt 69.86 -179.3 0.23 Allowed 'General case' 0 C--N 1.389 2.301 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 172.135 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.18 20.41 55.17 Favored Glycine 0 C--N 1.385 3.295 0 CA-C-O 117.186 -1.897 . . . . 0.0 113.816 -174.151 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.3 m 106.37 -37.54 0.01 OUTLIER 'General case' 0 C--N 1.393 2.462 0 C-N-CA 130.532 3.533 . . . . 0.0 110.115 176.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -84.96 162.17 50.47 Favored Pre-proline 0 C--N 1.383 2.047 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -177.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -71.51 164.72 34.78 Favored 'Trans proline' 0 C--N 1.4 3.284 0 N-CA-C 117.051 1.904 . . . . 0.0 117.051 -168.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.8 OUTLIER -53.32 142.54 56.82 Favored 'Trans proline' 0 C--N 1.395 3.01 0 C-N-CA 123.146 2.564 . . . . 0.0 116.059 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.265 70.6 p -167.08 155.23 9.6 Favored 'General case' 0 C--N 1.39 2.354 0 C-N-CA 125.205 1.402 . . . . 0.0 108.02 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.6 p -132.92 149.27 52.26 Favored 'General case' 0 C--N 1.38 1.912 0 CA-C-O 123.148 1.452 . . . . 0.0 109.035 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -111.84 87.03 2.46 Favored 'General case' 0 C--N 1.378 1.846 0 N-CA-C 105.689 -1.967 . . . . 0.0 105.689 -167.316 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.6 m -79.78 101.77 8.66 Favored 'General case' 0 C--N 1.392 2.447 0 N-CA-C 103.585 -2.746 . . . . 0.0 103.585 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 39.6 t -125.82 164.64 20.25 Favored 'General case' 0 C--N 1.39 2.334 0 CA-C-O 123.081 1.42 . . . . 0.0 114.732 -165.022 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -85.58 -23.2 27.72 Favored 'General case' 0 C--N 1.38 1.935 0 CA-C-N 113.555 -1.657 . . . . 0.0 113.321 -176.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -71.86 137.78 47.75 Favored 'General case' 0 C--N 1.388 2.257 0 CA-C-O 123.264 1.507 . . . . 0.0 109.195 -175.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.15 30.3 m-20 -46.4 -50.47 16.59 Favored 'General case' 0 C--N 1.384 2.095 0 C-N-CA 128.983 2.913 . . . . 0.0 111.063 -175.265 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.9 t -116.73 140.22 49.67 Favored 'General case' 0 C--N 1.381 1.946 0 CA-C-O 123.854 1.788 . . . . 0.0 109.986 -172.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.5 p -134.34 147.68 50.6 Favored 'General case' 0 C--N 1.383 2.025 0 CA-C-O 123.503 1.62 . . . . 0.0 109.853 177.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -122.12 165.94 15.31 Favored 'General case' 0 C--N 1.381 1.938 0 N-CA-C 116.661 2.097 . . . . 0.0 116.661 -160.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.463 ' NZ ' ' OXT' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -114.49 116.07 28.26 Favored 'General case' 0 C--N 1.385 2.141 0 CA-C-N 112.83 -1.987 . . . . 0.0 106.675 -178.734 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.617 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 3.8 t30 -118.27 121.92 41.65 Favored 'General case' 0 C--N 1.382 1.991 0 N-CA-C 103.925 -2.62 . . . . 0.0 103.925 -179.26 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -132.51 -27.1 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.403 2.919 0 N-CA-C 117.649 2.463 . . . . 0.0 117.649 -154.372 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.617 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -69.1 -114.28 0.0 OUTLIER 'General case' 0 CA--C 1.603 2.985 1 C-N-CA 133.21 4.604 . . . . 0.0 108.52 173.399 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.1 t 81.8 154.12 0.11 Allowed 'General case' 0 C--N 1.396 2.62 0 C-N-CA 126.32 1.848 . . . . 0.0 112.613 178.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.5 p90 -69.09 -31.99 71.11 Favored 'General case' 0 C--N 1.397 2.642 0 O-C-N 121.611 -0.681 . . . . 0.0 110.811 176.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -76.93 -4.54 44.43 Favored 'General case' 0 CA--C 1.579 2.069 0 CA-C-O 117.504 -1.236 . . . . 0.0 111.315 173.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.4 t30 58.16 73.68 0.46 Allowed 'General case' 0 C--N 1.397 2.632 0 CA-C-N 121.97 2.168 . . . . 0.0 105.345 176.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.4 tp -158.56 153.67 5.64 Favored 'Isoleucine or valine' 0 C--N 1.389 2.29 0 C-N-CA 118.765 -1.174 . . . . 0.0 111.602 -170.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -89.22 121.72 39.69 Favored 'Isoleucine or valine' 0 C--N 1.39 2.35 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 175.564 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.51 HH11 ' HG2' ' A' ' 34' ' ' ARG . 7.1 ttp85 -163.36 95.59 0.84 Allowed 'General case' 0 C--N 1.387 2.209 0 N-CA-C 101.453 -3.536 . . . . 0.0 101.453 -173.532 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.56 ' HG2' HH11 ' A' ' 35' ' ' ARG . 11.9 ptt-85 -138.93 -169.71 2.7 Favored 'General case' 0 C--N 1.378 1.836 0 CA-C-N 111.505 -2.589 . . . . 0.0 112.005 -159.414 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 165.21 -165.3 37.68 Favored Glycine 0 C--N 1.394 3.751 0 C-N-CA 114.255 -3.831 . . . . 0.0 119.126 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.6 p -81.83 127.05 32.58 Favored 'General case' 0 C--N 1.393 2.488 0 CA-C-O 123.418 1.58 . . . . 0.0 110.982 -178.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.73 -75.62 0.04 OUTLIER Glycine 0 C--N 1.387 3.416 0 N-CA-C 103.963 -3.655 . . . . 0.0 103.963 171.114 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.478 ' SG ' ' N ' ' A' ' 40' ' ' PHE 2.426 52.6 t 72.0 -173.33 0.16 Allowed 'General case' 0 C--N 1.383 2.026 0 CA-C-N 112.165 -2.018 . . . . 0.0 113.167 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.478 ' N ' ' SG ' ' A' ' 39' ' ' CYS . 4.3 m-85 . . . . . 0 CA--C 1.572 1.8 0 CA-C-N 113.474 -1.694 . . . . 0.0 110.351 170.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 2.558 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -80.56 159.25 22.22 Favored 'Trans proline' 0 C--N 1.38 2.223 0 CA-C-O 123.078 1.199 . . . . 0.0 113.492 -175.296 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -82.2 142.82 31.85 Favored 'General case' 0 C--N 1.388 2.28 0 CA-C-N 113.757 -1.565 . . . . 0.0 108.161 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.7 m -127.93 152.6 47.68 Favored 'General case' 0 C--N 1.389 2.316 0 CA-C-O 123.859 1.79 . . . . 0.0 115.54 -172.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 8.7 t -126.03 164.41 20.91 Favored 'General case' 0 C--N 1.377 1.77 0 CA-C-N 112.117 -2.31 . . . . 0.0 108.444 170.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -127.21 34.07 4.79 Favored 'General case' 0 C--N 1.377 1.773 0 O-C-N 121.403 -0.811 . . . . 0.0 110.452 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.2 t -129.41 170.58 13.49 Favored 'General case' 0 C--N 1.378 1.825 0 C-N-CA 124.294 1.038 . . . . 0.0 110.208 178.068 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.481 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 43.3 t0 -76.65 122.05 24.12 Favored 'General case' 0 C--N 1.391 2.377 0 C-N-CA 117.816 -1.554 . . . . 0.0 108.039 -169.65 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.481 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 28.3 mmtm 74.11 -56.37 0.64 Allowed 'General case' 0 C--N 1.391 2.41 0 C-N-CA 126.448 1.899 . . . . 0.0 109.174 178.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 29.9 t 47.53 57.1 6.21 Favored 'General case' 0 C--N 1.382 2.018 0 C-N-CA 128.761 2.824 . . . . 0.0 106.694 176.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 69.6 71.09 0.24 Allowed 'General case' 0 C--N 1.388 2.258 0 C-N-CA 124.869 1.268 . . . . 0.0 109.018 171.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.463 ' OXT' ' NZ ' ' A' ' 24' ' ' LYS . 25.2 mt . . . . . 0 CA--C 1.61 3.282 0 C-N-CA 126.499 1.92 . . . . 0.0 114.9 164.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.532 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.533 3.715 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 36.2 mt -90.05 131.24 37.81 Favored 'Isoleucine or valine' 0 C--N 1.392 2.415 0 CA-C-O 122.646 1.213 . . . . 0.0 108.93 -177.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.7 p -141.7 140.65 33.22 Favored 'General case' 0 C--N 1.381 1.972 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 167.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -75.84 -174.4 2.6 Favored 'General case' 0 C--N 1.394 2.537 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -167.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -155.22 47.15 0.52 Allowed 'General case' 0 C--N 1.387 2.223 0 N-CA-C 105.817 -1.919 . . . . 0.0 105.817 171.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.185 24.3 m170 -87.81 -144.61 0.13 Allowed 'General case' 0 C--N 1.388 2.257 0 C-N-CA 126.977 2.111 . . . . 0.0 110.688 178.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.29 5.3 mp 63.79 -179.13 0.16 Allowed 'General case' 0 C--N 1.386 2.181 0 CA-C-O 123.137 1.446 . . . . 0.0 111.405 179.127 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.8 -3.96 67.43 Favored Glycine 0 CA--C 1.57 3.489 0 CA-C-O 117.407 -1.774 . . . . 0.0 113.02 -172.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.2 m 107.22 -44.88 0.0 OUTLIER 'General case' 0 C--N 1.392 2.421 1 C-N-CA 132.209 4.204 . . . . 0.0 107.919 -176.645 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.488 ' NZ ' ' CG ' ' A' ' 30' ' ' ASP . 1.8 mptt -60.01 133.03 89.86 Favored Pre-proline 0 CA--C 1.602 2.947 0 C-N-CA 125.04 1.336 . . . . 0.0 108.833 179.515 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -103.31 -5.06 0.24 Allowed 'Trans proline' 1 C--N 1.415 4.064 0 N-CA-C 122.075 3.836 . . . . 0.0 122.075 -176.398 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_exo -90.81 -28.55 0.2 Allowed 'Trans proline' 0 C--N 1.408 3.708 1 N-CA-C 127.995 6.114 . . . . 0.0 127.995 -170.608 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.3 p -81.05 139.04 35.95 Favored 'General case' 0 C--N 1.392 2.421 0 CA-C-N 124.543 3.338 . . . . 0.0 115.261 -172.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 52.8 p -129.53 164.77 23.05 Favored 'General case' 0 CA--C 1.577 1.998 0 C-N-CA 128.954 2.902 . . . . 0.0 108.871 170.404 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -132.94 101.76 5.37 Favored 'General case' 0 C--N 1.388 2.267 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -176.022 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.3 m -79.38 104.27 9.88 Favored 'General case' 0 C--N 1.395 2.555 0 N-CA-C 102.777 -3.045 . . . . 0.0 102.777 170.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -121.91 148.9 44.16 Favored 'General case' 0 C--N 1.387 2.223 0 CA-C-O 123.034 1.397 . . . . 0.0 111.438 -170.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -105.9 -10.39 16.66 Favored 'General case' 0 C--N 1.374 1.665 0 CA-C-N 113.81 -1.541 . . . . 0.0 110.1 174.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -70.3 105.91 3.16 Favored 'General case' 0 C--N 1.399 2.731 0 N-CA-C 102.038 -3.319 . . . . 0.0 102.038 168.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 1' ' ' ARG 2.154 90.1 m-20 -52.46 0.64 0.01 OUTLIER 'General case' 0 C--N 1.387 2.217 1 C-N-CA 131.722 4.009 . . . . 0.0 117.168 -170.587 . . . . . . . . 4 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 60.4 p -147.26 147.74 30.72 Favored 'General case' 0 C--N 1.38 1.898 0 CA-C-N 121.696 2.043 . . . . 0.0 107.71 175.153 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.4 p -140.57 151.76 44.96 Favored 'General case' 0 C--N 1.381 1.972 0 CA-C-O 123.797 1.76 . . . . 0.0 112.334 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -113.92 160.13 19.13 Favored 'General case' 0 C--N 1.379 1.873 0 CA-C-N 112.625 -2.08 . . . . 0.0 114.49 -164.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.46 ' NZ ' ' OXT' ' A' ' 59' ' ' LEU . 28.8 mttt -116.86 107.45 14.63 Favored 'General case' 0 C--N 1.378 1.82 0 N-CA-C 102.954 -2.98 . . . . 0.0 102.954 -177.519 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.445 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 0.4 OUTLIER -115.25 120.79 40.85 Favored 'General case' 0 CA--C 1.577 2.013 0 N-CA-C 102.965 -2.976 . . . . 0.0 102.965 -171.821 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -120.67 -12.21 9.24 Favored 'Isoleucine or valine' 0 C--N 1.395 2.579 0 N-CA-C 117.741 2.497 . . . . 0.0 117.741 -153.064 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.445 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -101.41 28.24 5.64 Favored 'General case' 0 CA--C 1.566 1.587 1 C-N-CA 135.998 5.719 . . . . 0.0 112.114 -178.018 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.94 178.66 7.28 Favored 'General case' 0 C--N 1.391 2.412 0 CA-C-N 121.69 2.041 . . . . 0.0 112.407 -176.356 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -59.43 -43.9 92.99 Favored 'General case' 0 C--N 1.383 2.047 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.001 -177.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.488 ' CG ' ' NZ ' ' A' ' 10' ' ' LYS . 65.8 m-20 -69.51 0.34 5.43 Favored 'General case' 0 CA--C 1.594 2.644 0 CA-C-O 117.729 -1.129 . . . . 0.0 110.19 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 60.08 74.04 0.46 Allowed 'General case' 0 C--N 1.4 2.763 0 N-CA-C 104.19 -2.522 . . . . 0.0 104.19 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.6 tp -167.06 166.08 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.399 2.75 0 C-N-CA 115.687 -2.405 . . . . 0.0 115.097 -162.103 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.7 mm -88.11 95.74 5.41 Favored 'Isoleucine or valine' 0 C--N 1.387 2.235 0 N-CA-C 104.282 -2.488 . . . . 0.0 104.282 172.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.553 HH11 ' HG2' ' A' ' 34' ' ' ARG . 10.8 ttp85 -145.9 127.85 15.48 Favored 'General case' 0 C--N 1.385 2.149 0 N-CA-C 103.974 -2.602 . . . . 0.0 103.974 -177.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.441 HH22 ' C ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -168.58 -165.79 0.61 Allowed 'General case' 0 C--N 1.399 2.755 0 C-N-CA 116.309 -2.156 . . . . 0.0 114.697 -146.189 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 169.53 -167.03 40.18 Favored Glycine 0 C--N 1.394 3.782 0 C-N-CA 115.022 -3.466 . . . . 0.0 117.203 -175.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 35.8 m -68.73 123.46 20.98 Favored 'General case' 0 C--N 1.388 2.277 0 CA-C-O 123.317 1.532 . . . . 0.0 111.027 -177.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.2 -111.59 0.26 Allowed Glycine 0 C--N 1.393 3.717 0 N-CA-C 105.185 -3.166 . . . . 0.0 105.185 170.053 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.405 22.2 t 75.59 -42.09 0.46 Allowed 'General case' 0 C--N 1.391 2.411 0 C-N-CA 124.693 1.197 . . . . 0.0 112.515 173.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 . . . . . 0 CA--C 1.591 2.529 0 N-CA-C 103.419 -2.808 . . . . 0.0 103.419 172.499 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.554 2.497 0 N-CA-C 112.089 -0.404 . . . . 0.0 112.089 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -64.98 153.71 76.91 Favored 'Trans proline' 0 C--N 1.39 2.752 0 CA-C-O 122.978 1.158 . . . . 0.0 114.179 178.451 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -86.08 135.09 33.76 Favored 'General case' 0 C--N 1.382 2.003 0 CA-C-N 113.501 -1.682 . . . . 0.0 107.307 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 28.6 p -126.66 169.78 12.78 Favored 'General case' 0 C--N 1.389 2.318 0 N-CA-C 116.957 2.206 . . . . 0.0 116.957 -173.345 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.1 t -130.37 157.05 43.65 Favored 'General case' 0 C--N 1.377 1.791 0 CA-C-N 111.532 -2.576 . . . . 0.0 109.676 177.122 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . 0.26 2.5 pt-20 -132.24 59.72 1.71 Allowed 'General case' 0 C--N 1.378 1.833 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 174.365 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.6 t -149.79 155.13 39.58 Favored 'General case' 0 C--N 1.385 2.143 0 CA-C-N 113.715 -1.584 . . . . 0.0 108.323 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.466 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 31.7 t70 -67.47 119.28 12.02 Favored 'General case' 0 C--N 1.39 2.341 0 CA-C-O 122.286 1.041 . . . . 0.0 109.175 -173.445 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.466 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 33.3 mmtm 73.28 -56.61 0.65 Allowed 'General case' 0 C--N 1.392 2.443 0 C-N-CA 127.849 2.46 . . . . 0.0 109.272 177.565 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.3 t 64.16 50.74 2.34 Favored 'General case' 0 C--N 1.382 1.988 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 173.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.306 57.4 m-20 75.22 -3.36 2.62 Favored 'General case' 0 C--N 1.388 2.264 0 C-N-CA 127.281 2.233 . . . . 0.0 113.347 177.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.46 ' OXT' ' NZ ' ' A' ' 24' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.394 2.522 0 N-CA-C 103.314 -2.847 . . . . 0.0 103.314 173.319 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.448 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.535 3.791 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.6 mm -93.08 121.17 43.55 Favored 'Isoleucine or valine' 0 C--N 1.388 2.281 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 174.146 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.3 m -127.88 178.72 5.97 Favored 'General case' 0 C--N 1.385 2.141 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 161.149 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -89.5 153.89 20.45 Favored 'General case' 0 C--N 1.381 1.973 0 O-C-N 121.442 -0.786 . . . . 0.0 111.82 -179.115 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -151.65 65.53 0.87 Allowed 'General case' 0 C--N 1.384 2.102 0 N-CA-C 102.508 -3.145 . . . . 0.0 102.508 167.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.152 11.2 m170 -105.49 -172.26 2.06 Favored 'General case' 0 C--N 1.382 2.003 0 C-N-CA 129.349 3.059 . . . . 0.0 112.141 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.272 25.5 mt 67.89 -169.39 0.19 Allowed 'General case' 0 C--N 1.375 1.702 0 CA-C-O 123.277 1.513 . . . . 0.0 113.421 173.679 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.59 47.6 20.67 Favored Glycine 0 C--N 1.382 3.09 0 N-CA-C 107.769 -2.133 . . . . 0.0 107.769 -168.111 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 33.4 m 87.53 -30.07 0.05 OUTLIER 'General case' 0 C--N 1.394 2.533 0 C-N-CA 130.175 3.39 . . . . 0.0 111.063 -178.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -113.47 110.24 50.39 Favored Pre-proline 0 CA--C 1.594 2.658 0 C-N-CA 124.501 1.12 . . . . 0.0 108.194 -169.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -90.37 -3.01 5.25 Favored 'Trans proline' 0 CA--C 1.6 3.807 0 N-CA-C 122.493 3.997 . . . . 0.0 122.493 -174.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -82.58 -16.77 7.77 Favored 'Trans proline' 0 C--N 1.403 3.403 1 N-CA-C 130.042 6.901 . . . . 0.0 130.042 -172.114 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.5 p -101.26 157.23 16.94 Favored 'General case' 0 C--N 1.389 2.295 1 CA-C-N 126.405 4.184 . . . . 0.0 116.721 -174.32 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 73.7 p -127.58 146.87 50.38 Favored 'General case' 0 C--N 1.376 1.74 0 CA-C-N 112.935 -1.938 . . . . 0.0 107.947 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -92.45 87.31 5.94 Favored 'General case' 0 C--N 1.375 1.682 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 -175.383 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.7 t -74.14 121.34 21.02 Favored 'General case' 0 C--N 1.394 2.522 0 N-CA-C 104.215 -2.513 . . . . 0.0 104.215 169.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 12.6 t -153.05 152.64 31.58 Favored 'General case' 0 C--N 1.39 2.36 0 CA-C-O 122.981 1.372 . . . . 0.0 112.801 -165.15 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -95.34 -5.47 43.33 Favored 'General case' 0 C--N 1.376 1.74 0 CA-C-N 113.132 -1.849 . . . . 0.0 110.951 174.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -74.11 109.35 7.54 Favored 'General case' 0 C--N 1.396 2.6 0 N-CA-C 102.329 -3.212 . . . . 0.0 102.329 178.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.18 69.1 m-20 -60.57 7.13 0.03 OUTLIER 'General case' 0 C--N 1.389 2.317 0 C-N-CA 129.607 3.163 . . . . 0.0 117.764 -165.267 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.8 m -158.06 145.13 17.96 Favored 'General case' 0 C--N 1.377 1.785 0 CA-C-N 121.704 2.047 . . . . 0.0 105.957 178.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.338 26.7 p -139.74 151.19 45.63 Favored 'General case' 0 C--N 1.386 2.162 0 CA-C-O 123.625 1.679 . . . . 0.0 113.688 -173.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -123.26 145.79 48.39 Favored 'General case' 0 C--N 1.387 2.207 0 CA-C-N 112.921 -1.945 . . . . 0.0 113.994 -158.094 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.568 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 55.3 mttm -92.18 139.98 30.08 Favored 'General case' 0 C--N 1.387 2.211 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 176.181 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.424 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 2.1 t30 -147.36 123.52 10.83 Favored 'General case' 0 C--N 1.379 1.888 0 N-CA-C 104.509 -2.404 . . . . 0.0 104.509 -169.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -132.76 -7.23 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.401 2.818 0 N-CA-C 117.926 2.565 . . . . 0.0 117.926 -150.034 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.507 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -104.81 -94.79 0.34 Allowed 'General case' 0 CA--C 1.576 1.943 1 C-N-CA 134.132 4.973 . . . . 0.0 106.272 -173.31 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.2 t 78.2 -5.66 2.05 Favored 'General case' 0 C--N 1.389 2.288 0 C-N-CA 125.562 1.545 . . . . 0.0 113.058 173.086 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . 0.278 83.5 m-85 88.91 -38.73 0.02 OUTLIER 'General case' 0 C--N 1.389 2.322 0 CA-C-N 121.987 2.176 . . . . 0.0 111.107 179.541 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.2 p-10 -81.37 -10.29 59.57 Favored 'General case' 0 CA--C 1.576 1.964 0 C-N-CA 124.907 1.283 . . . . 0.0 111.103 172.205 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 77.79 75.57 0.07 Allowed 'General case' 0 C--N 1.394 2.539 0 C-N-CA 126.818 2.047 . . . . 0.0 107.456 173.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.5 tp -163.69 157.75 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.394 2.529 0 C-N-CA 117.828 -1.549 . . . . 0.0 113.348 -176.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.5 mm -88.44 102.01 12.33 Favored 'Isoleucine or valine' 0 C--N 1.392 2.423 0 N-CA-C 105.473 -2.047 . . . . 0.0 105.473 175.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.429 HH11 ' HG2' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -151.58 110.92 3.94 Favored 'General case' 0 C--N 1.385 2.111 0 N-CA-C 101.59 -3.485 . . . . 0.0 101.59 -176.752 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.66 -166.89 2.61 Favored 'General case' 0 C--N 1.381 1.965 0 CA-C-N 111.379 -2.646 . . . . 0.0 111.726 -155.012 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 177.04 -173.94 46.68 Favored Glycine 0 C--N 1.395 3.842 1 C-N-CA 112.999 -4.429 . . . . 0.0 119.229 -175.252 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.2 p -84.71 122.28 28.86 Favored 'General case' 0 C--N 1.392 2.418 0 CA-C-O 123.376 1.56 . . . . 0.0 108.185 175.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.36 -87.14 0.06 OUTLIER Glycine 0 C--N 1.387 3.394 0 N-CA-C 103.246 -3.942 . . . . 0.0 103.246 175.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.381 42.9 t 79.49 -48.92 0.39 Allowed 'General case' 0 C--N 1.384 2.098 0 CA-C-O 121.779 0.799 . . . . 0.0 110.179 177.387 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--N 1.38 1.909 0 N-CA-C 102.57 -3.122 . . . . 0.0 102.57 -175.079 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 2.213 0 CA-C-O 122.277 0.932 . . . . 0.0 112.733 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -69.52 178.19 4.67 Favored 'Trans proline' 0 C--N 1.383 2.356 0 O-C-N 123.442 1.233 . . . . 0.0 109.797 171.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -123.1 137.3 54.96 Favored 'General case' 0 C--N 1.384 2.106 0 CA-C-O 121.663 0.744 . . . . 0.0 109.977 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 2.7 m -118.74 168.23 10.93 Favored 'General case' 0 C--N 1.398 2.717 0 N-CA-C 119.187 3.032 . . . . 0.0 119.187 -160.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 13.5 t -141.36 154.39 45.63 Favored 'General case' 0 C--N 1.377 1.783 0 CA-C-N 110.271 -3.149 . . . . 0.0 107.715 177.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -119.29 50.27 1.25 Allowed 'General case' 0 C--N 1.376 1.76 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.8 t -137.18 175.32 9.72 Favored 'General case' 0 C--N 1.385 2.117 0 CA-C-N 115.289 -0.869 . . . . 0.0 112.131 -175.001 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.519 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 33.0 t0 -84.91 119.51 25.44 Favored 'General case' 0 CA--C 1.579 2.071 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 -178.239 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.519 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.306 1.0 OUTLIER 74.54 -67.0 0.27 Allowed 'General case' 0 C--N 1.393 2.498 0 C-N-CA 126.735 2.014 . . . . 0.0 109.101 -177.932 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.275 10.7 t 78.39 27.96 0.49 Allowed 'General case' 0 CA--C 1.582 2.201 0 C-N-CA 126.976 2.11 . . . . 0.0 110.654 178.604 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.5 m120 58.82 71.85 0.56 Allowed 'General case' 0 C--N 1.392 2.434 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 172.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.568 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 16.8 tp . . . . . 0 CA--C 1.588 2.406 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 177.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.53 3.527 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.0 mp -103.43 117.86 49.56 Favored 'Isoleucine or valine' 0 C--N 1.388 2.266 0 N-CA-C 107.035 -1.468 . . . . 0.0 107.035 -178.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.2 m -138.84 147.49 42.54 Favored 'General case' 0 C--N 1.387 2.203 0 CA-C-O 122.875 1.321 . . . . 0.0 107.774 172.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -68.61 149.08 49.57 Favored 'General case' 0 C--N 1.383 2.033 0 CA-C-N 115.315 -0.857 . . . . 0.0 113.272 -164.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -142.05 43.06 1.68 Allowed 'General case' 0 C--N 1.388 2.247 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 177.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.218 8.5 m170 -83.06 -144.07 0.07 Allowed 'General case' 0 C--N 1.386 2.181 0 C-N-CA 125.217 1.407 . . . . 0.0 107.917 174.094 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.319 5.6 mp 66.6 -179.87 0.21 Allowed 'General case' 0 C--N 1.389 2.291 0 O-C-N 120.838 -1.164 . . . . 0.0 113.524 174.491 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.404 ' H ' HG12 ' A' ' 32' ' ' ILE . . . 88.92 -63.7 3.47 Favored Glycine 0 C--N 1.389 3.478 0 N-CA-C 108.01 -2.036 . . . . 0.0 108.01 -169.469 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.6 m -165.46 -50.37 0.03 OUTLIER 'General case' 0 C--N 1.379 1.887 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -82.8 133.79 48.31 Favored Pre-proline 0 CA--C 1.591 2.552 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.173 -176.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -102.65 -6.42 0.24 Allowed 'Trans proline' 1 C--N 1.415 4.057 0 N-CA-C 119.442 2.824 . . . . 0.0 119.442 178.563 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -75.65 -20.72 15.35 Favored 'Trans proline' 0 C--N 1.402 3.388 1 N-CA-C 125.785 5.263 . . . . 0.0 125.785 -173.832 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.7 p -95.06 154.04 17.36 Favored 'General case' 0 C--N 1.393 2.481 0 CA-C-N 124.958 3.526 . . . . 0.0 114.677 -176.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 67.5 p -131.03 143.27 50.58 Favored 'General case' 0 C--N 1.375 1.708 0 CA-C-N 112.76 -2.018 . . . . 0.0 107.62 174.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -88.74 92.84 9.36 Favored 'General case' 0 C--N 1.384 2.098 0 N-CA-C 105.094 -2.188 . . . . 0.0 105.094 -171.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 69.7 m -83.75 101.32 11.5 Favored 'General case' 0 C--N 1.39 2.337 0 N-CA-C 103.421 -2.807 . . . . 0.0 103.421 -178.4 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.0 t -139.18 161.28 37.79 Favored 'General case' 0 C--N 1.393 2.483 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -165.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.83 -11.32 45.12 Favored 'General case' 0 C--N 1.384 2.069 0 CA-C-N 114.187 -1.37 . . . . 0.0 113.121 -177.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -70.01 123.9 22.71 Favored 'General case' 0 C--N 1.391 2.394 0 N-CA-C 104.465 -2.42 . . . . 0.0 104.465 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.095 15.9 m-20 -46.8 -34.47 5.32 Favored 'General case' 0 C--N 1.385 2.115 0 C-N-CA 128.988 2.915 . . . . 0.0 114.068 -175.143 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.5 m -121.94 172.22 8.36 Favored 'General case' 0 C--N 1.379 1.891 0 C-N-CA 124.89 1.276 . . . . 0.0 111.944 -175.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.2 p -150.37 159.36 44.52 Favored 'General case' 0 C--N 1.385 2.146 0 C-N-CA 117.627 -1.629 . . . . 0.0 112.951 176.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -124.76 154.8 40.35 Favored 'General case' 0 C--N 1.376 1.741 0 CA-C-N 113.62 -1.627 . . . . 0.0 114.629 -167.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.553 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 64.5 mmtt -108.23 115.11 29.51 Favored 'General case' 0 C--N 1.387 2.196 0 N-CA-C 104.685 -2.339 . . . . 0.0 104.685 176.683 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.466 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 0.6 OUTLIER -119.21 119.9 35.47 Favored 'General case' 0 CA--C 1.58 2.102 0 N-CA-C 103.852 -2.647 . . . . 0.0 103.852 -175.545 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.1 9.64 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.402 2.89 0 N-CA-C 117.105 2.261 . . . . 0.0 117.105 -152.601 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.501 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -104.06 -109.46 0.26 Allowed 'General case' 0 CA--C 1.594 2.663 0 C-N-CA 131.425 3.89 . . . . 0.0 106.515 -172.478 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.5 t 75.51 162.25 0.25 Allowed 'General case' 0 C--N 1.392 2.423 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 173.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -71.19 -46.47 61.21 Favored 'General case' 0 C--N 1.391 2.373 0 CA-C-N 114.746 -1.116 . . . . 0.0 109.471 175.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -63.59 -6.12 4.86 Favored 'General case' 0 CA--C 1.581 2.17 0 CA-C-O 116.334 -1.793 . . . . 0.0 112.019 176.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 65.64 76.03 0.33 Allowed 'General case' 0 C--N 1.401 2.836 0 CA-C-N 123.333 2.788 . . . . 0.0 104.948 174.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.404 HG12 ' H ' ' A' ' 8' ' ' GLY . 2.9 tp -167.52 167.43 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.401 2.829 0 C-N-CA 116.019 -2.272 . . . . 0.0 115.55 -166.433 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.5 mt -103.74 100.55 10.69 Favored 'Isoleucine or valine' 0 C--N 1.392 2.433 0 N-CA-C 105.945 -1.872 . . . . 0.0 105.945 173.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.8 ttp85 -140.75 117.32 10.86 Favored 'General case' 0 C--N 1.382 1.99 0 N-CA-C 103.083 -2.932 . . . . 0.0 103.083 -177.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.418 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -157.87 -169.43 2.83 Favored 'General case' 0 C--N 1.389 2.31 0 CA-C-N 113.718 -1.583 . . . . 0.0 112.72 -156.801 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 169.57 -166.91 40.08 Favored Glycine 0 C--N 1.394 3.758 1 C-N-CA 113.348 -4.263 . . . . 0.0 118.888 -172.5 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.1 p -70.22 124.12 23.35 Favored 'General case' 0 C--N 1.392 2.421 0 CA-C-O 122.892 1.33 . . . . 0.0 110.985 -177.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.41 -94.0 0.09 OUTLIER Glycine 0 C--N 1.392 3.673 0 N-CA-C 106.006 -2.838 . . . . 0.0 106.006 171.066 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.421 ' O ' ' SG ' ' A' ' 39' ' ' CYS 2.382 34.4 t 85.02 -47.52 0.08 Allowed 'General case' 0 C--N 1.383 2.038 0 C-N-CA 125.563 1.545 . . . . 0.0 111.188 179.289 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 . . . . . 0 CA--C 1.574 1.887 0 N-CA-C 101.036 -3.69 . . . . 0.0 101.036 -175.843 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 1.966 0 CA-C-O 122.255 0.919 . . . . 0.0 115.062 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -56.27 168.12 2.21 Favored 'Trans proline' 0 C--N 1.387 2.585 0 C-N-CA 121.677 1.585 . . . . 0.0 114.938 175.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -96.23 154.68 17.12 Favored 'General case' 0 C--N 1.382 1.982 0 CA-C-N 113.652 -1.613 . . . . 0.0 107.323 173.389 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 15.2 m -138.49 157.69 45.7 Favored 'General case' 0 C--N 1.392 2.426 0 N-CA-C 117.939 2.57 . . . . 0.0 117.939 -165.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 23.9 t -119.32 169.1 10.29 Favored 'General case' 0 C--N 1.374 1.641 0 CA-C-N 109.947 -3.297 . . . . 0.0 109.559 172.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -143.76 37.75 1.32 Allowed 'General case' 0 C--N 1.381 1.94 0 C-N-CA 118.305 -1.358 . . . . 0.0 112.0 -178.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.9 p -135.88 174.6 10.43 Favored 'General case' 0 C--N 1.379 1.865 0 C-N-CA 124.036 0.934 . . . . 0.0 111.261 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.513 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 24.6 t0 -68.57 130.56 43.21 Favored 'General case' 0 CA--C 1.585 2.307 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 171.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.513 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 39.9 mmtm 74.04 -83.75 0.03 OUTLIER 'General case' 0 C--N 1.39 2.348 0 C-N-CA 126.326 1.85 . . . . 0.0 112.224 171.213 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 32.1 p 51.58 68.08 0.86 Allowed 'General case' 0 C--N 1.383 2.038 0 C-N-CA 128.771 2.828 . . . . 0.0 109.395 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 66.47 53.93 0.93 Allowed 'General case' 0 C--N 1.386 2.166 0 O-C-N 121.844 -0.535 . . . . 0.0 110.363 168.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.553 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 6.6 tp . . . . . 0 CA--C 1.585 2.301 0 CA-C-O 116.921 -1.514 . . . . 0.0 108.608 164.041 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.485 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.53 3.525 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -84.79 121.93 37.47 Favored 'Isoleucine or valine' 0 C--N 1.387 2.202 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 -179.364 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.6 m -127.11 161.7 27.83 Favored 'General case' 0 C--N 1.391 2.375 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 162.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -75.97 165.09 25.48 Favored 'General case' 0 C--N 1.381 1.957 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 -169.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 49.8 p-10 -142.93 22.85 1.92 Allowed 'General case' 0 C--N 1.392 2.422 0 C-N-CA 119.381 -0.927 . . . . 0.0 110.468 168.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.215 85.2 m-70 -63.93 179.45 0.52 Allowed 'General case' 0 C--N 1.391 2.389 0 C-N-CA 126.227 1.811 . . . . 0.0 114.218 -176.293 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.311 62.7 mt 75.73 -172.23 0.1 Allowed 'General case' 0 C--N 1.381 1.956 0 C-N-CA 125.381 1.473 . . . . 0.0 114.029 176.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.72 -113.24 3.96 Favored Glycine 0 C--N 1.383 3.186 0 N-CA-C 105.62 -2.992 . . . . 0.0 105.62 -165.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.8 m -82.14 -44.11 16.89 Favored 'General case' 0 C--N 1.382 2.006 0 O-C-N 121.722 -0.869 . . . . 0.0 110.674 -179.435 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.5 tttm -98.38 140.93 22.17 Favored Pre-proline 0 C--N 1.389 2.284 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -169.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -63.88 168.76 11.43 Favored 'Trans proline' 0 C--N 1.402 3.363 0 C-N-CA 121.627 1.552 . . . . 0.0 113.966 166.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -32.13 132.39 0.08 OUTLIER 'Trans proline' 0 C--N 1.391 2.774 1 C-N-CA 125.65 4.234 . . . . 0.0 115.701 -176.952 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 174.2 157.31 0.14 Allowed 'General case' 0 CA--C 1.587 2.39 0 C-N-CA 129.28 3.032 . . . . 0.0 105.481 -179.048 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 53.3 p -137.85 169.26 18.09 Favored 'General case' 0 C--N 1.39 2.333 0 N-CA-C 115.477 1.658 . . . . 0.0 115.477 -159.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -111.3 105.49 14.16 Favored 'General case' 0 C--N 1.384 2.108 0 CA-C-O 122.638 1.208 . . . . 0.0 107.954 -173.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.6 m -79.37 121.33 25.01 Favored 'General case' 0 C--N 1.39 2.351 0 N-CA-C 105.446 -2.057 . . . . 0.0 105.446 176.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.3 t -147.38 148.25 31.13 Favored 'General case' 0 C--N 1.393 2.495 0 CA-C-O 123.49 1.614 . . . . 0.0 112.199 -173.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . 0.258 3.0 mp0 -98.14 -2.8 39.15 Favored 'General case' 0 CA--C 1.571 1.77 0 CA-C-N 113.201 -1.818 . . . . 0.0 111.161 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -66.13 119.04 10.73 Favored 'General case' 0 C--N 1.404 2.952 0 N-CA-C 102.644 -3.095 . . . . 0.0 102.644 163.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.109 50.8 m-20 -65.91 4.86 0.56 Allowed 'General case' 0 C--N 1.388 2.257 0 C-N-CA 129.643 3.177 . . . . 0.0 115.835 -172.379 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.2 t -146.68 129.81 16.5 Favored 'General case' 0 C--N 1.375 1.714 0 N-CA-C 103.554 -2.758 . . . . 0.0 103.554 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.5 p -140.25 147.55 40.16 Favored 'General case' 0 C--N 1.38 1.917 0 CA-C-O 123.736 1.731 . . . . 0.0 110.449 -178.029 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -130.77 166.67 20.29 Favored 'General case' 0 C--N 1.383 2.037 0 N-CA-C 116.715 2.117 . . . . 0.0 116.715 -158.267 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.414 ' NZ ' ' O ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -106.46 125.81 51.47 Favored 'General case' 0 C--N 1.38 1.898 0 CA-C-N 110.522 -3.035 . . . . 0.0 106.766 179.45 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.527 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 3.7 t30 -133.39 124.09 26.52 Favored 'General case' 0 C--N 1.382 1.98 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 -169.418 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.85 -5.71 2.3 Favored 'Isoleucine or valine' 0 C--N 1.401 2.824 0 N-CA-C 118.1 2.63 . . . . 0.0 118.1 -152.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.527 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -96.66 -88.62 0.28 Allowed 'General case' 0 CA--C 1.577 1.995 1 C-N-CA 136.349 5.859 . . . . 0.0 106.746 179.015 . . . . . . . . 4 4 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.5 t 86.59 -66.61 0.03 OUTLIER 'General case' 0 C--N 1.39 2.359 0 C-N-CA 127.444 2.298 . . . . 0.0 107.598 177.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 57.9 t80 160.34 -46.4 0.0 OUTLIER 'General case' 0 C--N 1.383 2.051 0 C-N-CA 127.564 2.346 . . . . 0.0 104.818 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -71.28 -16.06 62.45 Favored 'General case' 0 C--N 1.385 2.11 0 C-N-CA 126.229 1.812 . . . . 0.0 113.261 174.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 79.89 83.2 0.05 Allowed 'General case' 0 C--N 1.39 2.353 0 C-N-CA 126.779 2.032 . . . . 0.0 106.94 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.2 tp -171.77 164.11 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.39 2.366 0 C-N-CA 119.476 -0.89 . . . . 0.0 111.066 -175.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.5 mp -98.09 95.75 4.67 Favored 'Isoleucine or valine' 0 C--N 1.39 2.354 0 N-CA-C 106.657 -1.608 . . . . 0.0 106.657 -179.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.57 114.37 9.39 Favored 'General case' 0 C--N 1.383 2.054 0 N-CA-C 103.024 -2.954 . . . . 0.0 103.024 -176.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 ptt-85 -145.9 -168.98 3.13 Favored 'General case' 0 C--N 1.385 2.123 0 CA-C-N 112.886 -1.961 . . . . 0.0 114.116 -155.076 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 173.81 -166.21 38.32 Favored Glycine 0 C--N 1.394 3.772 0 C-N-CA 115.027 -3.463 . . . . 0.0 117.208 -174.3 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.4 p -92.87 129.89 38.64 Favored 'General case' 0 C--N 1.39 2.332 0 CA-C-O 123.716 1.722 . . . . 0.0 112.006 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.92 -76.86 0.04 OUTLIER Glycine 0 C--N 1.389 3.483 0 N-CA-C 103.515 -3.834 . . . . 0.0 103.515 171.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.372 46.5 t 70.49 -157.62 0.14 Allowed 'General case' 0 C--N 1.388 2.244 0 CA-C-O 122.405 1.098 . . . . 0.0 113.2 175.227 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 . . . . . 0 C--N 1.384 2.098 0 CA-C-N 113.95 -1.477 . . . . 0.0 107.399 172.303 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.563 3.051 0 N-CA-C 106.704 -2.558 . . . . 0.0 106.704 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -66.76 165.86 24.31 Favored 'Trans proline' 0 C--N 1.383 2.361 0 CA-C-O 122.553 0.98 . . . . 0.0 110.856 177.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 39.2 p90 -101.56 137.93 39.23 Favored 'General case' 0 C--N 1.384 2.094 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 178.317 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 2.8 m -128.85 164.47 23.01 Favored 'General case' 0 C--N 1.395 2.558 0 N-CA-C 117.542 2.423 . . . . 0.0 117.542 -163.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.9 t -131.37 162.67 29.59 Favored 'General case' 0 C--N 1.378 1.815 0 CA-C-N 111.773 -2.467 . . . . 0.0 109.905 173.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -125.89 38.02 4.23 Favored 'General case' 0 C--N 1.38 1.912 0 CA-C-O 122.041 0.924 . . . . 0.0 108.886 171.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.45 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 0.4 OUTLIER -130.79 -172.98 2.95 Favored 'General case' 0 C--N 1.385 2.143 0 C-N-CA 125.644 1.578 . . . . 0.0 111.202 -178.333 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.453 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 37.1 t70 -84.18 106.34 15.73 Favored 'General case' 0 CA--C 1.576 1.981 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 -176.356 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.453 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.272 11.5 mptt 73.19 -60.34 0.54 Allowed 'General case' 0 C--N 1.396 2.63 0 C-N-CA 126.154 1.782 . . . . 0.0 111.556 176.356 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.45 ' SG ' ' HB3' ' A' ' 54' ' ' SER 0.262 3.4 m 60.74 65.14 1.06 Allowed 'General case' 0 C--N 1.374 1.654 0 C-N-CA 127.301 2.241 . . . . 0.0 105.352 -175.909 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.3 m120 84.24 -66.34 0.06 Allowed 'General case' 0 C--N 1.387 2.231 0 C-N-CA 127.948 2.499 . . . . 0.0 111.371 170.169 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.414 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 95.7 mt . . . . . 0 CA--C 1.628 3.962 0 CA-C-O 115.93 -1.986 . . . . 0.0 109.077 -177.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.49 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.533 3.706 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.8 mp -97.99 129.12 48.67 Favored 'Isoleucine or valine' 0 C--N 1.387 2.221 0 CA-C-O 121.891 0.853 . . . . 0.0 111.667 -169.019 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -139.97 152.31 46.21 Favored 'General case' 0 C--N 1.391 2.398 0 O-C-N 121.231 -0.918 . . . . 0.0 108.702 170.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.443 ' CD1' HG22 ' A' ' 14' ' ' THR . 5.7 m-85 -104.89 153.72 21.0 Favored 'General case' 0 C--N 1.392 2.428 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -165.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -115.98 22.98 12.57 Favored 'General case' 0 C--N 1.386 2.19 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 175.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.182 20.5 m170 -72.25 -173.84 1.17 Allowed 'General case' 0 C--N 1.39 2.341 0 C-N-CA 127.486 2.315 . . . . 0.0 114.584 -176.685 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.25 49.5 mt 76.31 -169.93 0.08 Allowed 'General case' 0 C--N 1.386 2.153 0 C-N-CA 125.819 1.648 . . . . 0.0 113.862 176.052 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.35 -54.37 3.52 Favored Glycine 0 C--N 1.385 3.3 0 N-CA-C 110.028 -1.229 . . . . 0.0 110.028 -173.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.4 m -164.36 -41.5 0.03 OUTLIER 'General case' 0 C--N 1.377 1.794 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 -174.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -106.47 126.82 29.5 Favored Pre-proline 0 CA--C 1.581 2.149 0 C-N-CA 123.906 0.883 . . . . 0.0 110.791 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -87.03 -15.45 3.73 Favored 'Trans proline' 0 C--N 1.408 3.668 1 N-CA-C 123.897 4.537 . . . . 0.0 123.897 177.213 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -85.19 -23.53 2.35 Favored 'Trans proline' 0 C--N 1.394 2.966 1 N-CA-C 128.977 6.491 . . . . 0.0 128.977 -168.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.3 p -82.13 140.89 33.53 Favored 'General case' 0 C--N 1.391 2.391 0 CA-C-N 124.652 3.387 . . . . 0.0 114.067 -171.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.443 HG22 ' CD1' ' A' ' 4' ' ' TYR . 55.5 p -134.06 159.74 39.89 Favored 'General case' 0 C--N 1.383 2.027 0 CA-C-N 113.154 -1.839 . . . . 0.0 111.433 -175.358 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -124.6 100.87 6.85 Favored 'General case' 0 C--N 1.384 2.097 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 -169.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 54.1 m -81.64 109.39 16.03 Favored 'General case' 0 C--N 1.389 2.305 0 N-CA-C 102.219 -3.252 . . . . 0.0 102.219 175.313 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.8 t -120.03 156.34 31.1 Favored 'General case' 0 C--N 1.393 2.458 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -161.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.91 2.19 43.49 Favored 'General case' 0 C--N 1.384 2.104 0 C-N-CA 124.897 1.279 . . . . 0.0 111.272 172.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.458 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 26.5 mm-40 -94.06 108.69 20.5 Favored 'General case' 0 C--N 1.392 2.456 0 N-CA-C 103.659 -2.719 . . . . 0.0 103.659 175.732 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.147 83.1 m-20 -52.43 -20.28 2.74 Favored 'General case' 0 CA--C 1.58 2.1 0 C-N-CA 129.239 3.016 . . . . 0.0 116.848 -171.71 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.4 t -130.76 154.04 48.4 Favored 'General case' 0 C--N 1.378 1.835 0 C-N-CA 125.057 1.343 . . . . 0.0 109.83 -177.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.4 p -145.57 154.3 42.02 Favored 'General case' 0 C--N 1.386 2.178 0 C-N-CA 118.331 -1.348 . . . . 0.0 113.158 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -117.62 139.4 51.04 Favored 'General case' 0 C--N 1.384 2.067 0 CA-C-N 113.925 -1.489 . . . . 0.0 112.317 -167.484 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -91.25 119.59 31.45 Favored 'General case' 0 CA--C 1.58 2.124 0 N-CA-C 105.619 -1.993 . . . . 0.0 105.619 176.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.508 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 1.4 t30 -113.27 115.3 27.97 Favored 'General case' 0 CA--C 1.582 2.202 0 N-CA-C 100.954 -3.721 . . . . 0.0 100.954 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -121.28 -13.57 7.99 Favored 'Isoleucine or valine' 0 C--N 1.398 2.705 0 N-CA-C 117.748 2.499 . . . . 0.0 117.748 -153.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.564 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -86.76 -99.58 0.07 Allowed 'General case' 0 CA--C 1.59 2.49 1 C-N-CA 135.954 5.702 . . . . 0.0 105.799 178.758 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.301 12.3 t 87.69 -76.38 0.01 OUTLIER 'General case' 0 C--N 1.392 2.414 0 C-N-CA 126.443 1.897 . . . . 0.0 107.375 173.425 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.6 p90 179.84 -47.17 0.01 OUTLIER 'General case' 0 C--N 1.388 2.252 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 179.196 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.8 p30 -69.93 -35.32 74.45 Favored 'General case' 0 C--N 1.378 1.823 0 C-N-CA 129.314 3.046 . . . . 0.0 111.468 176.296 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 96.29 79.33 0.0 OUTLIER 'General case' 0 C--N 1.386 2.194 0 C-N-CA 129.939 3.296 . . . . 0.0 104.592 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.3 tp -157.76 156.58 4.08 Favored 'Isoleucine or valine' 0 C--N 1.394 2.521 0 C-N-CA 118.393 -1.323 . . . . 0.0 114.037 -174.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 85.3 mt -91.11 90.79 3.38 Favored 'Isoleucine or valine' 0 C--N 1.392 2.44 0 N-CA-C 104.916 -2.253 . . . . 0.0 104.916 177.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -135.93 101.47 4.75 Favored 'General case' 0 C--N 1.382 1.989 0 N-CA-C 101.817 -3.401 . . . . 0.0 101.817 -176.275 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.411 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -143.55 -173.69 4.03 Favored 'General case' 0 C--N 1.394 2.54 0 N-CA-C 116.18 1.919 . . . . 0.0 116.18 -151.797 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -132.85 157.23 22.52 Favored Glycine 0 C--N 1.395 3.841 0 N-CA-C 118.634 2.214 . . . . 0.0 118.634 -169.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.458 ' SG ' ' HB2' ' A' ' 19' ' ' GLU . 34.9 t -85.62 108.26 17.9 Favored 'General case' 0 C--N 1.383 2.051 0 N-CA-C 104.063 -2.569 . . . . 0.0 104.063 172.74 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -165.89 -86.78 0.06 OUTLIER Glycine 0 C--N 1.397 3.967 0 N-CA-C 106.396 -2.682 . . . . 0.0 106.396 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 40' ' ' PHE 2.39 42.0 t 72.97 -161.54 0.1 Allowed 'General case' 0 C--N 1.388 2.256 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 175.781 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.405 ' N ' ' SG ' ' A' ' 39' ' ' CYS . 4.1 m-85 . . . . . 0 C--N 1.383 2.037 0 CA-C-N 113.787 -1.551 . . . . 0.0 108.254 174.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.564 3.115 0 CA-C-O 114.818 -3.212 . . . . 0.0 114.298 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 0.0 OUTLIER 46.52 -157.58 0.0 OUTLIER 'Trans proline' 1 C--N 1.421 4.377 0 CA-C-N 122.112 2.956 . . . . 0.0 118.4 166.907 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.25 136.82 53.91 Favored 'General case' 0 CA--C 1.583 2.223 0 N-CA-C 105.936 -1.876 . . . . 0.0 105.936 176.008 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.6 m -121.98 164.67 17.23 Favored 'General case' 0 C--N 1.395 2.573 0 N-CA-C 117.769 2.507 . . . . 0.0 117.769 -170.174 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.9 t -135.92 160.89 37.21 Favored 'General case' 0 C--N 1.383 2.059 0 CA-C-N 112.854 -1.975 . . . . 0.0 109.999 174.527 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . 0.255 9.0 pt-20 -136.24 53.19 1.94 Allowed 'General case' 0 C--N 1.386 2.162 0 O-C-N 121.3 -0.875 . . . . 0.0 110.101 176.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.8 t -157.46 88.81 1.01 Allowed 'General case' 0 C--N 1.39 2.345 0 N-CA-C 105.866 -1.901 . . . . 0.0 105.866 177.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.1 t0 60.38 -157.23 0.34 Allowed 'General case' 0 C--N 1.391 2.376 0 CA-C-O 123.504 1.621 . . . . 0.0 109.207 176.338 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -25.55 66.04 Favored 'General case' 0 C--N 1.384 2.103 0 CA-C-N 114.492 -1.231 . . . . 0.0 111.04 178.358 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 27.2 t 66.58 44.97 2.15 Favored 'General case' 0 C--N 1.389 2.301 0 CA-C-N 120.3 1.409 . . . . 0.0 107.795 172.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.9 t30 64.57 100.22 0.04 OUTLIER 'General case' 0 C--N 1.394 2.516 0 C-N-CA 127.149 2.179 . . . . 0.0 107.825 177.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.6 tp . . . . . 0 C--N 1.39 2.346 0 N-CA-C 104.958 -2.238 . . . . 0.0 104.958 -179.149 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.474 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.535 3.816 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 65.8 mt -82.39 126.57 40.0 Favored 'Isoleucine or valine' 0 C--N 1.395 2.553 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 -178.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -151.81 138.9 19.15 Favored 'General case' 0 C--N 1.393 2.466 0 N-CA-C 107.081 -1.452 . . . . 0.0 107.081 176.581 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -94.69 152.11 18.74 Favored 'General case' 0 C--N 1.4 2.771 0 N-CA-C 115.97 1.841 . . . . 0.0 115.97 -160.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -128.27 57.21 1.58 Allowed 'General case' 0 C--N 1.386 2.165 0 N-CA-C 103.859 -2.645 . . . . 0.0 103.859 175.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.193 13.3 m170 -98.53 -165.3 1.23 Allowed 'General case' 0 C--N 1.385 2.113 0 C-N-CA 128.382 2.673 . . . . 0.0 111.165 175.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.473 ' H ' ' HA ' ' A' ' 11' ' ' PRO 0.361 4.5 mp 76.57 -179.14 0.14 Allowed 'General case' 0 C--N 1.385 2.126 0 N-CA-C 116.027 1.862 . . . . 0.0 116.027 170.354 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.82 -50.22 3.43 Favored Glycine 0 C--N 1.39 3.546 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.094 -171.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 88.2 m -166.9 -38.09 0.02 OUTLIER 'General case' 0 C--N 1.382 1.983 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 -175.345 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -113.5 112.19 48.88 Favored Pre-proline 0 C--N 1.389 2.287 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -178.424 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.473 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 36.9 Cg_exo -86.93 -3.26 8.11 Favored 'Trans proline' 0 CA--C 1.593 3.465 0 N-CA-C 120.165 3.102 . . . . 0.0 120.165 179.252 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -76.5 -21.85 12.8 Favored 'Trans proline' 0 C--N 1.398 3.157 1 N-CA-C 126.227 5.434 . . . . 0.0 126.227 -172.503 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.4 p -92.56 142.2 27.65 Favored 'General case' 0 C--N 1.394 2.511 0 CA-C-N 125.152 3.615 . . . . 0.0 115.177 -173.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 59.1 p -128.42 144.07 51.08 Favored 'General case' 0 C--N 1.379 1.867 0 CA-C-N 112.006 -2.361 . . . . 0.0 108.842 -177.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -112.45 99.68 8.18 Favored 'General case' 0 C--N 1.384 2.08 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 -167.589 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.4 m -75.63 100.17 4.54 Favored 'General case' 0 C--N 1.391 2.403 0 N-CA-C 101.965 -3.346 . . . . 0.0 101.965 171.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 38.2 t -115.38 154.13 29.77 Favored 'General case' 0 C--N 1.384 2.065 0 CA-C-O 123.524 1.63 . . . . 0.0 110.421 -172.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -99.27 -12.25 20.54 Favored 'General case' 0 C--N 1.374 1.632 0 CA-C-N 112.677 -2.056 . . . . 0.0 111.564 -171.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -70.5 113.08 7.27 Favored 'General case' 0 C--N 1.395 2.545 0 N-CA-C 102.612 -3.107 . . . . 0.0 102.612 171.047 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.2 68.6 m-20 -59.09 8.45 0.01 OUTLIER 'General case' 0 C--N 1.389 2.301 0 C-N-CA 130.44 3.496 . . . . 0.0 117.071 -169.524 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.4 p -153.46 149.68 28.0 Favored 'General case' 0 C--N 1.377 1.797 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 171.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.1 p -142.03 163.81 31.88 Favored 'General case' 0 C--N 1.38 1.915 0 C-N-CA 118.009 -1.476 . . . . 0.0 113.313 -175.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 44.1 p90 -130.43 149.93 51.88 Favored 'General case' 0 C--N 1.381 1.957 0 CA-C-O 123.331 1.539 . . . . 0.0 114.986 -162.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt -107.61 113.15 26.25 Favored 'General case' 0 C--N 1.384 2.087 0 N-CA-C 105.367 -2.086 . . . . 0.0 105.367 -178.22 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.44 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 1.2 t30 -115.86 128.95 56.2 Favored 'General case' 0 CA--C 1.586 2.364 0 C-N-CA 128.336 2.654 . . . . 0.0 105.552 -173.677 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -138.64 15.58 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.404 2.975 0 N-CA-C 116.832 2.16 . . . . 0.0 116.832 -151.601 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.55 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -120.21 -92.64 0.53 Allowed 'General case' 0 CA--C 1.581 2.142 0 C-N-CA 131.279 3.832 . . . . 0.0 105.523 -171.258 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.288 15.2 t 79.43 -90.62 0.02 OUTLIER 'General case' 0 C--N 1.387 2.235 0 C-N-CA 126.639 1.976 . . . . 0.0 108.795 174.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -172.32 -55.2 0.02 OUTLIER 'General case' 0 C--N 1.389 2.287 0 N-CA-C 105.843 -1.91 . . . . 0.0 105.843 -176.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -65.59 -7.65 16.02 Favored 'General case' 0 CA--C 1.579 2.074 0 C-N-CA 130.207 3.403 . . . . 0.0 113.209 175.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 t30 72.96 74.05 0.14 Allowed 'General case' 0 C--N 1.392 2.456 0 C-N-CA 127.285 2.234 . . . . 0.0 105.805 177.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 tp -157.35 160.31 2.2 Favored 'Isoleucine or valine' 0 C--N 1.395 2.574 0 C-N-CA 117.653 -1.619 . . . . 0.0 114.398 -169.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 93.2 mt -96.34 101.27 12.14 Favored 'Isoleucine or valine' 0 C--N 1.393 2.462 0 N-CA-C 104.746 -2.316 . . . . 0.0 104.746 174.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.45 116.54 10.49 Favored 'General case' 0 C--N 1.383 2.025 0 N-CA-C 102.076 -3.305 . . . . 0.0 102.076 -178.368 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.49 -170.9 3.72 Favored 'General case' 0 C--N 1.393 2.465 0 C-N-CA 118.193 -1.403 . . . . 0.0 114.733 -156.19 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -167.83 -162.94 20.85 Favored Glycine 0 C--N 1.394 3.765 0 C-N-CA 114.8 -3.571 . . . . 0.0 117.227 -173.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.3 p -110.29 126.12 53.86 Favored 'General case' 0 C--N 1.387 2.199 0 CA-C-O 123.017 1.389 . . . . 0.0 111.162 -177.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.19 -87.76 0.07 OUTLIER Glycine 0 C--N 1.392 3.692 0 N-CA-C 104.096 -3.602 . . . . 0.0 104.096 177.11 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.426 ' O ' ' SG ' ' A' ' 39' ' ' CYS 2.364 45.0 t 75.93 -50.62 0.62 Allowed 'General case' 0 C--N 1.388 2.271 0 C-N-CA 125.124 1.37 . . . . 0.0 111.96 176.713 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 . . . . . 0 CA--C 1.581 2.172 0 N-CA-C 105.472 -2.048 . . . . 0.0 105.472 -176.686 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.57 3.52 0 N-CA-C 115.347 0.899 . . . . 0.0 115.347 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -60.82 171.4 3.68 Favored 'Trans proline' 0 C--N 1.39 2.723 0 C-N-CA 124.986 3.791 . . . . 0.0 113.844 169.107 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -85.92 149.52 25.15 Favored 'General case' 0 C--N 1.387 2.223 0 C-N-CA 118.245 -1.382 . . . . 0.0 110.09 178.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.5 m -124.54 166.94 15.17 Favored 'General case' 0 C--N 1.39 2.358 0 N-CA-C 117.514 2.413 . . . . 0.0 117.514 -166.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -146.47 149.48 33.75 Favored 'General case' 0 C--N 1.381 1.956 0 CA-C-N 113.111 -1.859 . . . . 0.0 109.069 -178.086 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . 0.288 0.1 OUTLIER -127.5 32.98 4.92 Favored 'General case' 0 C--N 1.385 2.122 0 CA-C-O 122.202 1.001 . . . . 0.0 111.361 177.078 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.3 t -119.01 -177.73 3.4 Favored 'General case' 0 CA--C 1.577 2.008 0 C-N-CA 127.854 2.461 . . . . 0.0 110.028 176.216 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.554 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 45.1 t0 -83.59 114.13 21.31 Favored 'General case' 0 CA--C 1.586 2.356 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -175.539 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.554 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.271 3.9 mppt? 73.48 -63.61 0.43 Allowed 'General case' 0 C--N 1.402 2.884 0 C-N-CA 125.952 1.701 . . . . 0.0 111.881 178.773 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.294 67.8 m 75.84 53.64 0.06 Allowed 'General case' 0 C--N 1.376 1.736 0 C-N-CA 127.739 2.416 . . . . 0.0 109.079 -176.537 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 57.95 77.7 0.27 Allowed 'General case' 0 C--N 1.389 2.292 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 169.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.9 tp . . . . . 0 CA--C 1.583 2.217 0 N-CA-C 103.098 -2.927 . . . . 0.0 103.098 -175.083 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.501 ' HG2' HH11 ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.538 3.948 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.0 mt -144.38 134.52 20.11 Favored 'Isoleucine or valine' 0 C--N 1.387 2.223 0 CA-C-N 119.73 1.15 . . . . 0.0 110.023 -172.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 99.5 m -136.1 151.11 49.46 Favored 'General case' 0 CA--C 1.593 2.611 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 166.128 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -94.27 135.55 35.54 Favored 'General case' 0 C--N 1.398 2.692 0 C-N-CA 118.45 -1.3 . . . . 0.0 114.447 -161.04 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -126.81 5.35 6.65 Favored 'General case' 0 C--N 1.395 2.581 0 O-C-N 121.314 -0.866 . . . . 0.0 113.069 -171.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.107 0.4 OUTLIER -72.4 -33.62 67.3 Favored 'General case' 0 C--N 1.382 2.001 0 C-N-CA 124.231 1.012 . . . . 0.0 113.362 -165.113 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.5 mt -58.39 -170.69 0.01 OUTLIER 'General case' 0 C--N 1.385 2.129 0 C-N-CA 128.403 2.681 . . . . 0.0 116.174 -173.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.04 38.91 17.7 Favored Glycine 0 C--N 1.388 3.455 0 CA-C-O 117.556 -1.691 . . . . 0.0 112.544 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.4 m 94.17 -37.7 0.02 OUTLIER 'General case' 0 C--N 1.393 2.497 0 C-N-CA 129.844 3.257 . . . . 0.0 110.02 -178.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.432 ' NZ ' ' OD2' ' A' ' 30' ' ' ASP . 7.5 mptt -64.74 159.1 64.86 Favored Pre-proline 0 CA--C 1.587 2.368 0 C-N-CA 123.705 0.802 . . . . 0.0 110.149 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -74.91 158.99 42.21 Favored 'Trans proline' 0 C--N 1.4 3.253 0 N-CA-C 114.173 0.797 . . . . 0.0 114.173 -175.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.6 OUTLIER -53.95 138.98 70.35 Favored 'Trans proline' 0 C--N 1.396 3.044 0 C-N-CA 122.392 2.062 . . . . 0.0 115.097 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.263 0.1 OUTLIER 174.19 164.0 0.2 Allowed 'General case' 0 C--N 1.392 2.445 0 CA-C-O 122.913 1.34 . . . . 0.0 108.252 -179.137 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.2 p -136.34 154.66 50.78 Favored 'General case' 0 C--N 1.385 2.121 0 C-N-CA 119.279 -0.969 . . . . 0.0 113.173 -171.498 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -92.34 95.72 9.85 Favored 'General case' 0 C--N 1.384 2.099 0 N-CA-C 104.006 -2.59 . . . . 0.0 104.006 -178.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 93.5 m -89.86 106.14 18.27 Favored 'General case' 0 C--N 1.387 2.226 0 N-CA-C 103.593 -2.743 . . . . 0.0 103.593 -178.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -124.68 155.82 38.59 Favored 'General case' 0 C--N 1.385 2.142 0 CA-C-O 121.919 0.866 . . . . 0.0 112.992 -167.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -98.69 2.23 46.93 Favored 'General case' 0 C--N 1.383 2.03 0 CA-C-O 117.818 -1.087 . . . . 0.0 111.692 175.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -93.9 158.73 15.5 Favored 'General case' 0 C--N 1.394 2.523 0 CA-C-N 121.915 2.143 . . . . 0.0 113.171 -173.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.116 0.9 OUTLIER -46.01 -42.8 13.7 Favored 'General case' 0 C--N 1.387 2.218 0 C-N-CA 129.774 3.23 . . . . 0.0 115.246 -169.801 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.0 m -140.27 154.61 46.9 Favored 'General case' 0 C--N 1.384 2.095 0 CA-C-O 122.622 1.201 . . . . 0.0 112.934 -172.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.291 20.5 p -139.03 148.22 43.11 Favored 'General case' 0 C--N 1.387 2.207 0 CA-C-O 123.164 1.459 . . . . 0.0 112.191 174.433 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -118.68 166.94 12.14 Favored 'General case' 0 C--N 1.386 2.155 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 -163.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.419 ' NZ ' ' OXT' ' A' ' 59' ' ' LEU . 7.1 mmtt -120.6 113.86 20.87 Favored 'General case' 0 C--N 1.386 2.153 0 N-CA-C 106.115 -1.809 . . . . 0.0 106.115 -177.352 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.6 ' H ' ' HB3' ' A' ' 35' ' ' ARG . 8.1 t-20 -115.32 117.05 29.36 Favored 'General case' 0 CA--C 1.574 1.881 0 N-CA-C 102.473 -3.158 . . . . 0.0 102.473 -174.132 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -114.47 -21.06 5.61 Favored 'Isoleucine or valine' 0 C--N 1.394 2.506 0 N-CA-C 116.44 2.015 . . . . 0.0 116.44 -151.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.527 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -90.01 -106.39 0.09 Allowed 'General case' 0 CA--C 1.596 2.717 1 C-N-CA 135.963 5.705 . . . . 0.0 109.663 -178.321 . . . . . . . . 4 4 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.2 t 81.93 157.74 0.13 Allowed 'General case' 0 C--N 1.396 2.589 0 C-N-CA 126.725 2.01 . . . . 0.0 114.502 176.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -75.93 -47.3 25.75 Favored 'General case' 0 C--N 1.397 2.643 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 172.073 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.432 ' OD2' ' NZ ' ' A' ' 10' ' ' LYS . 23.6 p-10 -77.65 67.79 3.61 Favored 'General case' 0 C--N 1.388 2.261 0 N-CA-C 104.022 -2.584 . . . . 0.0 104.022 169.078 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -37.45 113.57 0.27 Allowed 'General case' 0 C--N 1.394 2.527 0 C-N-CA 129.014 2.926 . . . . 0.0 109.995 -167.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.5 tp 179.57 164.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.403 2.925 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -172.047 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 23.8 mt -90.53 99.45 9.59 Favored 'Isoleucine or valine' 0 C--N 1.397 2.648 0 N-CA-C 102.954 -2.98 . . . . 0.0 102.954 165.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.523 HH11 ' HG2' ' A' ' 34' ' ' ARG . 4.5 ttp85 -144.48 122.49 12.08 Favored 'General case' 0 C--N 1.382 2.014 0 N-CA-C 103.595 -2.743 . . . . 0.0 103.595 -176.543 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.6 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -158.8 -173.95 4.52 Favored 'General case' 0 C--N 1.389 2.288 0 C-N-CA 117.535 -1.666 . . . . 0.0 112.754 -156.323 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 175.33 -166.69 38.32 Favored Glycine 0 C--N 1.393 3.736 1 C-N-CA 112.214 -4.803 . . . . 0.0 120.576 -167.308 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.0 t -74.91 113.61 12.42 Favored 'General case' 0 C--N 1.386 2.153 0 CA-C-N 113.173 -1.514 . . . . 0.0 108.816 -176.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.63 -103.36 0.17 Allowed Glycine 0 C--N 1.396 3.881 0 N-CA-C 106.277 -2.729 . . . . 0.0 106.277 174.208 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.317 50.2 t 91.53 -45.27 0.02 OUTLIER 'General case' 0 C--N 1.384 2.089 0 CA-C-O 121.705 0.765 . . . . 0.0 112.079 175.12 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 . . . . . 0 C--N 1.385 2.132 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 -168.664 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.57 3.506 0 N-CA-C 112.221 -0.352 . . . . 0.0 112.221 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -62.21 171.84 4.79 Favored 'Trans proline' 0 C--N 1.392 2.83 0 C-N-CA 121.758 1.639 . . . . 0.0 111.52 166.388 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -96.59 163.04 13.19 Favored 'General case' 0 C--N 1.386 2.194 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.493 176.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.5 m -148.28 166.68 27.26 Favored 'General case' 0 C--N 1.398 2.698 0 N-CA-C 118.615 2.82 . . . . 0.0 118.615 -163.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.4 t -134.34 158.65 43.25 Favored 'General case' 0 C--N 1.385 2.147 0 CA-C-N 113.309 -1.768 . . . . 0.0 111.119 176.073 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -115.17 39.97 2.78 Favored 'General case' 0 C--N 1.384 2.103 0 CA-C-O 121.74 0.781 . . . . 0.0 110.228 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 38.5 m -154.55 171.12 19.95 Favored 'General case' 0 C--N 1.384 2.077 0 CA-C-O 122.151 0.976 . . . . 0.0 111.418 178.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -68.78 109.61 3.93 Favored 'General case' 0 CA--C 1.585 2.297 0 CA-C-O 123.063 1.411 . . . . 0.0 109.139 -173.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.269 0.0 OUTLIER 75.0 -73.33 0.1 Allowed 'General case' 0 C--N 1.395 2.555 0 C-N-CA 129.23 3.012 . . . . 0.0 109.821 -179.13 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 24.9 m 75.94 -49.49 0.6 Allowed 'General case' 0 C--N 1.384 2.104 0 C-N-CA 129.11 2.964 . . . . 0.0 110.97 -177.274 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -158.27 72.68 0.63 Allowed 'General case' 0 C--N 1.383 2.059 0 N-CA-C 104.324 -2.472 . . . . 0.0 104.324 -176.666 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.419 ' OXT' ' NZ ' ' A' ' 24' ' ' LYS . 47.5 mt . . . . . 0 CA--C 1.615 3.462 0 C-N-CA 125.95 1.7 . . . . 0.0 107.936 -175.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.526 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 1 N--CA 1.539 4.015 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 . . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.1 mp -102.17 122.89 54.99 Favored 'Isoleucine or valine' 0 C--N 1.393 2.469 0 CA-C-N 118.94 0.791 . . . . 0.0 109.415 -174.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.2 m -139.21 149.7 44.68 Favored 'General case' 0 C--N 1.391 2.376 0 CA-C-O 122.516 1.151 . . . . 0.0 108.279 169.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -93.31 168.28 11.18 Favored 'General case' 0 C--N 1.387 2.209 0 N-CA-C 115.154 1.539 . . . . 0.0 115.154 -162.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 43.1 p-10 -141.81 24.36 2.03 Favored 'General case' 0 C--N 1.387 2.226 0 C-N-CA 118.539 -1.264 . . . . 0.0 111.368 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.188 18.0 m170 -73.79 -150.88 0.03 OUTLIER 'General case' 0 CA--C 1.585 2.313 0 C-N-CA 125.083 1.353 . . . . 0.0 111.127 -177.25 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.455 ' H ' ' HA ' ' A' ' 11' ' ' PRO . 30.3 mt 62.3 -174.75 0.14 Allowed 'General case' 0 C--N 1.394 2.504 0 O-C-N 120.548 -1.345 . . . . 0.0 112.253 175.762 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.72 45.73 90.45 Favored Glycine 0 C--N 1.385 3.251 0 CA-C-O 117.924 -1.487 . . . . 0.0 110.702 179.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 92.4 m 112.53 -41.72 0.0 OUTLIER 'General case' 0 C--N 1.392 2.431 0 C-N-CA 129.932 3.293 . . . . 0.0 110.732 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -135.24 118.37 12.84 Favored Pre-proline 0 C--N 1.384 2.09 0 CA-C-O 118.06 -0.971 . . . . 0.0 110.633 -168.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.455 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 66.1 Cg_exo -87.77 -2.6 7.37 Favored 'Trans proline' 0 CA--C 1.598 3.685 0 N-CA-C 120.819 3.354 . . . . 0.0 120.819 175.245 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -67.66 -10.32 28.36 Favored 'Trans proline' 0 C--N 1.396 3.063 1 N-CA-C 125.846 5.287 . . . . 0.0 125.846 -174.459 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.7 p -126.58 158.06 37.22 Favored 'General case' 0 C--N 1.392 2.438 0 CA-C-N 125.51 3.777 . . . . 0.0 117.407 -176.34 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 57.8 p -139.51 157.93 45.0 Favored 'General case' 0 C--N 1.387 2.217 0 CA-C-N 112.414 -2.175 . . . . 0.0 111.578 -173.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -112.55 106.14 14.51 Favored 'General case' 0 C--N 1.39 2.345 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 -177.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.3 m -76.02 105.51 7.1 Favored 'General case' 0 C--N 1.395 2.568 0 N-CA-C 101.559 -3.497 . . . . 0.0 101.559 166.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.0 t -120.57 154.46 35.35 Favored 'General case' 0 C--N 1.393 2.467 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -165.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -110.11 3.38 20.18 Favored 'General case' 0 C--N 1.383 2.04 0 C-N-CA 125.649 1.579 . . . . 0.0 110.553 176.548 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -89.94 97.45 11.19 Favored 'General case' 0 C--N 1.395 2.555 0 N-CA-C 101.688 -3.449 . . . . 0.0 101.688 172.607 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.191 30.9 m-20 -42.64 -17.75 0.01 OUTLIER 'General case' 0 CA--C 1.582 2.196 1 C-N-CA 133.23 4.612 . . . . 0.0 118.369 -166.427 . . . . . . . . 4 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.1 t -129.94 142.2 50.68 Favored 'General case' 0 C--N 1.376 1.751 0 C-N-CA 125.607 1.563 . . . . 0.0 107.333 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -127.12 165.81 18.83 Favored 'General case' 0 C--N 1.383 2.057 0 CA-C-O 122.447 1.117 . . . . 0.0 112.178 177.582 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 48.7 p90 -138.55 158.69 43.78 Favored 'General case' 0 C--N 1.376 1.755 0 CA-C-N 113.586 -1.643 . . . . 0.0 114.086 -168.093 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.525 ' HZ3' ' C ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -111.35 119.85 40.24 Favored 'General case' 0 C--N 1.381 1.96 0 CA-C-N 111.58 -2.555 . . . . 0.0 105.598 177.851 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.45 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 4.9 t30 -120.02 119.66 34.04 Favored 'General case' 0 CA--C 1.584 2.25 0 N-CA-C 102.594 -3.113 . . . . 0.0 102.594 -178.089 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.68 35.97 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.397 2.652 0 N-CA-C 115.665 1.728 . . . . 0.0 115.665 -151.03 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.498 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -154.19 -95.29 0.04 OUTLIER 'General case' 0 CA--C 1.575 1.936 0 CA-C-N 113.04 -1.891 . . . . 0.0 106.222 -164.509 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.1 t 77.22 -11.42 1.2 Allowed 'General case' 0 C--N 1.391 2.376 0 CA-C-O 117.327 -1.321 . . . . 0.0 113.465 173.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . 0.312 74.6 t80 89.79 -45.85 0.02 OUTLIER 'General case' 0 C--N 1.392 2.43 0 CA-C-N 121.938 2.154 . . . . 0.0 109.697 -176.539 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -65.7 -9.85 31.4 Favored 'General case' 0 CA--C 1.584 2.268 0 CA-C-O 118.145 -0.931 . . . . 0.0 110.839 172.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.0 t30 76.17 69.92 0.07 Allowed 'General case' 0 C--N 1.396 2.621 0 C-N-CA 127.354 2.262 . . . . 0.0 107.153 172.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 tp -167.77 164.42 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.392 2.428 0 C-N-CA 117.452 -1.699 . . . . 0.0 113.522 -171.282 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.5 mt -92.79 102.92 14.12 Favored 'Isoleucine or valine' 0 C--N 1.383 2.027 0 N-CA-C 105.59 -2.004 . . . . 0.0 105.59 174.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.99 120.61 19.39 Favored 'General case' 0 C--N 1.387 2.237 0 N-CA-C 102.644 -3.095 . . . . 0.0 102.644 174.257 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.413 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -162.54 -161.02 0.69 Allowed 'General case' 0 C--N 1.384 2.104 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.809 -161.834 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 159.27 -155.95 27.05 Favored Glycine 0 C--N 1.388 3.461 0 C-N-CA 115.722 -3.132 . . . . 0.0 115.419 -177.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.1 p -96.09 123.99 39.92 Favored 'General case' 0 C--N 1.385 2.135 0 CA-C-O 123.338 1.542 . . . . 0.0 112.107 -175.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.43 -85.43 0.06 OUTLIER Glycine 0 C--N 1.393 3.71 0 N-CA-C 104.167 -3.573 . . . . 0.0 104.167 173.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.31 51.7 t 82.59 -42.49 0.12 Allowed 'General case' 0 C--N 1.391 2.38 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 171.437 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 . . . . . 0 C--N 1.386 2.185 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 -166.332 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 CA--C 1.586 4.488 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -73.25 173.07 14.33 Favored 'Trans proline' 0 C--N 1.388 2.615 0 C-N-CA 124.156 3.237 . . . . 0.0 110.894 175.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -96.35 141.05 30.14 Favored 'General case' 0 C--N 1.392 2.434 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 176.701 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.0 m -123.32 166.71 14.84 Favored 'General case' 0 C--N 1.392 2.444 0 N-CA-C 117.797 2.517 . . . . 0.0 117.797 -167.241 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.8 t -135.95 162.03 33.99 Favored 'General case' 0 C--N 1.379 1.886 0 CA-C-N 112.003 -2.362 . . . . 0.0 110.689 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . 0.254 0.2 OUTLIER -126.49 38.69 4.08 Favored 'General case' 0 C--N 1.381 1.967 0 CA-C-O 121.752 0.787 . . . . 0.0 109.978 176.092 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.431 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 9.0 t -134.45 173.55 11.51 Favored 'General case' 0 C--N 1.385 2.112 0 C-N-CA 125.106 1.362 . . . . 0.0 110.69 178.283 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.497 ' CG ' ' NZ ' ' A' ' 56' ' ' LYS . 40.1 t0 -73.72 120.24 19.05 Favored 'General case' 0 CA--C 1.582 2.177 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 -176.303 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.497 ' NZ ' ' CG ' ' A' ' 55' ' ' ASP 0.273 0.0 OUTLIER 71.68 -68.35 0.22 Allowed 'General case' 0 C--N 1.399 2.734 0 C-N-CA 127.25 2.22 . . . . 0.0 111.047 -179.953 . . . . . . . . 4 4 . 1 . 019 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.431 ' SG ' ' HB3' ' A' ' 54' ' ' SER . 13.8 m 60.94 60.05 1.93 Allowed 'General case' 0 C--N 1.38 1.899 0 C-N-CA 127.721 2.408 . . . . 0.0 104.905 -170.548 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 52.8 t30 65.95 88.29 0.11 Allowed 'General case' 0 C--N 1.391 2.386 0 C-N-CA 125.066 1.346 . . . . 0.0 107.437 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.525 ' C ' ' HZ3' ' A' ' 24' ' ' LYS . 20.8 mt . . . . . 0 CA--C 1.6 2.894 0 C-N-CA 128.018 2.527 . . . . 0.0 110.646 176.013 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.463 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 1 N--CA 1.54 4.029 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 . . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.0 mp -87.7 117.0 30.76 Favored 'Isoleucine or valine' 0 C--N 1.397 2.661 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 178.686 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -146.21 145.64 30.51 Favored 'General case' 0 C--N 1.389 2.311 0 N-CA-C 106.747 -1.575 . . . . 0.0 106.747 174.302 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -93.66 148.13 22.39 Favored 'General case' 0 C--N 1.398 2.676 0 C-N-CA 117.258 -1.777 . . . . 0.0 114.82 -158.174 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -118.24 37.83 3.89 Favored 'General case' 0 C--N 1.389 2.318 0 O-C-N 120.841 -1.162 . . . . 0.0 108.978 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.209 26.0 m170 -81.13 -154.85 0.11 Allowed 'General case' 0 C--N 1.385 2.135 0 C-N-CA 127.207 2.203 . . . . 0.0 113.412 -173.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.303 11.3 mt 59.09 -169.89 0.13 Allowed 'General case' 0 C--N 1.385 2.12 0 CA-C-O 122.183 0.992 . . . . 0.0 111.53 176.096 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.85 -58.35 3.66 Favored Glycine 0 C--N 1.383 3.14 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.545 -177.419 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.4 m -168.67 -41.09 0.02 OUTLIER 'General case' 0 C--N 1.383 2.03 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 -170.447 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -114.26 105.78 53.63 Favored Pre-proline 0 CA--C 1.586 2.354 0 N-CA-C 106.376 -1.713 . . . . 0.0 106.376 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_exo -79.79 -0.59 10.81 Favored 'Trans proline' 0 C--N 1.408 3.671 0 N-CA-C 121.718 3.699 . . . . 0.0 121.718 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -81.88 -23.37 4.69 Favored 'Trans proline' 0 C--N 1.4 3.265 1 N-CA-C 125.912 5.312 . . . . 0.0 125.912 -173.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.8 p -83.22 137.08 34.18 Favored 'General case' 0 C--N 1.398 2.682 0 CA-C-N 124.712 3.415 . . . . 0.0 113.475 -173.347 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 52.9 p -116.93 138.05 51.8 Favored 'General case' 0 C--N 1.375 1.681 0 CA-C-N 112.308 -2.224 . . . . 0.0 105.479 172.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -100.25 93.38 5.66 Favored 'General case' 0 C--N 1.383 2.049 0 N-CA-C 106.163 -1.791 . . . . 0.0 106.163 -171.164 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.7 t -61.87 127.51 31.77 Favored 'General case' 0 C--N 1.398 2.678 0 N-CA-C 103.501 -2.777 . . . . 0.0 103.501 162.1 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 1' ' ' ARG . 7.8 t -142.89 146.75 34.36 Favored 'General case' 0 C--N 1.382 2.015 0 CA-C-O 122.886 1.327 . . . . 0.0 110.151 -175.399 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -100.05 2.33 43.21 Favored 'General case' 0 CA--C 1.574 1.895 0 CA-C-N 113.657 -1.611 . . . . 0.0 110.268 -177.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -79.39 115.49 19.06 Favored 'General case' 0 C--N 1.394 2.532 0 N-CA-C 103.453 -2.795 . . . . 0.0 103.453 172.463 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.21 54.9 m-20 -60.76 1.79 0.13 Allowed 'General case' 0 C--N 1.392 2.452 0 C-N-CA 128.072 2.549 . . . . 0.0 117.276 -166.051 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 86.0 p -150.15 148.16 28.62 Favored 'General case' 0 C--N 1.382 1.996 0 CA-C-N 121.265 1.848 . . . . 0.0 108.035 174.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 p -139.37 155.07 47.9 Favored 'General case' 0 C--N 1.386 2.184 0 CA-C-O 123.476 1.608 . . . . 0.0 113.101 -175.172 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -134.93 147.78 49.88 Favored 'General case' 0 C--N 1.378 1.83 0 CA-C-N 113.434 -1.712 . . . . 0.0 113.33 -165.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.506 ' HZ3' ' C ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -104.02 126.98 51.55 Favored 'General case' 0 C--N 1.385 2.133 0 CA-C-O 123.707 1.718 . . . . 0.0 106.997 178.286 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.616 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 7.1 t30 -117.82 129.74 55.85 Favored 'General case' 0 CA--C 1.579 2.094 0 N-CA-C 104.443 -2.429 . . . . 0.0 104.443 -175.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.3 pp -137.96 14.38 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.403 2.903 0 N-CA-C 116.853 2.168 . . . . 0.0 116.853 -148.217 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.616 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -126.34 -104.89 0.34 Allowed 'General case' 0 CA--C 1.585 2.313 1 C-N-CA 132.729 4.412 . . . . 0.0 105.222 -168.898 . . . . . . . . 4 4 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.9 t 73.81 163.46 0.27 Allowed 'General case' 0 C--N 1.394 2.502 0 O-C-N 120.903 -1.123 . . . . 0.0 113.043 176.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -69.41 -46.38 66.96 Favored 'General case' 0 C--N 1.395 2.549 0 O-C-N 121.517 -0.74 . . . . 0.0 110.031 178.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -67.04 -5.0 11.26 Favored 'General case' 0 CA--C 1.578 2.053 0 C-N-CA 126.075 1.75 . . . . 0.0 112.161 176.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 65.52 74.85 0.37 Allowed 'General case' 0 C--N 1.398 2.703 0 CA-C-N 122.74 2.518 . . . . 0.0 106.643 174.401 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.1 tp -162.26 166.87 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.395 2.557 0 C-N-CA 118.524 -1.27 . . . . 0.0 114.313 -171.397 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -100.85 99.2 7.95 Favored 'Isoleucine or valine' 0 C--N 1.387 2.229 0 N-CA-C 104.973 -2.232 . . . . 0.0 104.973 176.588 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.47 136.79 16.65 Favored 'General case' 0 C--N 1.387 2.22 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 177.449 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.93 -171.73 0.67 Allowed 'General case' 0 C--N 1.4 2.784 0 C-N-CA 116.468 -2.093 . . . . 0.0 112.718 -148.169 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -172.66 -157.94 15.7 Favored Glycine 0 C--N 1.393 3.736 0 C-N-CA 113.908 -3.996 . . . . 0.0 117.978 -170.383 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.2 p -114.12 115.17 27.11 Favored 'General case' 0 C--N 1.387 2.202 0 CA-C-O 123.502 1.62 . . . . 0.0 110.225 -173.187 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.0 -81.11 0.05 OUTLIER Glycine 0 C--N 1.386 3.341 1 N-CA-C 101.056 -4.818 . . . . 0.0 101.056 177.377 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.419 ' SG ' ' N ' ' A' ' 40' ' ' PHE 2.362 42.7 t 73.14 -155.49 0.07 Allowed 'General case' 0 C--N 1.392 2.423 0 CA-C-O 123.721 1.724 . . . . 0.0 114.542 168.088 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.419 ' N ' ' SG ' ' A' ' 39' ' ' CYS 0.288 37.5 m-85 . . . . . 0 C--N 1.38 1.922 0 CA-C-N 112.35 -2.205 . . . . 0.0 109.605 179.343 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 2.243 0 CA-C-O 121.765 0.647 . . . . 0.0 112.184 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -65.16 169.43 12.18 Favored 'Trans proline' 0 C--N 1.386 2.521 0 CA-C-O 123.277 1.282 . . . . 0.0 109.451 167.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.12 109.62 16.59 Favored 'General case' 0 CA--C 1.58 2.099 0 N-CA-C 101.562 -3.495 . . . . 0.0 101.562 177.172 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 44.7 t -116.94 118.23 31.87 Favored 'General case' 0 C--N 1.395 2.545 0 CA-C-O 123.792 1.758 . . . . 0.0 110.489 -168.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 33.7 t -111.49 176.07 5.17 Favored 'General case' 0 C--N 1.383 2.023 0 C-N-CA 124.866 1.267 . . . . 0.0 113.296 179.095 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -149.8 63.49 0.99 Allowed 'General case' 0 C--N 1.386 2.187 0 CA-C-O 122.299 1.047 . . . . 0.0 108.998 -172.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.0 m -151.25 166.84 29.69 Favored 'General case' 0 C--N 1.382 2.0 0 C-N-CA 124.717 1.207 . . . . 0.0 109.0 176.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.509 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 25.3 t0 -64.14 120.14 11.52 Favored 'General case' 0 C--N 1.394 2.529 0 N-CA-C 106.458 -1.682 . . . . 0.0 106.458 -178.429 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.509 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.299 3.7 mptt 74.19 -65.84 0.33 Allowed 'General case' 0 C--N 1.399 2.739 0 C-N-CA 127.139 2.176 . . . . 0.0 109.331 -176.181 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 47.7 t 58.21 65.45 1.28 Allowed 'General case' 0 C--N 1.376 1.76 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -175.49 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 12.0 t30 63.66 81.16 0.21 Allowed 'General case' 0 C--N 1.387 2.2 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 173.355 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.506 ' C ' ' HZ3' ' A' ' 24' ' ' LYS . 82.5 mt . . . . . 0 CA--C 1.595 2.701 0 CA-C-O 116.216 -1.85 . . . . 0.0 108.356 176.848 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.485 HH21 ' CG ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 1 N--CA 1.542 4.142 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 . . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.6 mp -90.48 120.9 40.14 Favored 'Isoleucine or valine' 0 C--N 1.39 2.347 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 177.468 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 m -135.15 150.88 50.25 Favored 'General case' 0 C--N 1.388 2.248 0 N-CA-C 107.005 -1.479 . . . . 0.0 107.005 169.546 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -74.67 166.45 23.56 Favored 'General case' 0 C--N 1.384 2.1 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 -172.229 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -160.21 63.6 0.34 Allowed 'General case' 0 C--N 1.387 2.236 0 N-CA-C 103.212 -2.884 . . . . 0.0 103.212 170.693 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.223 17.9 m170 -110.68 -162.59 0.8 Allowed 'General case' 0 C--N 1.386 2.196 0 C-N-CA 127.054 2.142 . . . . 0.0 111.479 177.861 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.579 ' H ' ' HA ' ' A' ' 11' ' ' PRO . 24.8 mt 68.77 -174.21 0.19 Allowed 'General case' 0 C--N 1.38 1.902 0 C-N-CA 126.554 1.942 . . . . 0.0 114.598 175.668 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.76 -82.89 1.61 Allowed Glycine 0 C--N 1.383 3.194 0 N-CA-C 108.207 -1.957 . . . . 0.0 108.207 -179.283 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 85.3 m -117.73 -38.66 3.24 Favored 'General case' 0 C--N 1.378 1.817 0 C-N-CA 124.892 1.277 . . . . 0.0 110.438 -178.155 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -124.94 126.09 25.31 Favored Pre-proline 0 C--N 1.385 2.122 0 CA-C-O 118.034 -0.984 . . . . 0.0 108.908 -177.196 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.579 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 95.4 Cg_exo -87.64 -11.78 4.74 Favored 'Trans proline' 0 C--N 1.407 3.658 0 N-CA-C 121.476 3.606 . . . . 0.0 121.476 179.475 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -88.11 -19.17 2.09 Favored 'Trans proline' 0 C--N 1.4 3.261 1 N-CA-C 126.821 5.662 . . . . 0.0 126.821 -173.446 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 80.0 p -73.77 136.18 43.6 Favored 'General case' 0 C--N 1.395 2.558 0 CA-C-N 124.836 3.471 . . . . 0.0 112.278 -173.967 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 51.1 p -131.75 137.07 48.05 Favored 'General case' 0 C--N 1.376 1.757 0 CA-C-N 112.78 -2.009 . . . . 0.0 105.58 177.467 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -118.38 114.1 22.41 Favored 'General case' 0 C--N 1.384 2.081 0 CA-C-O 122.659 1.219 . . . . 0.0 110.705 -161.627 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.7 m -82.98 114.61 21.37 Favored 'General case' 0 C--N 1.387 2.236 0 N-CA-C 104.619 -2.363 . . . . 0.0 104.619 175.392 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 t -119.9 148.89 42.95 Favored 'General case' 0 C--N 1.39 2.331 0 O-C-N 120.962 -1.086 . . . . 0.0 112.245 -173.562 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.432 ' H ' ' CD ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -96.23 -14.78 22.44 Favored 'General case' 0 C--N 1.383 2.034 0 C-N-CA 125.707 1.603 . . . . 0.0 111.812 177.526 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -78.58 130.09 35.55 Favored 'General case' 0 C--N 1.394 2.521 0 N-CA-C 104.386 -2.45 . . . . 0.0 104.386 170.179 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.485 ' CG ' HH21 ' A' ' 1' ' ' ARG 2.11 31.6 m-20 -68.4 11.18 0.18 Allowed 'General case' 0 C--N 1.385 2.132 0 C-N-CA 127.734 2.414 . . . . 0.0 117.494 -169.095 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.1 m -153.81 152.07 30.27 Favored 'General case' 0 C--N 1.381 1.973 0 CA-C-N 121.487 1.948 . . . . 0.0 109.15 -177.334 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.0 p -140.62 160.51 39.86 Favored 'General case' 0 C--N 1.38 1.91 0 CA-C-N 114.059 -1.428 . . . . 0.0 112.085 -177.956 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -123.52 149.14 45.56 Favored 'General case' 0 C--N 1.376 1.733 0 CA-C-N 113.904 -1.498 . . . . 0.0 113.19 -166.747 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.532 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 0.7 OUTLIER -113.44 111.34 21.79 Favored 'General case' 0 C--N 1.386 2.194 0 N-CA-C 104.669 -2.345 . . . . 0.0 104.669 178.217 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.546 ' H ' ' HB3' ' A' ' 35' ' ' ARG . 1.1 t30 -116.46 118.19 32.0 Favored 'General case' 0 CA--C 1.585 2.312 0 N-CA-C 102.633 -3.099 . . . . 0.0 102.633 -177.494 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.71 -24.32 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.401 2.818 0 N-CA-C 117.687 2.477 . . . . 0.0 117.687 -152.858 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.597 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -61.54 -101.52 0.0 OUTLIER 'General case' 0 CA--C 1.587 2.391 0 C-N-CA 130.743 3.617 . . . . 0.0 107.474 166.307 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.7 t 73.78 153.99 0.15 Allowed 'General case' 0 C--N 1.394 2.531 0 CA-C-O 123.227 1.489 . . . . 0.0 109.765 -176.242 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -68.13 -32.54 72.89 Favored 'General case' 0 C--N 1.382 2.003 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.794 179.785 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 51.7 p30 -82.66 0.77 41.65 Favored 'General case' 0 CA--C 1.581 2.145 0 C-N-CA 126.343 1.857 . . . . 0.0 112.846 177.724 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 66.85 69.17 0.41 Allowed 'General case' 0 C--N 1.397 2.666 0 CA-C-N 122.164 2.256 . . . . 0.0 106.951 174.121 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 tp -162.39 162.68 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.395 2.561 0 C-N-CA 118.342 -1.343 . . . . 0.0 114.086 -172.415 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.3 mt -94.75 98.14 7.69 Favored 'Isoleucine or valine' 0 C--N 1.388 2.255 0 N-CA-C 105.807 -1.923 . . . . 0.0 105.807 176.898 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.401 HH11 ' HG2' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -141.15 115.03 9.09 Favored 'General case' 0 C--N 1.383 2.048 0 N-CA-C 103.347 -2.834 . . . . 0.0 103.347 -177.263 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.546 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -159.15 -167.42 2.07 Favored 'General case' 0 C--N 1.385 2.137 0 CA-C-N 113.275 -1.784 . . . . 0.0 111.905 -158.659 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 178.59 -164.14 32.46 Favored Glycine 0 C--N 1.39 3.533 1 C-N-CA 113.057 -4.402 . . . . 0.0 119.236 -172.132 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 40.0 t -86.75 112.32 21.57 Favored 'General case' 0 C--N 1.387 2.212 0 CA-C-N 114.118 -1.041 . . . . 0.0 109.029 -176.804 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.23 -82.04 0.05 OUTLIER Glycine 0 C--N 1.393 3.719 0 N-CA-C 105.352 -3.099 . . . . 0.0 105.352 173.322 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.374 17.6 t 64.37 -153.74 0.3 Allowed 'General case' 0 C--N 1.39 2.353 0 C-N-CA 119.115 -1.034 . . . . 0.0 111.061 -177.066 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 . . . . . 0 C--N 1.385 2.132 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 174.098 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 2.333 0 CA-C-O 121.682 0.601 . . . . 0.0 112.835 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -61.2 156.23 46.57 Favored 'Trans proline' 0 C--N 1.39 2.723 0 N-CA-C 107.903 -1.614 . . . . 0.0 107.903 169.732 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -74.39 147.66 41.92 Favored 'General case' 0 C--N 1.392 2.422 0 C-N-CA 117.418 -1.713 . . . . 0.0 110.076 -178.808 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.6 m -118.02 155.4 30.38 Favored 'General case' 0 C--N 1.389 2.286 0 CA-C-O 124.3 2.0 . . . . 0.0 115.258 -171.745 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 45.3 t -134.97 167.91 20.06 Favored 'General case' 0 C--N 1.375 1.7 0 CA-C-N 111.287 -2.688 . . . . 0.0 111.052 -178.202 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -146.99 46.37 1.17 Allowed 'General case' 0 C--N 1.379 1.858 0 CA-C-N 115.619 -0.718 . . . . 0.0 109.629 -179.191 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.5 p -137.3 174.11 10.95 Favored 'General case' 0 C--N 1.386 2.16 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 -175.608 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.481 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 26.2 t0 -73.82 129.37 37.77 Favored 'General case' 0 C--N 1.394 2.529 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 173.957 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.481 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 41.3 mmtm 73.4 -53.73 0.69 Allowed 'General case' 0 C--N 1.387 2.203 0 C-N-CA 128.09 2.556 . . . . 0.0 113.279 175.432 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 78.2 m 74.52 39.01 0.47 Allowed 'General case' 0 C--N 1.38 1.922 0 C-N-CA 125.826 1.65 . . . . 0.0 110.643 -177.508 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.298 0.2 OUTLIER 56.27 70.51 0.64 Allowed 'General case' 0 C--N 1.391 2.386 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 170.167 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.532 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 14.9 tp . . . . . 0 C--N 1.389 2.308 0 C-N-CA 126.766 2.026 . . . . 0.0 106.307 173.961 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.497 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.534 3.761 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 . . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.8 mp -96.26 130.22 45.23 Favored 'Isoleucine or valine' 0 C--N 1.391 2.389 0 CA-C-O 122.106 0.955 . . . . 0.0 110.742 -175.437 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.9 m -140.99 155.19 46.26 Favored 'General case' 0 C--N 1.389 2.316 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 166.889 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -95.21 152.34 18.45 Favored 'General case' 0 C--N 1.386 2.173 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -165.832 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.0 p-10 -136.8 32.26 2.72 Favored 'General case' 0 C--N 1.392 2.428 0 C-N-CA 118.987 -1.085 . . . . 0.0 111.777 -174.77 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.212 5.5 m170 -81.25 -145.27 0.05 Allowed 'General case' 0 C--N 1.383 2.042 0 CA-C-O 122.513 1.149 . . . . 0.0 111.24 -173.958 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.627 ' H ' ' HA ' ' A' ' 11' ' ' PRO . 92.2 mt 62.48 -179.2 0.14 Allowed 'General case' 0 C--N 1.384 2.077 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 172.629 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 46.24 61.3 4.12 Favored Glycine 0 C--N 1.39 3.549 0 CA-C-O 116.71 -2.161 . . . . 0.0 112.117 175.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.2 m 115.83 -41.16 0.01 OUTLIER 'General case' 0 C--N 1.394 2.518 0 C-N-CA 128.984 2.914 . . . . 0.0 110.51 175.739 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -140.57 110.22 6.79 Favored Pre-proline 0 CA--C 1.581 2.157 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -176.362 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.627 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 88.8 Cg_exo -79.52 -6.48 14.55 Favored 'Trans proline' 0 CA--C 1.593 3.454 1 N-CA-C 124.051 4.597 . . . . 0.0 124.051 -177.003 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -92.71 -23.07 0.35 Allowed 'Trans proline' 0 C--N 1.398 3.183 1 N-CA-C 125.353 5.097 . . . . 0.0 125.353 -171.944 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.2 p -84.56 161.61 20.13 Favored 'General case' 0 C--N 1.393 2.464 0 CA-C-N 123.409 2.822 . . . . 0.0 118.22 -170.374 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 35.3 p -139.41 154.62 47.84 Favored 'General case' 0 C--N 1.377 1.798 0 CA-C-N 110.444 -3.071 . . . . 0.0 109.954 -172.65 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -121.07 96.87 5.27 Favored 'General case' 0 C--N 1.383 2.05 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 -171.221 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.1 t -78.83 116.35 19.11 Favored 'General case' 0 C--N 1.393 2.476 0 N-CA-C 103.269 -2.863 . . . . 0.0 103.269 170.499 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.6 t -140.67 148.46 40.87 Favored 'General case' 0 C--N 1.394 2.506 0 CA-C-O 123.566 1.65 . . . . 0.0 113.365 -164.238 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -95.41 22.01 7.45 Favored 'General case' 0 C--N 1.381 1.948 0 CA-C-N 112.494 -2.139 . . . . 0.0 112.879 -176.57 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -104.02 121.78 43.88 Favored 'General case' 0 C--N 1.383 2.024 0 N-CA-C 102.518 -3.142 . . . . 0.0 102.518 170.471 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.497 ' OD2' ' N ' ' A' ' 1' ' ' ARG 2.17 58.5 m-20 -63.89 2.89 0.44 Allowed 'General case' 0 C--N 1.388 2.271 0 C-N-CA 126.404 1.882 . . . . 0.0 115.577 -172.98 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.2 p -152.55 159.0 43.31 Favored 'General case' 0 C--N 1.383 2.025 0 CA-C-N 120.317 1.417 . . . . 0.0 108.609 179.249 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.5 p -139.87 163.21 33.24 Favored 'General case' 0 C--N 1.376 1.722 0 CA-C-N 114.527 -1.215 . . . . 0.0 111.358 178.717 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -120.02 155.84 32.08 Favored 'General case' 0 C--N 1.374 1.654 0 CA-C-O 122.692 1.234 . . . . 0.0 113.555 -171.772 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.414 ' HZ3' ' C ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -108.25 112.62 25.2 Favored 'General case' 0 CA--C 1.581 2.165 0 N-CA-C 103.42 -2.808 . . . . 0.0 103.42 174.504 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.586 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 4.2 t30 -117.06 120.26 37.82 Favored 'General case' 0 CA--C 1.584 2.25 0 N-CA-C 103.027 -2.953 . . . . 0.0 103.027 179.358 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -132.91 -27.98 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.402 2.884 0 N-CA-C 118.506 2.78 . . . . 0.0 118.506 -153.847 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.586 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -66.1 -110.2 0.0 OUTLIER 'General case' 0 CA--C 1.585 2.292 1 C-N-CA 133.242 4.617 . . . . 0.0 108.229 176.321 . . . . . . . . 4 4 . 1 . 022 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 t 79.34 157.39 0.16 Allowed 'General case' 0 C--N 1.395 2.572 0 C-N-CA 124.755 1.222 . . . . 0.0 112.325 179.087 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -65.68 -52.97 47.32 Favored 'General case' 0 C--N 1.397 2.637 0 N-CA-C 106.616 -1.624 . . . . 0.0 106.616 172.699 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -78.42 87.07 4.44 Favored 'General case' 0 C--N 1.382 2.014 0 N-CA-C 103.664 -2.717 . . . . 0.0 103.664 173.754 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -52.28 112.6 0.83 Allowed 'General case' 0 C--N 1.397 2.638 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -168.578 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 tp -170.62 157.96 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.4 2.795 0 C-N-CA 118.536 -1.266 . . . . 0.0 112.874 -174.621 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.8 mp -98.95 99.89 9.44 Favored 'Isoleucine or valine' 0 C--N 1.388 2.274 0 N-CA-C 104.563 -2.384 . . . . 0.0 104.563 179.578 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.68 107.02 5.79 Favored 'General case' 0 C--N 1.38 1.915 0 N-CA-C 102.021 -3.326 . . . . 0.0 102.021 -174.894 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.474 ' HB3' ' H ' ' A' ' 25' ' ' ASN 0.254 0.0 OUTLIER -147.29 -165.17 2.18 Favored 'General case' 0 C--N 1.386 2.19 0 CA-C-N 113.977 -1.465 . . . . 0.0 113.476 -158.763 . . . . . . . . 4 4 . 1 . 022 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 174.29 -175.98 46.66 Favored Glycine 0 C--N 1.395 3.809 1 C-N-CA 113.078 -4.392 . . . . 0.0 119.859 -169.726 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.6 p -85.9 118.02 25.12 Favored 'General case' 0 C--N 1.393 2.458 0 CA-C-O 123.311 1.529 . . . . 0.0 109.727 -178.64 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.5 -94.61 0.1 OUTLIER Glycine 0 C--N 1.391 3.613 0 N-CA-C 104.081 -3.608 . . . . 0.0 104.081 175.448 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.345 51.1 t 71.52 -158.37 0.12 Allowed 'General case' 0 C--N 1.386 2.181 0 CA-C-O 122.007 0.908 . . . . 0.0 112.421 179.003 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 . . . . . 0 CA--C 1.58 2.13 0 CA-C-N 114.959 -1.018 . . . . 0.0 108.417 177.082 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.567 3.339 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -71.74 165.23 33.18 Favored 'Trans proline' 0 C--N 1.39 2.754 0 N-CA-C 108.273 -1.472 . . . . 0.0 108.273 168.782 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.402 ' CE2' ' HB3' ' A' ' 24' ' ' LYS . 6.5 p90 -96.39 145.1 25.93 Favored 'General case' 0 C--N 1.383 2.028 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.378 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.2 m -119.56 157.94 27.35 Favored 'General case' 0 C--N 1.391 2.405 0 N-CA-C 116.733 2.123 . . . . 0.0 116.733 -165.72 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.4 t -134.86 160.43 38.27 Favored 'General case' 0 C--N 1.382 1.99 0 CA-C-N 113.295 -1.775 . . . . 0.0 110.251 177.221 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -134.95 53.89 1.97 Allowed 'General case' 0 C--N 1.386 2.161 0 CA-C-O 122.512 1.148 . . . . 0.0 110.536 -172.761 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.0 t -151.32 169.92 20.78 Favored 'General case' 0 C--N 1.377 1.788 0 C-N-CA 126.618 1.967 . . . . 0.0 107.633 174.108 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.538 ' CG ' ' NZ ' ' A' ' 56' ' ' LYS . 35.3 p-10 -69.37 140.15 54.21 Favored 'General case' 0 C--N 1.388 2.25 0 C-N-CA 117.302 -1.759 . . . . 0.0 108.468 172.734 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.538 ' NZ ' ' CG ' ' A' ' 55' ' ' ASP . 1.0 OUTLIER 70.71 -80.35 0.04 OUTLIER 'General case' 0 C--N 1.391 2.372 0 C-N-CA 125.384 1.474 . . . . 0.0 111.173 177.244 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.26 56.9 m 68.03 70.88 0.32 Allowed 'General case' 0 C--N 1.384 2.071 0 N-CA-C 102.731 -3.063 . . . . 0.0 102.731 -165.62 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.25 29.3 t30 81.18 -62.76 0.19 Allowed 'General case' 0 C--N 1.39 2.342 0 C-N-CA 129.813 3.245 . . . . 0.0 108.797 -178.64 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.414 ' C ' ' HZ3' ' A' ' 24' ' ' LYS . 2.5 pt? . . . . . 0 CA--C 1.58 2.134 0 N-CA-C 103.888 -2.634 . . . . 0.0 103.888 175.91 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 1 N--CA 1.546 4.367 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 . . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.4 mp -93.14 124.26 45.51 Favored 'Isoleucine or valine' 0 C--N 1.395 2.561 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 178.064 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -142.38 178.96 7.23 Favored 'General case' 0 C--N 1.385 2.126 0 O-C-N 121.34 -0.85 . . . . 0.0 109.75 173.212 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -107.31 160.59 15.5 Favored 'General case' 0 C--N 1.382 1.985 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -172.547 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 45.0 p-10 -158.74 36.05 0.22 Allowed 'General case' 0 C--N 1.392 2.42 0 C-N-CA 118.966 -1.094 . . . . 0.0 109.797 -179.678 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.2 6.7 m170 -77.26 -159.62 0.14 Allowed 'General case' 0 C--N 1.384 2.097 0 C-N-CA 125.061 1.344 . . . . 0.0 112.848 -176.888 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.509 ' H ' ' HA ' ' A' ' 11' ' ' PRO 0.342 84.7 mt 69.04 -176.33 0.2 Allowed 'General case' 0 C--N 1.384 2.066 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 172.05 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.51 -97.36 1.82 Allowed Glycine 0 C--N 1.384 3.242 0 N-CA-C 106.382 -2.687 . . . . 0.0 106.382 -167.236 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.0 m -103.32 -43.0 5.56 Favored 'General case' 0 C--N 1.383 2.022 0 C-N-CA 124.412 1.085 . . . . 0.0 111.227 -178.121 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -117.33 121.18 32.54 Favored Pre-proline 0 C--N 1.385 2.139 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -174.78 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.509 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 91.1 Cg_exo -81.78 -19.86 6.99 Favored 'Trans proline' 0 CA--C 1.59 3.318 0 N-CA-C 119.377 2.799 . . . . 0.0 119.377 -179.868 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.6 OUTLIER -79.27 -15.34 12.77 Favored 'Trans proline' 0 C--N 1.4 3.246 1 N-CA-C 127.877 6.068 . . . . 0.0 127.877 -174.568 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.7 p -82.28 137.01 34.95 Favored 'General case' 0 C--N 1.397 2.644 1 CA-C-N 126.503 4.229 . . . . 0.0 114.707 -172.436 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 58.8 p -142.44 141.32 32.18 Favored 'General case' 0 C--N 1.376 1.757 0 C-N-CA 129.188 2.995 . . . . 0.0 105.357 178.649 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -168.55 153.41 6.21 Favored 'General case' 0 C--N 1.387 2.208 0 C-N-CA 115.021 -2.672 . . . . 0.0 114.21 -165.895 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.1 t -73.23 132.25 42.95 Favored 'General case' 0 C--N 1.386 2.164 0 CA-C-N 113.548 -1.66 . . . . 0.0 108.032 175.895 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.6 t -127.84 150.34 49.89 Favored 'General case' 0 C--N 1.381 1.936 0 CA-C-O 123.828 1.775 . . . . 0.0 110.41 179.761 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -90.36 -18.76 24.93 Favored 'General case' 0 C--N 1.376 1.757 0 CA-C-N 111.906 -2.406 . . . . 0.0 112.046 -174.105 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -76.01 124.59 27.63 Favored 'General case' 0 C--N 1.394 2.518 0 N-CA-C 105.323 -2.102 . . . . 0.0 105.323 172.805 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.109 37.2 m-20 -66.23 4.73 0.65 Allowed 'General case' 0 CA--C 1.581 2.166 0 C-N-CA 127.824 2.449 . . . . 0.0 116.443 -172.027 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.0 t -140.91 139.82 34.4 Favored 'General case' 0 C--N 1.382 1.984 0 CA-C-N 120.727 1.603 . . . . 0.0 107.705 -178.087 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.2 p -140.14 140.3 35.96 Favored 'General case' 0 C--N 1.388 2.272 0 CA-C-O 124.089 1.899 . . . . 0.0 110.585 179.683 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -127.51 155.2 44.12 Favored 'General case' 0 C--N 1.384 2.101 0 CA-C-N 113.313 -1.767 . . . . 0.0 115.449 -158.265 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -98.02 107.26 19.7 Favored 'General case' 0 C--N 1.389 2.313 0 N-CA-C 106.082 -1.821 . . . . 0.0 106.082 -179.132 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.514 ' H ' ' HB3' ' A' ' 35' ' ' ARG . 2.0 t30 -117.58 117.48 29.52 Favored 'General case' 0 CA--C 1.58 2.128 0 N-CA-C 104.924 -2.251 . . . . 0.0 104.924 -177.686 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.06 -22.15 2.41 Favored 'Isoleucine or valine' 0 C--N 1.393 2.49 0 N-CA-C 115.856 1.798 . . . . 0.0 115.856 -154.636 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.53 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -84.75 -99.25 0.06 Allowed 'General case' 0 CA--C 1.578 2.054 1 C-N-CA 134.206 5.002 . . . . 0.0 107.865 179.496 . . . . . . . . 4 4 . 1 . 023 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.2 t 72.92 157.4 0.19 Allowed 'General case' 0 C--N 1.393 2.464 0 C-N-CA 124.903 1.281 . . . . 0.0 108.882 -174.101 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -60.21 -54.37 46.65 Favored 'General case' 0 C--N 1.387 2.234 0 N-CA-C 107.694 -1.225 . . . . 0.0 107.694 177.245 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -65.54 105.48 1.21 Allowed 'General case' 0 C--N 1.381 1.974 0 N-CA-C 103.813 -2.662 . . . . 0.0 103.813 168.406 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -63.09 110.9 1.97 Allowed 'General case' 0 C--N 1.403 2.923 0 O-C-N 120.199 -1.563 . . . . 0.0 106.971 -172.385 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.6 tp -173.3 151.93 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.396 2.623 0 CA-C-O 122.732 1.253 . . . . 0.0 110.158 -168.957 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 24.1 mt -85.41 115.79 27.61 Favored 'Isoleucine or valine' 0 C--N 1.386 2.175 0 N-CA-C 104.484 -2.413 . . . . 0.0 104.484 172.109 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.442 HH11 ' HG2' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -155.77 85.85 1.05 Allowed 'General case' 0 C--N 1.386 2.174 0 N-CA-C 102.147 -3.279 . . . . 0.0 102.147 -179.157 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.514 ' HB3' ' H ' ' A' ' 25' ' ' ASN 0.255 0.0 OUTLIER -110.81 -170.85 1.71 Allowed 'General case' 0 C--N 1.374 1.633 0 CA-C-N 110.715 -2.948 . . . . 0.0 114.081 -168.39 . . . . . . . . 4 4 . 1 . 023 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -179.76 -173.23 44.63 Favored Glycine 0 C--N 1.398 3.975 1 C-N-CA 111.881 -4.961 . . . . 0.0 119.283 -169.026 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.8 p -104.89 106.37 16.83 Favored 'General case' 0 C--N 1.383 2.048 0 CA-C-O 122.931 1.348 . . . . 0.0 108.337 -179.386 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.78 -87.87 0.07 OUTLIER Glycine 0 C--N 1.389 3.508 0 N-CA-C 104.373 -3.491 . . . . 0.0 104.373 177.283 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.367 36.0 t 68.01 -144.74 0.12 Allowed 'General case' 0 C--N 1.389 2.31 0 CA-C-O 122.174 0.988 . . . . 0.0 110.366 177.603 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 . . . . . 0 C--N 1.385 2.142 0 C-N-CA 124.758 1.223 . . . . 0.0 110.508 177.756 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.568 3.352 0 N-CA-C 104.935 -3.266 . . . . 0.0 104.935 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -54.47 164.33 3.05 Favored 'Trans proline' 0 C--N 1.388 2.649 0 C-N-CA 121.485 1.457 . . . . 0.0 110.936 173.819 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -81.04 126.4 31.38 Favored 'General case' 0 C--N 1.386 2.178 0 N-CA-C 104.157 -2.534 . . . . 0.0 104.157 177.338 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.2 m -113.72 141.11 47.66 Favored 'General case' 0 C--N 1.393 2.482 0 CA-C-O 122.812 1.292 . . . . 0.0 112.355 -165.045 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 19.4 t -112.9 168.57 9.58 Favored 'General case' 0 C--N 1.383 2.055 0 C-N-CA 124.61 1.164 . . . . 0.0 111.175 178.184 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -133.68 44.55 2.76 Favored 'General case' 0 C--N 1.384 2.078 0 CA-C-O 121.26 0.552 . . . . 0.0 110.775 178.46 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.4 t -142.5 172.57 12.51 Favored 'General case' 0 C--N 1.384 2.094 0 CA-C-O 121.047 0.451 . . . . 0.0 110.681 177.574 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.535 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 26.2 t70 -68.16 103.1 1.47 Allowed 'General case' 0 CA--C 1.587 2.402 0 N-CA-C 105.001 -2.222 . . . . 0.0 105.001 -177.342 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.535 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.276 7.5 mptt 72.54 -63.99 0.41 Allowed 'General case' 0 C--N 1.397 2.652 0 C-N-CA 127.933 2.493 . . . . 0.0 111.99 -179.894 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 31.5 p 53.91 57.67 5.79 Favored 'General case' 0 C--N 1.383 2.062 0 C-N-CA 127.508 2.323 . . . . 0.0 105.658 -173.406 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.0 m120 66.42 91.69 0.08 Allowed 'General case' 0 C--N 1.394 2.52 0 C-N-CA 125.649 1.58 . . . . 0.0 107.01 178.256 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 24.1 tp . . . . . 0 C--N 1.39 2.326 0 CA-C-O 115.453 -2.213 . . . . 0.0 105.626 175.413 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.3 tpp85 . . . . . 1 N--CA 1.541 4.104 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.0 mp -91.04 118.41 36.24 Favored 'Isoleucine or valine' 0 C--N 1.394 2.511 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 -178.187 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -140.49 149.04 42.0 Favored 'General case' 0 C--N 1.389 2.287 0 CA-C-O 122.879 1.323 . . . . 0.0 109.354 174.277 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -68.42 157.79 35.06 Favored 'General case' 0 C--N 1.383 2.048 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -170.261 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -135.16 36.25 3.02 Favored 'General case' 0 C--N 1.39 2.35 0 C-N-CA 119.434 -0.906 . . . . 0.0 108.837 170.25 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.232 22.4 m170 -77.27 -174.15 3.13 Favored 'General case' 0 C--N 1.393 2.486 0 N-CA-C 117.519 2.414 . . . . 0.0 117.519 -163.689 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.8 mt 68.43 -170.34 0.18 Allowed 'General case' 0 C--N 1.387 2.203 0 N-CA-C 114.928 1.455 . . . . 0.0 114.928 172.785 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.74 -52.38 4.2 Favored Glycine 0 C--N 1.387 3.384 0 CA-C-N 114.856 -1.066 . . . . 0.0 111.374 -176.526 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.5 m -160.95 -38.05 0.05 OUTLIER 'General case' 0 C--N 1.377 1.775 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 -175.374 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -117.77 116.18 36.62 Favored Pre-proline 0 CA--C 1.585 2.296 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 -179.245 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_exo -86.23 -11.26 6.36 Favored 'Trans proline' 0 C--N 1.406 3.556 0 N-CA-C 120.645 3.286 . . . . 0.0 120.645 178.739 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -85.74 -16.21 4.62 Favored 'Trans proline' 0 C--N 1.399 3.189 1 N-CA-C 126.052 5.366 . . . . 0.0 126.052 -174.025 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.4 p -94.54 155.57 16.85 Favored 'General case' 0 C--N 1.394 2.504 0 CA-C-N 125.321 3.691 . . . . 0.0 116.455 -173.355 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 73.7 p -132.16 150.73 52.08 Favored 'General case' 0 C--N 1.378 1.818 0 CA-C-N 112.035 -2.348 . . . . 0.0 108.963 178.754 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -98.81 102.54 14.31 Favored 'General case' 0 C--N 1.376 1.741 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 -174.764 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.5 m -73.01 103.51 3.81 Favored 'General case' 0 C--N 1.395 2.581 0 N-CA-C 100.982 -3.71 . . . . 0.0 100.982 169.037 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.1 t -121.33 150.66 41.11 Favored 'General case' 0 C--N 1.388 2.278 0 CA-C-O 124.194 1.95 . . . . 0.0 113.096 -166.721 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -82.34 -17.71 44.72 Favored 'General case' 0 C--N 1.376 1.741 0 CA-C-N 111.893 -2.412 . . . . 0.0 111.291 -179.514 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -71.3 133.89 46.38 Favored 'General case' 0 C--N 1.395 2.574 0 CA-C-N 121.229 1.831 . . . . 0.0 107.429 175.481 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.122 93.8 m-20 -56.14 -35.0 66.63 Favored 'General case' 0 C--N 1.383 2.031 0 C-N-CA 130.946 3.698 . . . . 0.0 114.644 -175.166 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.3 t -131.54 163.99 26.8 Favored 'General case' 0 C--N 1.379 1.863 0 C-N-CA 125.932 1.693 . . . . 0.0 110.509 -174.57 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.6 p -147.81 150.44 34.2 Favored 'General case' 0 C--N 1.395 2.58 0 CA-C-O 123.824 1.773 . . . . 0.0 115.687 -178.594 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -112.29 157.18 21.26 Favored 'General case' 0 C--N 1.388 2.279 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 -164.922 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.578 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 59.7 mmtt -105.66 112.93 26.2 Favored 'General case' 0 C--N 1.384 2.098 0 C-N-CA 126.639 1.976 . . . . 0.0 107.569 178.692 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.554 ' H ' ' HB3' ' A' ' 35' ' ' ARG . 14.0 t-20 -115.81 118.81 34.06 Favored 'General case' 0 CA--C 1.583 2.244 0 N-CA-C 102.733 -3.062 . . . . 0.0 102.733 176.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.23 1.28 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.398 2.694 0 N-CA-C 117.179 2.289 . . . . 0.0 117.179 -156.131 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.506 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -104.69 -99.47 0.32 Allowed 'General case' 0 CA--C 1.58 2.12 1 C-N-CA 133.766 4.827 . . . . 0.0 106.62 -175.428 . . . . . . . . 4 4 . 1 . 024 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.283 1.1 t 70.61 -179.48 0.23 Allowed 'General case' 0 C--N 1.39 2.335 0 C-N-CA 125.583 1.553 . . . . 0.0 112.116 -179.453 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -72.1 -62.76 1.31 Allowed 'General case' 0 C--N 1.388 2.273 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 174.479 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -64.7 110.69 2.46 Favored 'General case' 0 C--N 1.38 1.925 0 N-CA-C 102.728 -3.064 . . . . 0.0 102.728 170.649 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -68.74 102.47 1.53 Allowed 'General case' 0 C--N 1.396 2.628 0 N-CA-C 105.773 -1.936 . . . . 0.0 105.773 -168.949 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 tp -171.87 159.87 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.4 2.794 0 C-N-CA 116.078 -2.249 . . . . 0.0 112.95 -162.618 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.1 mt -97.67 118.33 43.97 Favored 'Isoleucine or valine' 0 C--N 1.39 2.339 0 N-CA-C 106.303 -1.739 . . . . 0.0 106.303 176.115 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.626 HH11 ' HG2' ' A' ' 34' ' ' ARG . 0.6 OUTLIER -159.64 84.94 0.76 Allowed 'General case' 0 C--N 1.384 2.08 0 N-CA-C 103.068 -2.938 . . . . 0.0 103.068 -172.971 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.554 ' HB3' ' H ' ' A' ' 25' ' ' ASN 0.25 0.0 OUTLIER -114.09 -165.71 1.03 Allowed 'General case' 0 C--N 1.374 1.642 0 CA-C-N 111.521 -2.581 . . . . 0.0 113.528 -166.406 . . . . . . . . 4 4 . 1 . 024 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -179.52 -177.36 47.76 Favored Glycine 0 C--N 1.39 3.576 0 C-N-CA 114.255 -3.831 . . . . 0.0 117.875 -178.94 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.1 p -73.16 126.51 30.21 Favored 'General case' 0 C--N 1.388 2.244 0 CA-C-O 122.874 1.321 . . . . 0.0 110.04 178.602 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.82 -82.2 0.05 OUTLIER Glycine 0 C--N 1.393 3.714 0 N-CA-C 105.867 -2.893 . . . . 0.0 105.867 173.982 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.286 53.9 t 89.08 -81.41 0.01 OUTLIER 'General case' 0 C--N 1.391 2.382 0 CA-C-O 123.408 1.575 . . . . 0.0 109.119 179.82 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.571 1.759 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 -172.313 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.563 3.074 0 CA-C-O 121.597 0.554 . . . . 0.0 112.899 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -82.07 171.2 13.02 Favored 'Trans proline' 0 C--N 1.384 2.425 0 C-N-CA 123.87 3.046 . . . . 0.0 110.941 176.211 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -101.41 155.81 17.83 Favored 'General case' 0 C--N 1.386 2.17 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.19 179.454 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 43.4 t -115.88 149.7 38.24 Favored 'General case' 0 C--N 1.394 2.518 0 N-CA-C 118.029 2.603 . . . . 0.0 118.029 -161.781 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.1 t -128.32 152.4 48.19 Favored 'General case' 0 C--N 1.384 2.088 0 C-N-CA 127.806 2.443 . . . . 0.0 107.7 168.613 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.6 68.31 1.24 Allowed 'General case' 0 C--N 1.376 1.736 0 N-CA-C 104.617 -2.364 . . . . 0.0 104.617 176.354 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.3 t -162.17 162.99 28.64 Favored 'General case' 0 C--N 1.38 1.907 0 C-N-CA 117.283 -1.767 . . . . 0.0 110.641 -176.486 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.51 ' OD1' ' NZ ' ' A' ' 56' ' ' LYS . 24.6 t0 -64.0 127.15 30.16 Favored 'General case' 0 CA--C 1.582 2.199 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 175.284 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.51 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 39.2 mmtm 78.71 -89.19 0.02 OUTLIER 'General case' 0 C--N 1.394 2.524 0 C-N-CA 125.211 1.404 . . . . 0.0 112.363 172.038 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.29 21.4 m 84.14 33.78 0.05 OUTLIER 'General case' 0 CA--C 1.597 2.757 0 C-N-CA 126.956 2.102 . . . . 0.0 112.34 -177.552 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.407 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 60.8 m-20 65.45 70.69 0.45 Allowed 'General case' 0 C--N 1.393 2.499 0 C-N-CA 125.71 1.604 . . . . 0.0 109.805 172.619 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.578 ' C ' ' NZ ' ' A' ' 24' ' ' LYS 0.256 0.9 OUTLIER . . . . . 0 CA--C 1.589 2.446 0 C-N-CA 126.844 2.057 . . . . 0.0 106.133 -179.244 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.458 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.534 3.759 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 . . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 69.2 mt -93.23 118.17 38.36 Favored 'Isoleucine or valine' 0 C--N 1.389 2.326 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 177.343 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.6 m -136.06 160.13 39.59 Favored 'General case' 0 C--N 1.381 1.959 0 CA-C-N 115.118 -0.947 . . . . 0.0 108.692 174.07 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -98.05 136.65 37.99 Favored 'General case' 0 C--N 1.389 2.3 0 C-N-CA 118.342 -1.343 . . . . 0.0 110.738 -169.499 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -123.3 51.92 1.43 Allowed 'General case' 0 C--N 1.391 2.377 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 173.756 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.145 3.6 m170 -86.69 -166.56 1.6 Allowed 'General case' 0 C--N 1.381 1.958 0 C-N-CA 126.968 2.107 . . . . 0.0 110.588 173.85 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.479 ' H ' ' HA ' ' A' ' 11' ' ' PRO 0.349 5.1 mp 75.43 -175.69 0.13 Allowed 'General case' 0 C--N 1.381 1.94 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 169.835 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.93 -41.65 2.5 Favored Glycine 0 C--N 1.387 3.401 0 N-CA-C 108.869 -1.692 . . . . 0.0 108.869 -162.946 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.2 m -175.98 -41.85 0.01 OUTLIER 'General case' 0 C--N 1.386 2.16 0 C-N-CA 125.844 1.658 . . . . 0.0 106.88 -175.858 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -111.36 109.75 56.21 Favored Pre-proline 0 CA--C 1.593 2.611 0 CA-C-O 117.632 -1.175 . . . . 0.0 109.609 -174.186 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.479 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 18.3 Cg_endo -83.71 7.23 5.32 Favored 'Trans proline' 0 CA--C 1.604 3.981 0 N-CA-C 121.937 3.783 . . . . 0.0 121.937 179.388 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -85.85 -24.5 1.77 Allowed 'Trans proline' 0 C--N 1.404 3.454 1 N-CA-C 125.627 5.203 . . . . 0.0 125.627 -175.36 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.9 p -78.58 141.99 37.66 Favored 'General case' 0 C--N 1.397 2.648 0 CA-C-N 125.001 3.546 . . . . 0.0 113.186 -175.573 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 73.0 p -124.76 147.34 48.72 Favored 'General case' 0 C--N 1.378 1.814 0 CA-C-N 112.237 -2.256 . . . . 0.0 109.172 -177.229 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -118.76 99.61 6.88 Favored 'General case' 0 C--N 1.379 1.869 0 CA-C-N 113.74 -1.573 . . . . 0.0 107.653 -163.13 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 96.8 m -87.56 94.45 9.72 Favored 'General case' 0 C--N 1.387 2.239 0 N-CA-C 103.084 -2.932 . . . . 0.0 103.084 179.199 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.5 t -118.13 152.25 35.99 Favored 'General case' 0 C--N 1.39 2.362 0 CA-C-O 123.332 1.539 . . . . 0.0 113.429 -167.841 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -87.32 -20.57 26.6 Favored 'General case' 0 C--N 1.381 1.938 0 CA-C-N 112.259 -2.246 . . . . 0.0 112.819 -176.112 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -65.12 135.8 55.94 Favored 'General case' 0 C--N 1.397 2.652 0 N-CA-C 105.315 -2.105 . . . . 0.0 105.315 167.841 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.117 39.1 m-20 -80.01 5.2 14.7 Favored 'General case' 0 C--N 1.386 2.164 0 C-N-CA 127.043 2.137 . . . . 0.0 115.64 -173.452 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.0 t -143.76 130.42 20.2 Favored 'General case' 0 C--N 1.378 1.842 0 N-CA-C 104.244 -2.502 . . . . 0.0 104.244 -177.438 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -125.99 144.02 50.87 Favored 'General case' 0 C--N 1.378 1.806 0 CA-C-O 123.999 1.857 . . . . 0.0 108.317 174.219 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -116.58 165.96 12.65 Favored 'General case' 0 C--N 1.369 1.448 0 CA-C-N 113.298 -1.774 . . . . 0.0 113.145 -168.085 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.413 ' NZ ' ' O ' ' A' ' 58' ' ' ASN . 2.1 tppt? -100.79 115.43 30.3 Favored 'General case' 0 CA--C 1.581 2.157 0 N-CA-C 103.719 -2.697 . . . . 0.0 103.719 178.149 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.489 ' ND2' ' HE1' ' A' ' 27' ' ' TRP . 8.8 t-20 -115.9 119.35 35.68 Favored 'General case' 0 C--N 1.382 1.996 0 N-CA-C 101.805 -3.406 . . . . 0.0 101.805 179.609 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.58 -24.3 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.396 2.617 0 N-CA-C 115.938 1.829 . . . . 0.0 115.938 -151.544 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.553 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -73.14 -110.78 0.01 OUTLIER 'General case' 0 CA--C 1.592 2.587 1 C-N-CA 133.027 4.531 . . . . 0.0 106.818 172.505 . . . . . . . . 4 4 . 1 . 025 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.5 t 75.19 151.59 0.12 Allowed 'General case' 0 C--N 1.397 2.635 0 C-N-CA 125.138 1.375 . . . . 0.0 109.541 -175.891 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -62.19 -54.72 36.95 Favored 'General case' 0 C--N 1.392 2.448 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 178.733 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -67.37 100.73 0.86 Allowed 'General case' 0 C--N 1.382 1.994 0 N-CA-C 102.648 -3.093 . . . . 0.0 102.648 168.381 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -63.15 115.86 4.87 Favored 'General case' 0 C--N 1.402 2.857 0 N-CA-C 106.055 -1.831 . . . . 0.0 106.055 -171.283 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 tp -168.2 155.93 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.394 2.51 0 CA-C-O 121.921 0.867 . . . . 0.0 110.086 -169.217 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 55.8 mt -95.67 111.92 26.99 Favored 'Isoleucine or valine' 0 C--N 1.388 2.265 0 N-CA-C 104.02 -2.585 . . . . 0.0 104.02 170.544 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.42 HH11 ' HG2' ' A' ' 34' ' ' ARG . 12.3 ttp85 -148.12 104.92 3.59 Favored 'General case' 0 C--N 1.381 1.95 0 N-CA-C 100.668 -3.827 . . . . 0.0 100.668 -177.824 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.35 -178.79 5.91 Favored 'General case' 0 C--N 1.387 2.216 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -157.949 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 174.21 -172.78 45.62 Favored Glycine 0 C--N 1.396 3.913 1 C-N-CA 112.462 -4.685 . . . . 0.0 119.177 -171.842 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.5 p -75.75 113.73 13.55 Favored 'General case' 0 C--N 1.385 2.118 0 CA-C-O 123.791 1.758 . . . . 0.0 109.648 -176.855 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.13 -113.53 0.28 Allowed Glycine 0 C--N 1.389 3.527 0 N-CA-C 104.358 -3.497 . . . . 0.0 104.358 172.205 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.45 3.2 p 66.43 -154.2 0.24 Allowed 'General case' 0 C--N 1.39 2.354 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 173.507 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 . . . . . 0 C--N 1.388 2.247 0 CA-C-N 113.544 -1.662 . . . . 0.0 106.841 -175.952 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.554 2.504 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_exo -54.93 167.46 1.59 Allowed 'Trans proline' 0 C--N 1.382 2.337 0 C-N-CA 122.371 2.047 . . . . 0.0 113.335 169.669 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -83.91 121.14 26.95 Favored 'General case' 0 CA--C 1.578 2.021 0 N-CA-C 102.638 -3.097 . . . . 0.0 102.638 177.125 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.6 m -109.57 134.61 51.72 Favored 'General case' 0 C--N 1.397 2.67 0 O-C-N 120.446 -1.409 . . . . 0.0 110.899 -166.276 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.9 t -126.06 158.57 35.08 Favored 'General case' 0 C--N 1.39 2.362 0 C-N-CA 123.814 0.846 . . . . 0.0 112.88 -172.92 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.18 40.5 3.66 Favored 'General case' 0 C--N 1.38 1.919 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -175.381 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 64.9 m -132.42 160.54 36.08 Favored 'General case' 0 C--N 1.383 2.031 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -173.506 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.501 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 19.8 t0 -70.18 132.66 46.12 Favored 'General case' 0 C--N 1.398 2.699 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 174.506 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.501 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.263 36.6 mmtm 73.91 -67.65 0.25 Allowed 'General case' 0 C--N 1.391 2.372 0 C-N-CA 126.432 1.893 . . . . 0.0 106.853 -177.563 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.284 48.6 t 79.61 58.36 0.02 OUTLIER 'General case' 0 C--N 1.376 1.738 0 C-N-CA 126.874 2.07 . . . . 0.0 107.392 178.943 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.413 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 7.1 m120 65.65 66.25 0.52 Allowed 'General case' 0 C--N 1.392 2.431 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 162.649 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER . . . . . 0 CA--C 1.588 2.416 0 N-CA-C 103.717 -2.697 . . . . 0.0 103.717 -175.485 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.465 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 40.0 mtt85 . . . . . 0 N--CA 1.536 3.846 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -94.78 120.9 44.85 Favored 'Isoleucine or valine' 0 C--N 1.39 2.349 0 CA-C-O 122.451 1.12 . . . . 0.0 109.155 -172.396 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.7 m -141.31 143.36 34.01 Favored 'General case' 0 CA--C 1.595 2.702 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 176.156 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -93.12 150.22 20.67 Favored 'General case' 0 C--N 1.404 2.954 0 N-CA-C 116.351 1.982 . . . . 0.0 116.351 -160.331 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -118.55 20.87 12.84 Favored 'General case' 0 C--N 1.392 2.434 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 177.071 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.151 7.5 m170 -77.4 -153.83 0.06 Allowed 'General case' 0 C--N 1.382 1.995 0 C-N-CA 126.377 1.871 . . . . 0.0 110.721 -178.25 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.512 ' H ' ' HA ' ' A' ' 11' ' ' PRO 0.328 2.7 mp 67.81 -166.15 0.2 Allowed 'General case' 0 C--N 1.379 1.887 0 CA-C-O 122.091 0.948 . . . . 0.0 111.122 172.809 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.575 ' H ' HG12 ' A' ' 32' ' ' ILE . . . 89.37 -59.81 3.74 Favored Glycine 0 C--N 1.381 3.047 0 N-CA-C 105.549 -3.021 . . . . 0.0 105.549 -166.096 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 92.4 m -155.02 -38.03 0.09 Allowed 'General case' 0 C--N 1.381 1.965 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 170.652 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -100.68 110.19 59.82 Favored Pre-proline 0 CA--C 1.588 2.405 0 C-N-CA 124.425 1.09 . . . . 0.0 109.367 -172.626 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.512 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 61.2 Cg_endo -84.83 7.74 5.01 Favored 'Trans proline' 0 CA--C 1.595 3.552 0 N-CA-C 118.785 2.571 . . . . 0.0 118.785 179.726 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -78.74 -25.1 6.69 Favored 'Trans proline' 0 C--N 1.403 3.433 1 N-CA-C 124.681 4.839 . . . . 0.0 124.681 -175.409 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.7 p -97.0 139.03 33.63 Favored 'General case' 0 C--N 1.394 2.514 0 CA-C-N 124.893 3.497 . . . . 0.0 113.032 -175.424 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 72.4 p -125.33 146.33 49.62 Favored 'General case' 0 C--N 1.38 1.912 0 CA-C-N 113.612 -1.631 . . . . 0.0 109.837 -179.051 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -87.91 98.89 11.74 Favored 'General case' 0 C--N 1.386 2.177 0 N-CA-C 105.449 -2.056 . . . . 0.0 105.449 -176.689 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.6 m -78.6 101.95 7.7 Favored 'General case' 0 C--N 1.392 2.425 0 N-CA-C 101.657 -3.46 . . . . 0.0 101.657 172.739 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 12.2 t -127.02 150.02 49.63 Favored 'General case' 0 C--N 1.392 2.421 0 CA-C-O 123.887 1.803 . . . . 0.0 114.505 -166.056 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -89.34 -15.12 34.13 Favored 'General case' 0 C--N 1.38 1.928 0 CA-C-N 111.898 -2.41 . . . . 0.0 111.99 -179.547 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -70.31 114.78 8.78 Favored 'General case' 0 C--N 1.393 2.457 0 N-CA-C 103.757 -2.682 . . . . 0.0 103.757 175.034 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.465 ' OD2' ' N ' ' A' ' 1' ' ' ARG 2.188 50.0 m-20 -58.83 -6.37 0.76 Allowed 'General case' 0 C--N 1.386 2.176 0 C-N-CA 129.366 3.066 . . . . 0.0 116.251 -174.26 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.6 t -135.37 145.25 47.17 Favored 'General case' 0 C--N 1.378 1.807 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 176.295 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.5 p -132.04 160.03 37.09 Favored 'General case' 0 C--N 1.382 2.018 0 CA-C-O 122.282 1.039 . . . . 0.0 111.755 176.633 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.435 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 25.4 p90 -124.89 140.4 52.96 Favored 'General case' 0 C--N 1.376 1.736 0 CA-C-N 114.183 -1.371 . . . . 0.0 112.01 -167.694 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.515 ' NZ ' ' O ' ' A' ' 58' ' ' ASN . 8.1 mtmt -103.13 112.63 25.58 Favored 'General case' 0 C--N 1.388 2.246 0 N-CA-C 104.6 -2.37 . . . . 0.0 104.6 -177.639 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.447 ' H ' ' HB3' ' A' ' 35' ' ' ARG . 7.0 t30 -114.31 114.69 26.27 Favored 'General case' 0 CA--C 1.576 1.96 0 N-CA-C 102.899 -3.0 . . . . 0.0 102.899 -175.881 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -122.32 -2.84 7.67 Favored 'Isoleucine or valine' 0 C--N 1.393 2.463 0 N-CA-C 116.01 1.856 . . . . 0.0 116.01 -154.685 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.509 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -100.88 -94.59 0.28 Allowed 'General case' 0 CA--C 1.578 2.033 1 C-N-CA 133.812 4.845 . . . . 0.0 104.13 -176.461 . . . . . . . . 4 4 . 1 . 026 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.255 14.5 t 74.72 -17.61 0.47 Allowed 'General case' 0 C--N 1.39 2.337 0 C-N-CA 125.818 1.647 . . . . 0.0 112.127 178.006 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . 0.318 97.6 m-85 88.88 -37.32 0.02 OUTLIER 'General case' 0 C--N 1.39 2.345 0 C-N-CA 127.941 2.496 . . . . 0.0 110.846 -178.234 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -73.47 -7.1 50.35 Favored 'General case' 0 CA--C 1.58 2.13 0 CA-C-N 119.491 1.041 . . . . 0.0 110.993 172.443 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.8 t30 75.13 78.32 0.11 Allowed 'General case' 0 C--N 1.394 2.537 0 C-N-CA 127.747 2.419 . . . . 0.0 106.32 177.791 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.575 HG12 ' H ' ' A' ' 8' ' ' GLY . 6.8 tp -164.49 159.35 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.395 2.551 0 C-N-CA 117.658 -1.617 . . . . 0.0 114.037 -177.257 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 83.6 mt -94.13 90.63 2.87 Favored 'Isoleucine or valine' 0 C--N 1.387 2.206 0 N-CA-C 103.802 -2.666 . . . . 0.0 103.802 170.416 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.1 103.14 6.11 Favored 'General case' 0 C--N 1.387 2.219 0 N-CA-C 101.423 -3.547 . . . . 0.0 101.423 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.447 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -141.61 -167.34 2.4 Favored 'General case' 0 C--N 1.387 2.204 0 CA-C-N 114.225 -1.352 . . . . 0.0 114.483 -160.353 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -175.32 -167.13 34.03 Favored Glycine 0 C--N 1.389 3.494 0 C-N-CA 114.64 -3.648 . . . . 0.0 116.261 -174.466 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.5 p -102.07 127.92 48.76 Favored 'General case' 0 C--N 1.382 2.011 0 CA-C-O 122.795 1.283 . . . . 0.0 112.736 -175.054 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.05 -89.51 0.07 OUTLIER Glycine 0 C--N 1.394 3.796 0 N-CA-C 106.102 -2.799 . . . . 0.0 106.102 174.009 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.33 42.0 t 80.28 -44.61 0.26 Allowed 'General case' 0 C--N 1.388 2.254 0 C-N-CA 124.033 0.933 . . . . 0.0 111.402 179.877 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--N 1.385 2.125 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -167.874 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 2.089 0 N-CA-C 103.761 -3.735 . . . . 0.0 103.761 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.435 ' HB2' ' HB2' ' A' ' 23' ' ' TYR 0.33 2.6 Cg_exo 43.75 -159.27 0.0 OUTLIER 'Trans proline' 1 C--N 1.443 5.524 0 O-C-N 123.973 1.512 . . . . 0.0 110.825 -165.93 . . . . . . . . 4 3 . 1 . 026 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -125.25 140.09 53.15 Favored 'General case' 0 CA--C 1.569 1.692 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 175.481 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.2 m -118.78 159.53 23.53 Favored 'General case' 0 C--N 1.395 2.555 0 N-CA-C 117.988 2.588 . . . . 0.0 117.988 -159.356 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.7 t -136.71 159.24 42.42 Favored 'General case' 0 C--N 1.38 1.912 0 CA-C-N 112.491 -2.141 . . . . 0.0 111.042 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -122.88 59.86 1.05 Allowed 'General case' 0 C--N 1.382 2.017 0 N-CA-C 105.704 -1.961 . . . . 0.0 105.704 171.813 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.6 m -162.11 170.08 19.78 Favored 'General case' 0 C--N 1.39 2.338 0 CA-C-O 122.016 0.912 . . . . 0.0 112.396 -175.459 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.488 ' OD1' ' NZ ' ' A' ' 56' ' ' LYS . 24.5 t0 -80.02 126.94 31.69 Favored 'General case' 0 C--N 1.385 2.122 0 CA-C-N 114.477 -1.238 . . . . 0.0 108.199 -177.544 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.488 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 35.8 mmtm 76.66 -67.98 0.2 Allowed 'General case' 0 C--N 1.391 2.411 0 C-N-CA 125.852 1.661 . . . . 0.0 109.809 176.007 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 80.9 m 73.67 54.67 0.11 Allowed 'General case' 0 C--N 1.383 2.048 0 C-N-CA 126.056 1.742 . . . . 0.0 109.123 179.102 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.515 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 23.9 t-20 63.68 71.14 0.5 Allowed 'General case' 0 C--N 1.389 2.293 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 175.731 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.0 tp . . . . . 0 CA--C 1.584 2.262 0 N-CA-C 104.761 -2.311 . . . . 0.0 104.761 -177.669 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.412 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.2 OUTLIER . . . . . 1 N--CA 1.546 4.348 0 N-CA-C 111.478 0.177 . . . . 0.0 111.478 . . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.1 mt -75.19 127.54 36.8 Favored 'Isoleucine or valine' 0 C--N 1.403 2.904 0 CA-C-O 122.536 1.16 . . . . 0.0 109.101 -174.026 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.3 m -136.66 174.16 10.92 Favored 'General case' 0 C--N 1.387 2.214 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.823 169.127 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -106.22 159.08 16.38 Favored 'General case' 0 C--N 1.38 1.895 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -175.881 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -153.89 57.53 0.73 Allowed 'General case' 0 C--N 1.387 2.227 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 176.188 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.211 20.9 m170 -98.31 -168.14 1.61 Allowed 'General case' 0 C--N 1.388 2.259 0 C-N-CA 125.849 1.66 . . . . 0.0 114.317 -179.362 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.9 mt 64.7 -172.42 0.18 Allowed 'General case' 0 C--N 1.383 2.063 0 C-N-CA 125.078 1.351 . . . . 0.0 114.579 176.888 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 64.9 46.29 89.89 Favored Glycine 0 C--N 1.386 3.354 0 CA-C-O 116.897 -2.057 . . . . 0.0 111.629 -179.682 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 45.9 m 109.75 -37.7 0.01 OUTLIER 'General case' 0 C--N 1.394 2.527 0 C-N-CA 129.963 3.305 . . . . 0.0 110.896 176.634 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.37 128.27 24.06 Favored Pre-proline 0 CA--C 1.588 2.432 0 C-N-CA 124.936 1.294 . . . . 0.0 109.897 -174.379 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -99.08 -3.63 0.79 Allowed 'Trans proline' 0 C--N 1.413 3.944 0 N-CA-C 122.021 3.816 . . . . 0.0 122.021 176.769 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -80.25 -14.92 11.71 Favored 'Trans proline' 0 C--N 1.396 3.071 1 N-CA-C 125.634 5.205 . . . . 0.0 125.634 -172.491 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.1 p -90.68 126.19 35.9 Favored 'General case' 0 C--N 1.386 2.158 0 CA-C-N 123.698 2.954 . . . . 0.0 114.668 -173.694 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 65.8 p -134.19 144.34 48.42 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 131.31 3.844 . . . . 0.0 104.53 171.008 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -158.69 135.89 9.91 Favored 'General case' 0 C--N 1.387 2.226 0 C-N-CA 115.28 -2.568 . . . . 0.0 114.307 -168.953 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.7 m -67.27 112.46 4.54 Favored 'General case' 0 C--N 1.395 2.551 0 N-CA-C 104.102 -2.555 . . . . 0.0 104.102 172.408 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 t -115.57 143.24 45.62 Favored 'General case' 0 C--N 1.392 2.422 0 CA-C-O 123.022 1.392 . . . . 0.0 109.762 -172.557 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -80.72 -28.3 36.65 Favored 'General case' 0 C--N 1.386 2.19 0 CA-C-N 114.379 -1.282 . . . . 0.0 112.725 -173.972 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -58.57 136.78 57.68 Favored 'General case' 0 C--N 1.394 2.527 0 CA-C-N 121.1 1.773 . . . . 0.0 106.957 175.927 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.18 65.5 m-20 -72.7 8.41 1.49 Allowed 'General case' 0 C--N 1.385 2.151 0 C-N-CA 129.015 2.926 . . . . 0.0 115.362 -176.834 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.3 m -161.7 151.24 16.39 Favored 'General case' 0 C--N 1.376 1.738 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 -178.316 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.4 p -149.21 153.1 37.12 Favored 'General case' 0 C--N 1.385 2.11 0 C-N-CA 117.192 -1.803 . . . . 0.0 112.894 -179.456 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -122.11 157.25 31.88 Favored 'General case' 0 C--N 1.38 1.902 0 CA-C-N 112.483 -2.144 . . . . 0.0 114.288 -162.511 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.552 ' HZ2' ' C ' ' A' ' 59' ' ' LEU . 56.3 mmtt -106.21 111.23 23.74 Favored 'General case' 0 C--N 1.38 1.903 0 N-CA-C 105.502 -2.036 . . . . 0.0 105.502 -171.956 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.49 ' HA ' ' HE1' ' A' ' 27' ' ' TRP . 0.2 OUTLIER -114.44 101.82 9.5 Favored 'General case' 0 C--N 1.379 1.848 1 N-CA-C 99.942 -4.096 . . . . 0.0 99.942 -175.772 . . . . . . . . 4 4 . 1 . 027 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.79 45.72 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.386 2.173 0 CA-C-O 123.698 1.713 . . . . 0.0 109.922 -165.269 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.49 ' HE1' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -173.22 -93.21 0.01 OUTLIER 'General case' 0 CA--C 1.585 2.29 0 CA-C-N 112.579 -2.101 . . . . 0.0 105.618 -164.399 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.3 12.1 t 83.26 -103.87 0.01 OUTLIER 'General case' 0 CA--C 1.592 2.564 0 N-CA-C 106.162 -1.792 . . . . 0.0 106.162 175.334 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -146.25 -24.31 0.44 Allowed 'General case' 0 C--N 1.387 2.238 0 O-C-N 121.076 -1.015 . . . . 0.0 108.424 173.761 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -87.34 -10.52 51.98 Favored 'General case' 0 C--N 1.382 2.011 0 C-N-CA 129.137 2.975 . . . . 0.0 113.227 177.335 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 74.29 64.39 0.08 Allowed 'General case' 0 C--N 1.391 2.375 0 N-CA-C 105.575 -2.009 . . . . 0.0 105.575 -179.846 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 tp -149.54 161.18 4.84 Favored 'Isoleucine or valine' 0 C--N 1.393 2.498 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -170.873 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -96.35 110.35 24.49 Favored 'Isoleucine or valine' 0 C--N 1.391 2.376 0 N-CA-C 104.75 -2.315 . . . . 0.0 104.75 175.058 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.51 90.01 0.92 Allowed 'General case' 0 C--N 1.389 2.288 0 N-CA-C 102.999 -2.963 . . . . 0.0 102.999 -175.407 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.408 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -122.31 -171.55 2.28 Favored 'General case' 0 C--N 1.376 1.758 0 CA-C-N 111.866 -2.424 . . . . 0.0 115.061 -159.983 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -174.5 -179.26 44.99 Favored Glycine 0 C--N 1.398 3.993 1 C-N-CA 112.824 -4.512 . . . . 0.0 120.099 -170.544 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.3 m -81.6 115.29 20.81 Favored 'General case' 0 C--N 1.386 2.18 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 -178.734 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -162.69 -97.51 0.12 Allowed Glycine 0 C--N 1.39 3.543 0 N-CA-C 105.113 -3.195 . . . . 0.0 105.113 178.573 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.359 9.7 t 84.27 -40.97 0.07 Allowed 'General case' 0 C--N 1.386 2.173 0 CA-C-O 121.586 0.708 . . . . 0.0 112.156 177.66 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 . . . . . 0 CA--C 1.584 2.263 0 N-CA-C 105.648 -1.982 . . . . 0.0 105.648 -170.513 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 2.177 0 CA-C-O 121.798 0.666 . . . . 0.0 114.281 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -50.52 159.6 2.06 Favored 'Trans proline' 0 C--N 1.387 2.604 0 C-N-CA 122.936 2.424 . . . . 0.0 113.882 168.559 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.402 ' CE1' ' HG3' ' A' ' 24' ' ' LYS . 23.0 p90 -87.78 151.05 23.18 Favored 'General case' 0 C--N 1.382 1.981 0 CA-C-N 114.582 -1.19 . . . . 0.0 109.319 178.157 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.5 p -155.83 168.09 28.32 Favored 'General case' 0 C--N 1.403 2.917 0 N-CA-C 120.28 3.437 . . . . 0.0 120.28 -165.672 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 16.1 t -141.59 -174.89 4.18 Favored 'General case' 0 C--N 1.385 2.125 0 CA-C-N 112.075 -2.329 . . . . 0.0 113.29 -173.19 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -144.68 27.98 1.32 Allowed 'General case' 0 C--N 1.387 2.23 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -178.469 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.3 t -109.88 174.67 5.76 Favored 'General case' 0 C--N 1.378 1.84 0 C-N-CA 123.882 0.873 . . . . 0.0 112.382 -179.162 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.478 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 27.0 t70 -66.87 115.14 6.3 Favored 'General case' 0 C--N 1.391 2.409 0 N-CA-C 104.992 -2.225 . . . . 0.0 104.992 174.659 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.478 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 36.4 mmtm 72.14 -59.64 0.55 Allowed 'General case' 0 C--N 1.392 2.431 0 C-N-CA 127.176 2.19 . . . . 0.0 110.474 -178.523 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 23.8 t 70.18 50.35 0.43 Allowed 'General case' 0 C--N 1.382 1.98 0 C-N-CA 128.528 2.731 . . . . 0.0 107.125 -177.089 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 20.3 t30 62.47 87.25 0.1 Allowed 'General case' 0 C--N 1.389 2.292 0 C-N-CA 126.52 1.928 . . . . 0.0 106.243 -177.597 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.552 ' C ' ' HZ2' ' A' ' 24' ' ' LYS . 2.2 tt . . . . . 0 CA--C 1.589 2.46 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 176.154 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.2 tpp85 . . . . . 0 N--CA 1.539 3.976 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.471 HG12 ' HA ' ' A' ' 16' ' ' THR . 30.4 mt -97.34 121.32 47.74 Favored 'Isoleucine or valine' 0 C--N 1.394 2.519 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 -175.127 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.5 m -137.05 151.02 48.45 Favored 'General case' 0 C--N 1.388 2.275 0 CA-C-O 122.819 1.295 . . . . 0.0 108.611 171.749 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -67.35 152.95 44.8 Favored 'General case' 0 C--N 1.382 2.007 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.999 -171.775 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -130.26 32.92 4.4 Favored 'General case' 0 C--N 1.387 2.223 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 169.934 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.194 21.3 m170 -77.83 -178.0 5.2 Favored 'General case' 0 C--N 1.389 2.321 0 C-N-CA 127.196 2.199 . . . . 0.0 115.086 -170.934 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.52 ' H ' ' HA ' ' A' ' 11' ' ' PRO . 30.7 mt 72.11 -170.11 0.14 Allowed 'General case' 0 C--N 1.382 1.992 0 C-N-CA 126.069 1.747 . . . . 0.0 114.084 173.462 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.96 53.13 47.68 Favored Glycine 0 C--N 1.382 3.136 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 -179.039 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.1 m 107.21 -36.65 0.01 OUTLIER 'General case' 0 C--N 1.392 2.438 0 C-N-CA 130.482 3.513 . . . . 0.0 110.188 176.988 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.6 mmtt -130.93 107.43 15.23 Favored Pre-proline 0 C--N 1.385 2.13 0 CA-C-N 118.368 0.531 . . . . 0.0 109.648 -173.86 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.52 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 88.8 Cg_exo -82.11 2.56 8.45 Favored 'Trans proline' 0 CA--C 1.594 3.49 1 N-CA-C 124.205 4.656 . . . . 0.0 124.205 179.85 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -101.29 -23.58 0.05 OUTLIER 'Trans proline' 0 C--N 1.399 3.219 1 N-CA-C 123.321 4.316 . . . . 0.0 123.321 -172.46 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.3 p -78.93 156.38 28.59 Favored 'General case' 0 C--N 1.393 2.477 0 CA-C-N 123.167 2.712 . . . . 0.0 115.825 -172.624 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.3 p -138.02 149.59 46.2 Favored 'General case' 0 C--N 1.378 1.811 0 CA-C-N 112.271 -2.24 . . . . 0.0 108.821 -179.825 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -111.2 111.31 22.3 Favored 'General case' 0 C--N 1.384 2.106 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -171.875 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.471 ' HA ' HG12 ' A' ' 2' ' ' ILE . 98.6 m -81.95 98.98 8.83 Favored 'General case' 0 C--N 1.391 2.404 0 N-CA-C 102.867 -3.012 . . . . 0.0 102.867 172.21 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.3 t -118.55 159.88 22.77 Favored 'General case' 0 C--N 1.387 2.218 0 CA-C-O 123.682 1.706 . . . . 0.0 112.55 -171.503 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -80.08 1.57 27.36 Favored 'General case' 0 C--N 1.377 1.802 0 CA-C-N 112.653 -2.067 . . . . 0.0 112.249 -174.346 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -89.96 126.45 35.74 Favored 'General case' 0 C--N 1.388 2.275 0 CA-C-N 120.689 1.586 . . . . 0.0 107.781 -177.522 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.088 6.5 m-20 -53.03 -14.99 0.68 Allowed 'General case' 0 CA--C 1.587 2.372 0 C-N-CA 129.943 3.297 . . . . 0.0 113.955 179.596 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.0 p -156.06 163.93 39.06 Favored 'General case' 0 C--N 1.381 1.935 0 C-N-CA 125.253 1.421 . . . . 0.0 108.714 -177.702 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.9 p -140.06 172.2 13.1 Favored 'General case' 0 C--N 1.387 2.202 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 -177.843 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.431 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 20.9 p90 -128.69 152.08 48.8 Favored 'General case' 0 C--N 1.381 1.966 0 CA-C-O 124.697 2.189 . . . . 0.0 114.235 -171.909 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.551 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 47.8 mmtt -107.49 112.16 24.79 Favored 'General case' 0 C--N 1.38 1.896 0 CA-C-N 110.832 -2.895 . . . . 0.0 104.38 -179.18 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.543 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 2.3 t30 -114.13 121.38 43.61 Favored 'General case' 0 CA--C 1.579 2.069 0 N-CA-C 102.586 -3.116 . . . . 0.0 102.586 -178.412 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -128.08 -3.72 3.81 Favored 'Isoleucine or valine' 0 C--N 1.401 2.822 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 -151.194 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.543 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -100.12 -102.07 0.24 Allowed 'General case' 0 CA--C 1.582 2.176 1 C-N-CA 132.729 4.412 . . . . 0.0 106.18 -173.765 . . . . . . . . 4 4 . 1 . 028 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.314 14.9 t 88.14 -51.46 0.04 OUTLIER 'General case' 0 C--N 1.392 2.434 0 C-N-CA 126.881 2.072 . . . . 0.0 110.843 177.594 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 55.8 t80 126.82 -60.56 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.398 0 C-N-CA 127.939 2.495 . . . . 0.0 104.296 -179.349 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -53.95 112.14 0.89 Allowed 'General case' 0 C--N 1.396 2.604 0 N-CA-C 101.468 -3.53 . . . . 0.0 101.468 153.189 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -73.16 107.06 5.29 Favored 'General case' 0 C--N 1.4 2.798 0 N-CA-C 105.6 -2.0 . . . . 0.0 105.6 -169.643 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 tp -164.98 162.74 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.399 2.752 0 C-N-CA 118.01 -1.476 . . . . 0.0 113.402 -168.388 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 26.1 mm -99.9 100.67 10.88 Favored 'Isoleucine or valine' 0 C--N 1.388 2.26 0 N-CA-C 106.121 -1.807 . . . . 0.0 106.121 178.208 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.01 123.75 21.17 Favored 'General case' 0 C--N 1.383 2.048 0 N-CA-C 103.187 -2.894 . . . . 0.0 103.187 -179.681 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.519 ' HG2' HH11 ' A' ' 35' ' ' ARG . 3.8 ptt-85 -166.01 -168.13 1.2 Allowed 'General case' 0 C--N 1.391 2.379 0 C-N-CA 118.06 -1.456 . . . . 0.0 112.312 -151.54 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 175.19 -169.32 42.16 Favored Glycine 0 C--N 1.393 3.717 0 C-N-CA 113.987 -3.959 . . . . 0.0 117.557 -175.29 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.1 p -80.21 124.69 29.02 Favored 'General case' 0 C--N 1.385 2.12 0 CA-C-N 113.899 -1.15 . . . . 0.0 111.465 -175.943 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.58 -91.81 0.08 OUTLIER Glycine 0 C--N 1.398 3.99 0 C-N-CA 117.302 -2.38 . . . . 0.0 107.822 175.942 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.318 35.9 t 83.6 -59.28 0.13 Allowed 'General case' 0 C--N 1.384 2.1 0 CA-C-O 122.259 1.028 . . . . 0.0 109.089 -175.917 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.383 2.047 0 N-CA-C 104.721 -2.325 . . . . 0.0 104.721 -172.678 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 1.979 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.431 ' HB2' ' HB2' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -57.99 158.32 21.72 Favored 'Trans proline' 0 C--N 1.382 2.309 0 CA-C-O 122.651 1.021 . . . . 0.0 113.974 176.154 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . 0.255 0.5 OUTLIER -82.92 144.68 29.87 Favored 'General case' 0 C--N 1.385 2.141 0 CA-C-N 114.059 -1.428 . . . . 0.0 110.159 -178.312 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.429 ' SG ' ' N ' ' A' ' 52' ' ' CYS . 36.1 t -118.97 155.99 30.37 Favored 'General case' 0 C--N 1.395 2.581 0 N-CA-C 118.864 2.912 . . . . 0.0 118.864 -164.499 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.429 ' N ' ' SG ' ' A' ' 51' ' ' CYS . 5.2 t -142.06 160.46 40.18 Favored 'General case' 0 C--N 1.388 2.266 0 C-N-CA 127.904 2.482 . . . . 0.0 111.115 177.162 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -125.1 62.75 1.16 Allowed 'General case' 0 C--N 1.391 2.395 0 CA-C-N 119.371 0.987 . . . . 0.0 109.074 -179.659 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.17 167.73 28.32 Favored 'General case' 0 C--N 1.385 2.152 0 C-N-CA 118.413 -1.315 . . . . 0.0 111.5 177.935 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.495 ' OD1' ' NZ ' ' A' ' 56' ' ' LYS . 39.6 t0 -68.04 118.85 11.76 Favored 'General case' 0 C--N 1.385 2.137 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 174.605 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.495 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 0.0 OUTLIER 71.59 -54.8 0.67 Allowed 'General case' 0 C--N 1.398 2.705 0 C-N-CA 127.336 2.254 . . . . 0.0 113.956 -177.772 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 92.5 m 56.43 59.37 3.66 Favored 'General case' 0 CA--C 1.581 2.137 0 N-CA-C 104.552 -2.388 . . . . 0.0 104.552 -163.213 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 74.7 -64.78 0.37 Allowed 'General case' 0 C--N 1.39 2.358 0 C-N-CA 131.267 3.827 . . . . 0.0 112.326 174.583 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.551 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 25.7 tp . . . . . 0 CA--C 1.58 2.118 0 N-CA-C 101.998 -3.334 . . . . 0.0 101.998 -171.095 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.0 tpp85 . . . . . 0 N--CA 1.535 3.802 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.6 mp -102.49 128.71 54.97 Favored 'Isoleucine or valine' 0 C--N 1.39 2.328 0 CA-C-O 123.183 1.468 . . . . 0.0 109.77 -174.948 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.0 p -152.44 153.47 33.6 Favored 'General case' 0 C--N 1.383 2.028 0 CA-C-N 114.826 -1.079 . . . . 0.0 108.948 175.63 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -77.62 176.09 9.28 Favored 'General case' 0 C--N 1.39 2.359 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 -165.141 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -152.99 52.17 0.75 Allowed 'General case' 0 C--N 1.386 2.182 0 N-CA-C 103.097 -2.927 . . . . 0.0 103.097 168.738 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.191 8.4 m170 -104.05 -147.59 0.39 Allowed 'General case' 0 C--N 1.389 2.285 0 C-N-CA 126.656 1.982 . . . . 0.0 110.489 -175.327 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.358 5.6 mp 62.73 -170.8 0.17 Allowed 'General case' 0 C--N 1.387 2.212 0 CA-C-O 123.008 1.385 . . . . 0.0 112.762 173.45 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.3 -80.62 1.81 Allowed Glycine 0 C--N 1.383 3.184 0 N-CA-C 105.11 -3.196 . . . . 0.0 105.11 -167.738 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 87.0 m -140.98 -32.95 0.54 Allowed 'General case' 0 C--N 1.378 1.842 0 CA-C-N 114.24 -0.98 . . . . 0.0 111.108 -179.569 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -107.77 115.81 58.38 Favored Pre-proline 0 CA--C 1.58 2.107 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 -175.273 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -87.51 -16.58 3.06 Favored 'Trans proline' 0 C--N 1.404 3.466 0 N-CA-C 122.0 3.808 . . . . 0.0 122.0 -175.927 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -77.24 -21.01 12.25 Favored 'Trans proline' 0 C--N 1.395 2.994 1 N-CA-C 125.83 5.281 . . . . 0.0 125.83 -171.839 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.5 p -77.84 141.09 39.37 Favored 'General case' 0 C--N 1.394 2.53 0 CA-C-N 125.054 3.57 . . . . 0.0 113.209 -174.338 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.3 p -129.68 144.49 51.31 Favored 'General case' 0 C--N 1.381 1.959 0 CA-C-N 112.947 -1.933 . . . . 0.0 109.216 -176.988 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -109.74 106.01 15.48 Favored 'General case' 0 C--N 1.381 1.961 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 -174.736 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 67.7 m -87.57 107.29 18.52 Favored 'General case' 0 C--N 1.386 2.17 0 N-CA-C 102.777 -3.045 . . . . 0.0 102.777 177.512 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -119.26 145.82 45.76 Favored 'General case' 0 C--N 1.393 2.489 0 CA-C-O 122.987 1.375 . . . . 0.0 113.123 -168.714 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.2 mp0 -89.29 52.41 2.37 Favored 'General case' 0 C--N 1.386 2.155 0 CA-C-N 113.42 -1.718 . . . . 0.0 106.5 177.519 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -149.58 129.09 13.05 Favored 'General case' 0 C--N 1.379 1.872 0 N-CA-C 105.192 -2.151 . . . . 0.0 105.192 -179.854 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.129 45.8 m-20 -41.64 -47.94 4.0 Favored 'General case' 0 C--N 1.381 1.942 0 C-N-CA 126.679 1.992 . . . . 0.0 110.739 -179.132 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.5 m -124.78 164.97 18.85 Favored 'General case' 0 C--N 1.389 2.291 0 CA-C-O 124.89 2.281 . . . . 0.0 115.652 -169.009 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.4 p -148.53 166.95 26.68 Favored 'General case' 0 C--N 1.378 1.835 0 CA-C-N 111.35 -2.659 . . . . 0.0 113.317 174.431 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -113.69 146.93 39.08 Favored 'General case' 0 C--N 1.379 1.876 0 CA-C-N 114.391 -1.277 . . . . 0.0 111.267 -171.95 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.549 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 59.3 mttt -120.67 110.91 16.97 Favored 'General case' 0 C--N 1.388 2.251 0 N-CA-C 104.841 -2.281 . . . . 0.0 104.841 179.069 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.635 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 2.2 t30 -113.83 129.25 56.61 Favored 'General case' 0 CA--C 1.581 2.141 0 C-N-CA 126.4 1.88 . . . . 0.0 106.736 -164.095 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -123.39 -23.99 2.39 Favored 'Isoleucine or valine' 0 C--N 1.401 2.805 0 N-CA-C 117.192 2.293 . . . . 0.0 117.192 -155.641 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.635 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -65.37 -99.26 0.0 OUTLIER 'General case' 0 CA--C 1.589 2.455 1 C-N-CA 131.918 4.087 . . . . 0.0 106.334 175.681 . . . . . . . . 4 4 . 1 . 029 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.255 9.7 t 74.97 -11.12 1.11 Allowed 'General case' 0 C--N 1.39 2.343 0 CA-C-O 116.842 -1.551 . . . . 0.0 113.886 174.825 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . 0.313 91.4 t80 86.62 -37.88 0.04 OUTLIER 'General case' 0 C--N 1.393 2.468 0 CA-C-N 122.698 2.499 . . . . 0.0 108.96 -173.192 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -86.25 -6.46 58.97 Favored 'General case' 0 CA--C 1.578 2.049 0 CA-C-O 116.784 -1.579 . . . . 0.0 112.988 177.501 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.8 t30 64.55 73.3 0.43 Allowed 'General case' 0 C--N 1.396 2.623 0 CA-C-N 122.943 2.61 . . . . 0.0 105.187 177.271 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 tp -159.0 157.42 3.23 Favored 'Isoleucine or valine' 0 C--N 1.392 2.433 0 C-N-CA 119.388 -0.925 . . . . 0.0 112.224 -174.947 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.6 mm -96.42 94.36 4.08 Favored 'Isoleucine or valine' 0 C--N 1.39 2.328 0 N-CA-C 106.067 -1.827 . . . . 0.0 106.067 177.898 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.73 128.17 21.27 Favored 'General case' 0 C--N 1.382 1.985 0 N-CA-C 104.155 -2.535 . . . . 0.0 104.155 179.851 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.451 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -169.47 -165.97 0.56 Allowed 'General case' 0 C--N 1.399 2.758 0 C-N-CA 117.635 -1.626 . . . . 0.0 113.067 -148.458 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -179.77 -178.54 48.52 Favored Glycine 0 C--N 1.393 3.742 1 C-N-CA 113.596 -4.145 . . . . 0.0 119.209 -170.28 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 47.3 t -66.73 121.5 15.57 Favored 'General case' 0 C--N 1.391 2.371 0 CA-C-N 114.157 -1.021 . . . . 0.0 108.908 -176.916 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.45 -108.96 0.21 Allowed Glycine 1 C--N 1.402 4.225 0 C-N-CA 116.212 -2.899 . . . . 0.0 107.962 179.187 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.394 41.9 t 81.57 -163.35 0.02 OUTLIER 'General case' 0 C--N 1.387 2.237 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 176.932 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--N 1.385 2.112 0 CA-C-N 114.795 -1.093 . . . . 0.0 108.414 173.562 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.574 3.723 0 N-CA-C 109.408 -1.477 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . 0.255 19.1 Cg_exo -58.93 -178.83 0.13 Allowed 'Trans proline' 0 C--N 1.384 2.415 1 C-N-CA 127.332 5.354 . . . . 0.0 115.565 172.991 . . . . . . . . 3 2 . 1 . 029 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -89.98 141.55 28.55 Favored 'General case' 0 C--N 1.388 2.26 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 173.452 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 34.0 m -115.76 147.49 40.88 Favored 'General case' 0 C--N 1.391 2.412 0 CA-C-O 123.503 1.621 . . . . 0.0 113.46 -172.799 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 23.0 t -110.03 146.14 35.83 Favored 'General case' 0 C--N 1.382 2.015 0 CA-C-N 113.068 -1.878 . . . . 0.0 107.94 169.683 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -130.73 26.3 5.01 Favored 'General case' 0 C--N 1.378 1.836 0 CA-C-O 122.669 1.223 . . . . 0.0 110.148 172.527 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.4 p -127.27 171.33 11.57 Favored 'General case' 0 C--N 1.379 1.865 0 C-N-CA 127.322 2.249 . . . . 0.0 109.718 177.642 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.473 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 30.8 t0 -72.99 129.77 38.84 Favored 'General case' 0 C--N 1.385 2.122 0 C-N-CA 117.621 -1.631 . . . . 0.0 108.278 178.182 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.473 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 40.3 mmtm 76.3 -69.21 0.17 Allowed 'General case' 0 C--N 1.391 2.408 0 C-N-CA 127.006 2.122 . . . . 0.0 113.849 172.3 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.254 58.8 m 61.18 63.84 1.18 Allowed 'General case' 0 CA--C 1.582 2.202 0 N-CA-C 105.155 -2.165 . . . . 0.0 105.155 -166.926 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.259 87.1 m-20 69.92 -57.88 0.54 Allowed 'General case' 0 C--N 1.39 2.331 0 C-N-CA 130.851 3.66 . . . . 0.0 112.334 175.882 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.549 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 2.5 mt . . . . . 0 CA--C 1.591 2.554 0 N-CA-C 104.813 -2.292 . . . . 0.0 104.813 -178.517 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.447 HH21 ' CG ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.537 3.906 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.0 mt -75.5 125.61 35.31 Favored 'Isoleucine or valine' 0 C--N 1.395 2.556 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 176.95 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.1 m -136.79 178.51 7.02 Favored 'General case' 0 C--N 1.383 2.052 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.883 169.491 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.426 ' CD2' HG22 ' A' ' 14' ' ' THR . 19.8 m-85 -112.16 172.01 7.16 Favored 'General case' 0 C--N 1.38 1.896 0 N-CA-C 115.386 1.624 . . . . 0.0 115.386 -165.712 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 48.9 p30 -156.43 34.39 0.32 Allowed 'General case' 0 C--N 1.39 2.356 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 169.095 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.174 14.9 m170 -75.08 -168.74 0.8 Allowed 'General case' 0 C--N 1.387 2.207 0 C-N-CA 125.514 1.526 . . . . 0.0 113.436 -176.991 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.311 20.5 mt 69.82 -168.4 0.17 Allowed 'General case' 0 C--N 1.385 2.114 0 CA-C-O 121.827 0.823 . . . . 0.0 112.689 174.348 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.484 ' H ' HG12 ' A' ' 32' ' ' ILE . . . 90.84 -66.2 2.56 Favored Glycine 0 C--N 1.383 3.182 0 N-CA-C 105.682 -2.967 . . . . 0.0 105.682 -166.712 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.9 m -151.07 -41.24 0.12 Allowed 'General case' 0 C--N 1.378 1.847 0 CA-C-N 113.198 -1.501 . . . . 0.0 108.096 175.154 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -103.37 128.32 27.77 Favored Pre-proline 0 CA--C 1.585 2.29 0 CA-C-O 118.934 -0.555 . . . . 0.0 112.268 -173.079 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -93.91 -2.26 3.03 Favored 'Trans proline' 0 C--N 1.411 3.839 1 N-CA-C 123.611 4.427 . . . . 0.0 123.611 -176.17 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -90.15 -18.17 1.43 Allowed 'Trans proline' 0 C--N 1.399 3.196 1 N-CA-C 124.151 4.635 . . . . 0.0 124.151 -172.957 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.6 p -86.08 142.6 28.58 Favored 'General case' 0 C--N 1.391 2.388 0 CA-C-N 123.189 2.722 . . . . 0.0 116.505 -170.983 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.426 HG22 ' CD2' ' A' ' 4' ' ' TYR . 64.9 p -140.12 148.53 41.81 Favored 'General case' 0 C--N 1.38 1.898 0 CA-C-N 110.783 -2.917 . . . . 0.0 108.189 -179.666 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -115.78 119.4 35.9 Favored 'General case' 0 C--N 1.379 1.868 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 -174.72 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 53.6 m -75.25 107.08 7.12 Favored 'General case' 0 C--N 1.393 2.487 0 N-CA-C 101.93 -3.359 . . . . 0.0 101.93 169.457 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.6 t -113.96 146.97 39.36 Favored 'General case' 0 C--N 1.394 2.529 0 CA-C-O 123.249 1.5 . . . . 0.0 111.317 -170.111 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -89.93 -18.94 25.16 Favored 'General case' 0 C--N 1.383 2.043 0 CA-C-N 113.436 -1.711 . . . . 0.0 113.085 -174.27 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -76.32 128.71 35.42 Favored 'General case' 0 C--N 1.388 2.28 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 177.152 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.447 ' CG ' HH21 ' A' ' 1' ' ' ARG 2.163 46.9 m-20 -63.27 1.22 0.52 Allowed 'General case' 0 C--N 1.389 2.299 0 C-N-CA 127.913 2.485 . . . . 0.0 116.36 -172.589 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.9 m -144.11 152.07 40.44 Favored 'General case' 0 C--N 1.375 1.715 0 CA-C-O 122.779 1.276 . . . . 0.0 108.273 179.213 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.6 p -151.57 145.56 25.22 Favored 'General case' 0 C--N 1.379 1.887 0 CA-C-O 123.328 1.537 . . . . 0.0 109.38 -179.152 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.407 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 35.4 p90 -116.96 144.9 44.03 Favored 'General case' 0 C--N 1.38 1.933 0 CA-C-N 114.34 -1.3 . . . . 0.0 114.445 -161.406 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.455 ' NZ ' ' O ' ' A' ' 58' ' ' ASN . 25.5 mtpp -96.21 112.31 24.09 Favored 'General case' 0 C--N 1.387 2.234 0 N-CA-C 104.232 -2.507 . . . . 0.0 104.232 177.6 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.512 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 2.2 t30 -115.43 126.02 53.84 Favored 'General case' 0 CA--C 1.582 2.194 0 N-CA-C 102.682 -3.081 . . . . 0.0 102.682 -175.709 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.38 -19.48 3.42 Favored 'Isoleucine or valine' 0 C--N 1.393 2.471 0 N-CA-C 116.883 2.179 . . . . 0.0 116.883 -149.568 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.512 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -85.54 -99.03 0.07 Allowed 'General case' 0 CA--C 1.578 2.03 1 C-N-CA 133.974 4.91 . . . . 0.0 104.986 178.205 . . . . . . . . 4 4 . 1 . 030 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.5 t 75.2 155.25 0.16 Allowed 'General case' 0 C--N 1.39 2.343 0 CA-C-O 122.467 1.127 . . . . 0.0 110.841 178.282 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -54.77 -44.23 73.47 Favored 'General case' 0 C--N 1.388 2.272 0 O-C-N 121.625 -0.672 . . . . 0.0 110.976 179.543 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.53 4.36 13.54 Favored 'General case' 0 CA--C 1.581 2.143 0 C-N-CA 128.48 2.712 . . . . 0.0 113.477 -177.608 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 53.06 67.63 0.97 Allowed 'General case' 0 C--N 1.394 2.533 0 CA-C-N 122.082 2.219 . . . . 0.0 105.598 178.019 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.484 HG12 ' H ' ' A' ' 8' ' ' GLY . 8.5 tp -153.52 164.45 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.384 2.089 0 CA-C-N 114.673 -1.149 . . . . 0.0 111.682 -169.53 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.9 mp -92.31 98.09 7.97 Favored 'Isoleucine or valine' 0 C--N 1.384 2.093 0 N-CA-C 102.636 -3.098 . . . . 0.0 102.636 173.844 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.51 HH11 ' HG2' ' A' ' 34' ' ' ARG . 9.0 ttp85 -143.57 125.1 14.83 Favored 'General case' 0 C--N 1.386 2.192 0 N-CA-C 103.841 -2.652 . . . . 0.0 103.841 -177.969 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.425 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -152.0 -166.54 2.52 Favored 'General case' 0 C--N 1.388 2.258 0 C-N-CA 118.087 -1.445 . . . . 0.0 114.166 -157.949 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -170.51 -169.02 33.12 Favored Glycine 0 C--N 1.393 3.71 1 C-N-CA 113.213 -4.327 . . . . 0.0 119.029 -174.974 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.4 t -95.87 117.29 30.3 Favored 'General case' 0 C--N 1.384 2.09 0 CA-C-N 113.382 -1.409 . . . . 0.0 109.331 -174.516 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.37 -87.37 0.07 OUTLIER Glycine 0 C--N 1.395 3.82 0 C-N-CA 116.973 -2.537 . . . . 0.0 106.783 173.951 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.351 28.4 t 78.53 -164.38 0.03 OUTLIER 'General case' 0 C--N 1.387 2.201 0 CA-C-N 114.57 -0.815 . . . . 0.0 112.216 -176.903 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 . . . . . 0 CA--C 1.586 2.345 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 164.293 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.565 3.177 0 N-CA-C 112.673 -0.171 . . . . 0.0 112.673 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -50.7 151.92 10.13 Favored 'Trans proline' 0 C--N 1.393 2.888 0 CA-C-O 124.094 1.623 . . . . 0.0 108.591 169.817 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 26.7 p90 -77.93 149.87 34.11 Favored 'General case' 0 C--N 1.383 2.024 0 CA-C-N 113.454 -1.703 . . . . 0.0 110.679 -178.562 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.8 m -118.67 160.28 22.12 Favored 'General case' 0 C--N 1.391 2.392 0 N-CA-C 116.626 2.084 . . . . 0.0 116.626 -166.477 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.2 t -122.72 157.57 32.01 Favored 'General case' 0 C--N 1.38 1.925 0 CA-C-N 112.19 -2.277 . . . . 0.0 109.535 169.377 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -135.15 52.36 2.04 Favored 'General case' 0 C--N 1.383 2.046 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 170.887 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 t -143.58 174.14 11.04 Favored 'General case' 0 C--N 1.386 2.194 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.798 177.178 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.515 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 25.7 t70 -66.12 126.36 28.42 Favored 'General case' 0 C--N 1.387 2.197 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 179.16 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.515 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 36.8 mmtm 71.03 -87.93 0.03 OUTLIER 'General case' 0 C--N 1.388 2.26 0 C-N-CA 126.467 1.907 . . . . 0.0 110.098 176.123 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.293 5.1 m 82.53 50.42 0.02 OUTLIER 'General case' 0 C--N 1.385 2.146 0 C-N-CA 129.025 2.93 . . . . 0.0 109.162 -174.612 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.455 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 71.0 m-80 54.6 58.41 4.9 Favored 'General case' 0 C--N 1.39 2.337 0 C-N-CA 125.498 1.519 . . . . 0.0 109.01 174.442 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.8 tt . . . . . 0 CA--C 1.581 2.137 0 N-CA-C 102.649 -3.093 . . . . 0.0 102.649 -175.186 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.46 ' HG2' HH11 ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 1 N--CA 1.541 4.093 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 . . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 78.2 mt -136.68 128.72 44.04 Favored 'Isoleucine or valine' 0 C--N 1.384 2.085 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 177.528 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.3 m -132.46 143.91 50.11 Favored 'General case' 0 C--N 1.39 2.329 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 172.796 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -82.57 160.21 22.6 Favored 'General case' 0 C--N 1.391 2.37 0 O-C-N 120.377 -1.452 . . . . 0.0 113.956 -167.419 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -138.33 -1.52 1.9 Allowed 'General case' 0 C--N 1.394 2.535 0 CA-C-O 118.228 -0.891 . . . . 0.0 112.24 -173.247 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.474 ' HB2' ' H ' ' A' ' 13' ' ' THR 2.217 15.6 m170 -68.38 -155.69 0.02 OUTLIER 'General case' 0 C--N 1.384 2.087 0 C-N-CA 125.783 1.633 . . . . 0.0 114.66 -170.277 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.489 ' H ' ' HA ' ' A' ' 11' ' ' PRO 0.281 60.9 mt 77.89 178.85 0.14 Allowed 'General case' 0 C--N 1.383 2.033 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 172.439 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 64.59 -127.05 33.67 Favored Glycine 0 CA--C 1.572 3.641 0 CA-C-O 123.155 1.42 . . . . 0.0 109.731 -170.711 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.1 m -69.79 -42.02 74.32 Favored 'General case' 0 C--N 1.385 2.121 0 O-C-N 121.878 -0.777 . . . . 0.0 111.142 -172.34 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -121.19 106.57 38.33 Favored Pre-proline 0 C--N 1.383 2.029 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 -173.453 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.489 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 81.0 Cg_exo -84.22 -9.51 9.43 Favored 'Trans proline' 0 C--N 1.4 3.265 0 N-CA-C 122.385 3.956 . . . . 0.0 122.385 -176.66 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -75.8 -12.39 19.98 Favored 'Trans proline' 0 C--N 1.394 2.924 1 N-CA-C 128.474 6.298 . . . . 0.0 128.474 -172.968 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.474 ' H ' ' HB2' ' A' ' 6' ' ' HIS . 31.1 p -111.12 160.11 17.2 Favored 'General case' 0 C--N 1.389 2.321 1 CA-C-N 126.443 4.202 . . . . 0.0 118.942 -171.993 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 67.1 p -132.56 148.44 52.37 Favored 'General case' 0 C--N 1.373 1.629 0 CA-C-N 110.337 -3.119 . . . . 0.0 107.886 179.911 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -115.94 113.55 23.43 Favored 'General case' 0 C--N 1.384 2.075 0 CA-C-O 123.185 1.469 . . . . 0.0 110.121 -171.766 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 m -69.12 124.55 24.08 Favored 'General case' 0 C--N 1.392 2.441 0 N-CA-C 105.037 -2.208 . . . . 0.0 105.037 167.144 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -119.81 131.82 55.42 Favored 'General case' 0 C--N 1.384 2.072 0 N-CA-C 106.008 -1.849 . . . . 0.0 106.008 174.642 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -141.29 56.8 1.53 Allowed 'General case' 0 C--N 1.376 1.733 0 N-CA-C 103.665 -2.717 . . . . 0.0 103.665 166.335 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -131.27 47.02 2.58 Favored 'General case' 0 C--N 1.383 2.051 0 N-CA-C 106.171 -1.789 . . . . 0.0 106.171 -179.406 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.346 0.9 OUTLIER 78.48 -44.8 0.39 Allowed 'General case' 0 C--N 1.385 2.134 0 C-N-CA 127.214 2.206 . . . . 0.0 114.819 173.367 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.0 m -148.39 162.55 39.33 Favored 'General case' 0 C--N 1.385 2.119 0 CA-C-O 123.795 1.759 . . . . 0.0 115.46 -170.213 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -142.77 178.76 7.43 Favored 'General case' 0 C--N 1.384 2.103 0 CA-C-N 112.955 -1.929 . . . . 0.0 112.412 174.397 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -152.81 156.63 39.43 Favored 'General case' 0 C--N 1.383 2.037 0 CA-C-O 123.546 1.641 . . . . 0.0 114.92 -170.021 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.32 135.06 50.25 Favored 'General case' 0 C--N 1.384 2.086 0 CA-C-N 112.119 -2.31 . . . . 0.0 107.076 173.388 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.611 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 22.2 t-20 -133.57 119.04 18.96 Favored 'General case' 0 CA--C 1.573 1.843 0 N-CA-C 103.105 -2.924 . . . . 0.0 103.105 -177.278 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -136.37 -25.39 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.404 2.978 0 N-CA-C 118.798 2.888 . . . . 0.0 118.798 -151.496 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.611 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -63.83 -109.66 0.0 OUTLIER 'General case' 0 CA--C 1.591 2.547 1 C-N-CA 132.361 4.264 . . . . 0.0 108.146 172.262 . . . . . . . . 4 4 . 1 . 031 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.9 t 76.64 160.18 0.22 Allowed 'General case' 0 C--N 1.394 2.511 0 C-N-CA 125.744 1.618 . . . . 0.0 112.867 176.776 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -60.95 -46.27 91.39 Favored 'General case' 0 C--N 1.393 2.469 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 172.457 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -76.05 0.46 18.58 Favored 'General case' 0 CA--C 1.575 1.941 0 C-N-CA 126.899 2.079 . . . . 0.0 113.966 -176.711 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 54.49 67.46 1.01 Allowed 'General case' 0 C--N 1.396 2.607 0 CA-C-N 122.963 2.62 . . . . 0.0 107.498 173.155 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.0 tp -155.25 153.7 7.58 Favored 'Isoleucine or valine' 0 C--N 1.387 2.218 0 CA-C-O 121.811 0.815 . . . . 0.0 110.56 -174.819 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 30.1 mt -94.59 93.26 3.83 Favored 'Isoleucine or valine' 0 C--N 1.388 2.252 0 N-CA-C 105.343 -2.095 . . . . 0.0 105.343 179.499 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.422 HH11 ' HG2' ' A' ' 34' ' ' ARG . 1.8 ttp85 -130.88 111.74 12.36 Favored 'General case' 0 C--N 1.385 2.119 0 N-CA-C 103.179 -2.897 . . . . 0.0 103.179 -176.408 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.424 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -153.57 -162.42 1.45 Allowed 'General case' 0 C--N 1.383 2.041 0 CA-C-N 111.815 -2.448 . . . . 0.0 111.818 -154.32 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 178.42 -164.02 32.36 Favored Glycine 0 C--N 1.391 3.602 1 C-N-CA 113.569 -4.158 . . . . 0.0 119.046 -173.544 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.9 t -93.37 110.58 22.12 Favored 'General case' 0 C--N 1.38 1.893 0 CA-C-N 111.6 -2.3 . . . . 0.0 108.013 -178.418 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.11 -97.24 0.11 Allowed Glycine 1 C--N 1.4 4.121 0 C-N-CA 115.34 -3.314 . . . . 0.0 107.907 176.383 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.449 20.5 t 85.92 -155.96 0.01 OUTLIER 'General case' 0 C--N 1.38 1.897 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 179.226 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 . . . . . 0 C--N 1.386 2.162 0 N-CA-C 104.613 -2.366 . . . . 0.0 104.613 176.91 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 2.27 0 CA-C-O 120.706 0.059 . . . . 0.0 113.243 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -64.59 171.45 8.25 Favored 'Trans proline' 0 C--N 1.389 2.703 0 O-C-N 123.075 1.039 . . . . 0.0 111.301 172.883 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -97.85 128.53 44.53 Favored 'General case' 0 C--N 1.389 2.294 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 179.345 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.3 m -121.03 167.6 12.42 Favored 'General case' 0 C--N 1.392 2.436 0 N-CA-C 117.593 2.442 . . . . 0.0 117.593 -162.033 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.9 t -158.36 158.43 34.25 Favored 'General case' 0 C--N 1.387 2.196 0 CA-C-N 113.593 -1.639 . . . . 0.0 111.967 -174.722 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -120.72 49.56 1.44 Allowed 'General case' 0 C--N 1.384 2.094 0 CA-C-O 121.201 0.524 . . . . 0.0 110.482 -178.623 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 93.5 p -143.55 166.5 24.65 Favored 'General case' 0 C--N 1.385 2.125 0 C-N-CA 123.829 0.852 . . . . 0.0 110.574 177.441 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.458 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 29.5 t0 -73.86 119.8 18.57 Favored 'General case' 0 C--N 1.395 2.572 0 C-N-CA 119.645 -0.822 . . . . 0.0 109.121 -170.237 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.458 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.304 3.5 mppt? 68.37 -57.65 0.48 Allowed 'General case' 0 C--N 1.4 2.788 0 C-N-CA 127.489 2.315 . . . . 0.0 107.96 -169.395 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 37.9 t 81.16 -50.87 0.29 Allowed 'General case' 0 C--N 1.383 2.06 0 C-N-CA 129.098 2.959 . . . . 0.0 108.485 178.877 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -123.97 -93.05 0.51 Allowed 'General case' 0 C--N 1.386 2.189 0 N-CA-C 102.865 -3.013 . . . . 0.0 102.865 169.449 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 CA--C 1.581 2.139 0 N-CA-C 102.076 -3.305 . . . . 0.0 102.076 -175.532 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.534 3.758 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.4 mt -106.3 129.83 59.0 Favored 'Isoleucine or valine' 0 C--N 1.389 2.314 0 CA-C-O 121.935 0.874 . . . . 0.0 111.49 -170.732 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.5 m -141.01 162.17 36.11 Favored 'General case' 0 C--N 1.389 2.325 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 167.688 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -78.59 149.23 33.01 Favored 'General case' 0 C--N 1.388 2.275 0 O-C-N 121.144 -0.972 . . . . 0.0 112.424 -174.79 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -138.63 57.37 1.69 Allowed 'General case' 0 C--N 1.387 2.231 0 N-CA-C 104.4 -2.444 . . . . 0.0 104.4 177.074 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.164 3.4 m170 -108.2 -149.34 0.43 Allowed 'General case' 0 C--N 1.386 2.195 0 C-N-CA 128.18 2.592 . . . . 0.0 112.045 -174.903 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.373 4.7 mp 64.6 -163.43 0.26 Allowed 'General case' 0 C--N 1.389 2.301 0 CA-C-O 122.388 1.09 . . . . 0.0 111.758 172.203 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.52 -52.3 4.68 Favored Glycine 0 C--N 1.384 3.244 0 N-CA-C 108.837 -1.705 . . . . 0.0 108.837 -166.779 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.7 m -175.41 -43.07 0.01 OUTLIER 'General case' 0 C--N 1.384 2.098 0 C-N-CA 125.61 1.564 . . . . 0.0 107.147 -175.995 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -104.46 118.8 55.75 Favored Pre-proline 0 CA--C 1.591 2.526 0 C-N-CA 125.118 1.367 . . . . 0.0 110.657 -174.009 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -92.78 13.23 1.83 Allowed 'Trans proline' 0 C--N 1.41 3.793 0 N-CA-C 122.397 3.96 . . . . 0.0 122.397 -179.091 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -82.44 -19.24 6.57 Favored 'Trans proline' 0 C--N 1.405 3.516 1 N-CA-C 123.713 4.467 . . . . 0.0 123.713 -176.269 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.3 p -94.55 151.54 19.25 Favored 'General case' 0 C--N 1.392 2.419 0 CA-C-N 124.012 3.096 . . . . 0.0 116.46 -174.487 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 78.4 p -135.84 144.33 45.6 Favored 'General case' 0 C--N 1.382 2.016 0 CA-C-N 112.694 -2.048 . . . . 0.0 109.107 -176.904 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -99.88 88.75 3.86 Favored 'General case' 0 C--N 1.374 1.672 0 N-CA-C 105.39 -2.078 . . . . 0.0 105.39 -174.206 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.4 m -88.7 101.16 13.72 Favored 'General case' 0 C--N 1.389 2.317 0 N-CA-C 103.434 -2.802 . . . . 0.0 103.434 -179.75 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.6 t -131.65 160.79 34.36 Favored 'General case' 0 C--N 1.393 2.48 0 CA-C-O 123.303 1.525 . . . . 0.0 115.028 -163.292 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.63 -16.05 37.86 Favored 'General case' 0 C--N 1.378 1.832 0 CA-C-N 112.836 -1.984 . . . . 0.0 113.031 -178.27 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -74.36 127.72 33.73 Favored 'General case' 0 CA--C 1.585 2.294 0 N-CA-C 106.491 -1.67 . . . . 0.0 106.491 178.635 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.095 68.6 m-20 -47.45 -40.33 17.92 Favored 'General case' 0 C--N 1.388 2.253 0 C-N-CA 130.423 3.489 . . . . 0.0 114.735 -171.595 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.1 t -117.78 134.46 54.89 Favored 'General case' 0 C--N 1.378 1.826 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 -174.976 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.269 22.9 p -117.91 145.31 44.74 Favored 'General case' 0 C--N 1.383 2.029 0 CA-C-O 124.425 2.059 . . . . 0.0 109.468 173.541 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -112.01 157.58 20.57 Favored 'General case' 0 C--N 1.375 1.686 0 CA-C-N 113.007 -1.906 . . . . 0.0 112.077 -165.445 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.418 ' NZ ' ' O ' ' A' ' 57' ' ' CYS . 43.4 mttt -120.64 112.3 18.72 Favored 'General case' 0 C--N 1.378 1.832 0 CA-C-O 124.907 2.289 . . . . 0.0 104.967 -178.365 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -114.9 119.21 35.77 Favored 'General case' 0 CA--C 1.58 2.105 0 N-CA-C 102.986 -2.968 . . . . 0.0 102.986 -174.453 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.5 pp -135.24 28.04 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.395 2.562 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 -154.46 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.55 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -146.07 -107.02 0.1 Allowed 'General case' 0 CA--C 1.574 1.894 0 C-N-CA 127.58 2.352 . . . . 0.0 104.993 -164.199 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.4 t 75.83 160.6 0.23 Allowed 'General case' 0 C--N 1.391 2.386 0 O-C-N 120.9 -1.125 . . . . 0.0 111.815 179.229 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -59.15 -38.65 80.21 Favored 'General case' 0 C--N 1.391 2.371 0 O-C-N 121.795 -0.565 . . . . 0.0 109.764 176.063 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -79.17 2.57 20.53 Favored 'General case' 0 CA--C 1.585 2.324 0 C-N-CA 128.629 2.772 . . . . 0.0 114.362 -178.8 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . 0.251 1.5 t30 50.23 78.69 0.1 Allowed 'General case' 0 C--N 1.391 2.398 0 C-N-CA 128.157 2.583 . . . . 0.0 108.228 175.91 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 tp -160.52 170.25 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.388 2.247 0 C-N-CA 120.225 -0.59 . . . . 0.0 111.494 -175.981 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 59.2 mt -104.61 116.66 48.84 Favored 'Isoleucine or valine' 0 C--N 1.387 2.229 0 N-CA-C 105.333 -2.099 . . . . 0.0 105.333 172.385 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.511 HH11 ' HG2' ' A' ' 34' ' ' ARG . 3.3 ttp85 -161.16 110.66 1.64 Allowed 'General case' 0 C--N 1.383 2.023 0 N-CA-C 101.58 -3.489 . . . . 0.0 101.58 -171.987 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.401 HH22 ' C ' ' A' ' 59' ' ' LEU . 31.9 ptt85 -143.78 -172.47 3.75 Favored 'General case' 0 C--N 1.384 2.086 0 CA-C-N 114.4 -1.273 . . . . 0.0 113.397 -157.326 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 177.43 -167.72 38.97 Favored Glycine 0 C--N 1.39 3.569 0 C-N-CA 114.453 -3.737 . . . . 0.0 116.49 -171.533 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.1 p -90.98 124.13 34.99 Favored 'General case' 0 C--N 1.387 2.226 0 CA-C-O 122.59 1.186 . . . . 0.0 109.895 -178.645 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.1 -104.74 0.18 Allowed Glycine 0 C--N 1.392 3.655 0 N-CA-C 105.595 -3.002 . . . . 0.0 105.595 177.811 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.322 43.0 t 84.0 -49.55 0.12 Allowed 'General case' 0 C--N 1.39 2.345 0 O-C-N 121.768 -0.842 . . . . 0.0 111.132 177.002 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 . . . . . 0 C--N 1.384 2.095 0 N-CA-C 103.028 -2.953 . . . . 0.0 103.028 -172.558 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.4 ' HA2' ' HD2' ' A' ' 49' ' ' PRO . . . . . . . . 0 CA--C 1.56 2.883 0 N-CA-C 107.393 -2.283 . . . . 0.0 107.393 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.4 ' HD2' ' HA2' ' A' ' 48' ' ' GLY . 98.4 Cg_endo -58.35 163.08 10.87 Favored 'Trans proline' 0 C--N 1.388 2.647 0 C-N-CA 121.826 1.684 . . . . 0.0 110.135 172.051 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -75.22 148.01 39.86 Favored 'General case' 0 C--N 1.394 2.509 0 C-N-CA 117.569 -1.652 . . . . 0.0 108.421 178.418 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 17.7 m -118.64 157.59 27.11 Favored 'General case' 0 C--N 1.391 2.412 0 N-CA-C 116.252 1.945 . . . . 0.0 116.252 -167.295 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.4 t -145.5 161.84 38.8 Favored 'General case' 0 C--N 1.386 2.156 0 CA-C-N 113.704 -1.589 . . . . 0.0 110.5 172.478 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -137.52 36.26 2.46 Favored 'General case' 0 C--N 1.382 2.011 0 O-C-N 121.087 -1.008 . . . . 0.0 110.74 -179.213 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.4 t -123.05 157.1 33.5 Favored 'General case' 0 C--N 1.379 1.858 0 C-N-CA 126.515 1.926 . . . . 0.0 109.806 179.901 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.532 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 41.7 t0 -69.67 113.26 6.77 Favored 'General case' 0 C--N 1.389 2.301 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 -175.818 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.532 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.301 4.5 mptt 74.12 -44.26 0.56 Allowed 'General case' 0 C--N 1.397 2.667 0 C-N-CA 126.223 1.809 . . . . 0.0 110.152 -176.506 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.418 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 40.8 t 67.95 62.63 0.4 Allowed 'General case' 0 C--N 1.38 1.905 0 N-CA-C 104.787 -2.301 . . . . 0.0 104.787 177.9 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.2 m120 84.72 -66.72 0.05 OUTLIER 'General case' 0 C--N 1.391 2.382 0 C-N-CA 127.276 2.23 . . . . 0.0 107.219 179.643 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.409 ' OXT' ' NZ ' ' A' ' 24' ' ' LYS . 1.3 pt? . . . . . 0 CA--C 1.579 2.077 0 N-CA-C 102.927 -2.99 . . . . 0.0 102.927 177.868 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.491 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 23.1 mmt-85 . . . . . 0 N--CA 1.539 3.999 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.5 mt -124.81 127.96 72.97 Favored 'Isoleucine or valine' 0 C--N 1.383 2.055 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 174.289 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.6 m -132.94 178.94 6.49 Favored 'General case' 0 C--N 1.386 2.176 0 CA-C-O 121.433 0.635 . . . . 0.0 110.07 169.148 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -96.38 164.64 12.55 Favored 'General case' 0 C--N 1.378 1.841 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -174.776 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 34.3 p-10 -145.31 16.28 1.5 Allowed 'General case' 0 C--N 1.387 2.228 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.982 175.848 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.214 22.7 m-70 -70.08 -173.05 0.61 Allowed 'General case' 0 C--N 1.389 2.304 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -170.252 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.264 44.5 mt 73.5 179.47 0.22 Allowed 'General case' 0 C--N 1.391 2.373 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 175.699 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.52 -44.21 3.15 Favored Glycine 0 C--N 1.392 3.663 0 N-CA-C 115.402 0.921 . . . . 0.0 115.402 -176.402 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.6 m -161.89 -46.9 0.04 OUTLIER 'General case' 0 C--N 1.374 1.661 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 -176.363 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -101.04 142.74 25.22 Favored Pre-proline 0 C--N 1.39 2.332 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -171.42 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -58.64 166.5 6.37 Favored 'Trans proline' 0 C--N 1.402 3.382 0 C-N-CA 123.026 2.484 . . . . 0.0 114.29 170.367 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_exo -30.64 129.19 0.07 OUTLIER 'Trans proline' 0 C--N 1.398 3.147 1 C-N-CA 125.756 4.304 . . . . 0.0 115.946 -176.504 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.1 m -162.04 154.4 19.55 Favored 'General case' 0 C--N 1.39 2.365 0 N-CA-C 106.911 -1.515 . . . . 0.0 106.911 178.409 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.2 p -143.21 158.5 43.57 Favored 'General case' 0 C--N 1.382 2.015 0 C-N-CA 123.553 0.741 . . . . 0.0 111.853 -165.372 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -127.66 116.13 19.82 Favored 'General case' 0 C--N 1.387 2.231 0 CA-C-O 123.035 1.398 . . . . 0.0 110.708 -171.664 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.2 m -76.9 124.95 28.49 Favored 'General case' 0 C--N 1.39 2.361 0 N-CA-C 104.929 -2.248 . . . . 0.0 104.929 170.607 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.4 t -123.25 139.05 54.44 Favored 'General case' 0 C--N 1.385 2.13 0 CA-C-O 124.524 2.107 . . . . 0.0 110.361 -172.825 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.3 -22.0 15.79 Favored 'General case' 0 CA--C 1.569 1.701 0 C-N-CA 129.788 3.235 . . . . 0.0 110.034 174.315 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -81.31 108.27 14.8 Favored 'General case' 0 C--N 1.391 2.382 0 N-CA-C 102.401 -3.185 . . . . 0.0 102.401 171.179 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.148 66.0 m-20 -47.39 7.91 0.0 OUTLIER 'General case' 0 CA--C 1.584 2.276 1 C-N-CA 132.95 4.5 . . . . 0.0 118.6 -172.713 . . . . . . . . 4 3 . 1 . 033 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.1 t -149.91 131.35 14.74 Favored 'General case' 0 C--N 1.38 1.901 0 CA-C-N 122.186 2.267 . . . . 0.0 107.097 -178.495 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.3 p -136.4 144.11 44.33 Favored 'General case' 0 C--N 1.383 2.058 0 CA-C-O 123.288 1.518 . . . . 0.0 109.7 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -127.17 162.2 26.71 Favored 'General case' 0 C--N 1.386 2.161 0 N-CA-C 118.045 2.609 . . . . 0.0 118.045 -157.235 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.505 ' NZ ' ' OXT' ' A' ' 59' ' ' LEU . 65.7 mmtt -93.37 139.08 31.07 Favored 'General case' 0 C--N 1.398 2.677 0 CA-C-O 122.783 1.278 . . . . 0.0 107.716 166.407 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.568 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 2.6 t30 -136.03 122.86 21.21 Favored 'General case' 0 CA--C 1.575 1.938 0 N-CA-C 103.143 -2.91 . . . . 0.0 103.143 -179.359 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.29 -17.23 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.403 2.921 0 N-CA-C 117.996 2.591 . . . . 0.0 117.996 -151.428 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.568 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -81.76 -105.84 0.03 OUTLIER 'General case' 0 CA--C 1.589 2.448 1 C-N-CA 133.471 4.708 . . . . 0.0 106.694 179.219 . . . . . . . . 4 4 . 1 . 033 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 t 79.03 159.72 0.18 Allowed 'General case' 0 C--N 1.393 2.464 0 C-N-CA 125.13 1.372 . . . . 0.0 113.951 173.05 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -68.98 -39.07 79.62 Favored 'General case' 0 C--N 1.392 2.433 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.316 -179.92 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -77.36 -5.26 48.98 Favored 'General case' 0 CA--C 1.577 1.997 0 C-N-CA 127.773 2.429 . . . . 0.0 113.015 179.227 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 44.6 t30 65.34 74.1 0.39 Allowed 'General case' 0 C--N 1.397 2.66 0 CA-C-N 122.027 2.194 . . . . 0.0 106.779 173.746 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 tp -167.04 164.28 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.397 2.651 0 C-N-CA 118.06 -1.456 . . . . 0.0 113.422 -169.162 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.2 mp -100.98 100.78 11.04 Favored 'Isoleucine or valine' 0 C--N 1.39 2.365 0 N-CA-C 104.987 -2.227 . . . . 0.0 104.987 179.266 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.575 HH11 ' HG2' ' A' ' 34' ' ' ARG . 1.6 ttp85 -147.38 108.41 4.22 Favored 'General case' 0 C--N 1.386 2.179 0 N-CA-C 102.802 -3.036 . . . . 0.0 102.802 -171.145 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.467 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.7 OUTLIER -140.26 -170.09 2.9 Favored 'General case' 0 C--N 1.387 2.207 0 CA-C-N 112.732 -2.031 . . . . 0.0 114.261 -154.698 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 172.64 -164.04 36.14 Favored Glycine 1 C--N 1.4 4.099 1 C-N-CA 113.206 -4.331 . . . . 0.0 122.226 -175.094 . . . . . . . . 3 2 . 1 . 033 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.1 t -87.79 111.95 21.92 Favored 'General case' 0 C--N 1.39 2.337 0 C-N-CA 126.108 1.763 . . . . 0.0 108.853 -177.156 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.54 -93.45 0.09 OUTLIER Glycine 1 C--N 1.4 4.095 0 C-N-CA 116.12 -2.943 . . . . 0.0 107.29 173.758 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.362 43.0 t 82.0 -55.31 0.24 Allowed 'General case' 0 C--N 1.386 2.161 0 C-N-CA 124.963 1.305 . . . . 0.0 112.203 174.801 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 . . . . . 0 C--N 1.388 2.252 0 N-CA-C 107.008 -1.478 . . . . 0.0 107.008 -167.896 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 2.184 0 CA-C-O 122.113 0.841 . . . . 0.0 114.115 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -85.01 168.49 10.59 Favored 'Trans proline' 0 C--N 1.382 2.321 0 C-N-CA 122.821 2.347 . . . . 0.0 111.228 179.416 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -84.8 114.5 22.12 Favored 'General case' 0 CA--C 1.577 2.012 0 N-CA-C 101.742 -3.429 . . . . 0.0 101.742 177.077 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 17.7 m -112.33 156.81 21.83 Favored 'General case' 0 C--N 1.396 2.618 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 -165.916 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.5 t -129.88 159.31 36.99 Favored 'General case' 0 C--N 1.383 2.033 0 CA-C-N 113.322 -1.763 . . . . 0.0 110.418 176.442 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -128.23 46.08 2.65 Favored 'General case' 0 C--N 1.375 1.688 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.298 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.4 p -153.12 175.17 13.31 Favored 'General case' 0 C--N 1.385 2.133 0 CA-C-O 121.561 0.696 . . . . 0.0 111.395 179.172 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.463 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 16.1 t0 -74.08 109.84 7.9 Favored 'General case' 0 CA--C 1.582 2.209 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 -175.929 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.463 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 10.3 mptt 73.37 -53.09 0.7 Allowed 'General case' 0 C--N 1.395 2.586 0 C-N-CA 127.802 2.441 . . . . 0.0 114.304 173.337 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 56.43 51.95 10.68 Favored 'General case' 0 CA--C 1.581 2.163 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 -177.933 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.6 m120 63.79 79.21 0.26 Allowed 'General case' 0 C--N 1.392 2.451 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 177.344 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.505 ' OXT' ' NZ ' ' A' ' 24' ' ' LYS . 86.9 mt . . . . . 0 CA--C 1.599 2.859 0 C-N-CA 126.14 1.776 . . . . 0.0 112.692 170.51 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 1 N--CA 1.552 4.645 0 CA-C-O 117.888 -1.053 . . . . 0.0 108.91 . . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.402 HG12 ' HA ' ' A' ' 16' ' ' THR . 10.1 mt -93.95 144.11 10.26 Favored 'Isoleucine or valine' 0 C--N 1.397 2.67 0 CA-C-N 120.655 1.57 . . . . 0.0 110.773 -179.001 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.2 m -147.96 166.43 27.71 Favored 'General case' 0 C--N 1.388 2.28 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.907 167.607 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -75.14 165.95 24.41 Favored 'General case' 0 C--N 1.387 2.198 0 CA-C-O 122.035 0.921 . . . . 0.0 112.277 177.135 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -161.71 50.43 0.22 Allowed 'General case' 0 C--N 1.382 2.006 0 N-CA-C 104.219 -2.512 . . . . 0.0 104.219 168.504 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.51 ' C ' HD12 ' A' ' 7' ' ' LEU 2.194 4.4 m170 -89.46 -147.03 0.17 Allowed 'General case' 0 C--N 1.387 2.196 0 C-N-CA 124.972 1.309 . . . . 0.0 108.76 177.048 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.51 HD12 ' C ' ' A' ' 6' ' ' HIS 0.282 0.3 OUTLIER 62.66 -175.12 0.15 Allowed 'General case' 0 C--N 1.386 2.179 0 CA-C-O 122.359 1.076 . . . . 0.0 113.785 170.21 . . . . . . . . 4 4 . 1 . 034 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.51 -55.43 4.47 Favored Glycine 0 C--N 1.388 3.445 0 N-CA-C 109.516 -1.433 . . . . 0.0 109.516 -171.41 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.3 m -163.05 -43.79 0.03 OUTLIER 'General case' 0 C--N 1.378 1.83 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 -177.609 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.2 mmtt -107.16 129.6 24.09 Favored Pre-proline 0 C--N 1.388 2.271 0 C-N-CA 123.076 0.551 . . . . 0.0 111.22 -173.915 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -97.16 5.14 1.56 Allowed 'Trans proline' 0 CA--C 1.6 3.789 0 N-CA-C 119.883 2.993 . . . . 0.0 119.883 -176.366 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -91.8 -19.96 0.72 Allowed 'Trans proline' 0 C--N 1.406 3.557 1 N-CA-C 124.21 4.658 . . . . 0.0 124.21 -175.148 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.1 p -89.85 141.9 28.2 Favored 'General case' 0 C--N 1.392 2.423 0 CA-C-N 123.539 2.881 . . . . 0.0 116.197 -172.402 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.8 p -130.59 140.24 50.44 Favored 'General case' 0 C--N 1.38 1.904 0 CA-C-N 113.088 -1.869 . . . . 0.0 106.42 173.318 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -103.93 118.08 35.84 Favored 'General case' 0 C--N 1.381 1.943 0 CA-C-O 121.309 0.576 . . . . 0.0 109.747 -172.027 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.402 ' HA ' HG12 ' A' ' 2' ' ' ILE . 54.5 m -84.97 109.42 18.16 Favored 'General case' 0 C--N 1.388 2.273 0 N-CA-C 103.068 -2.938 . . . . 0.0 103.068 173.237 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.3 t -114.5 150.5 34.76 Favored 'General case' 0 C--N 1.394 2.539 0 CA-C-O 123.494 1.616 . . . . 0.0 113.364 -168.168 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -81.25 -3.36 52.17 Favored 'General case' 0 C--N 1.382 1.983 0 CA-C-N 112.995 -1.912 . . . . 0.0 112.595 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -100.47 137.16 39.26 Favored 'General case' 0 C--N 1.388 2.26 0 CA-C-O 123.917 1.817 . . . . 0.0 109.281 -178.313 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.145 24.0 m-20 -45.38 -44.19 11.69 Favored 'General case' 0 C--N 1.38 1.899 0 C-N-CA 128.332 2.653 . . . . 0.0 111.048 -176.052 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.7 t -129.08 147.47 50.94 Favored 'General case' 0 C--N 1.391 2.377 0 CA-C-O 123.611 1.672 . . . . 0.0 113.018 -174.738 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.266 26.1 p -136.08 155.84 49.6 Favored 'General case' 0 C--N 1.388 2.275 0 CA-C-N 114.409 -1.268 . . . . 0.0 112.81 179.81 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -132.67 155.79 48.14 Favored 'General case' 0 C--N 1.391 2.405 0 N-CA-C 116.693 2.109 . . . . 0.0 116.693 -159.078 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.21 124.33 45.51 Favored 'General case' 0 C--N 1.394 2.508 0 CA-C-N 113.619 -1.628 . . . . 0.0 108.394 178.241 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.551 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 20.3 t-20 -118.98 115.45 24.37 Favored 'General case' 0 CA--C 1.591 2.522 0 N-CA-C 102.555 -3.128 . . . . 0.0 102.555 -178.69 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -119.63 -26.49 2.39 Favored 'Isoleucine or valine' 0 C--N 1.402 2.876 0 N-CA-C 117.843 2.534 . . . . 0.0 117.843 -155.666 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.582 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -63.16 -104.6 0.0 OUTLIER 'General case' 0 CA--C 1.599 2.837 1 C-N-CA 132.226 4.211 . . . . 0.0 106.866 168.221 . . . . . . . . 4 4 . 1 . 034 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.4 t 76.54 158.55 0.2 Allowed 'General case' 0 C--N 1.393 2.479 0 C-N-CA 126.31 1.844 . . . . 0.0 111.103 178.629 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -62.86 -44.12 96.97 Favored 'General case' 0 C--N 1.388 2.252 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.035 173.582 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -73.93 -2.06 22.37 Favored 'General case' 0 CA--C 1.581 2.172 0 CA-C-O 116.152 -1.88 . . . . 0.0 114.357 -178.385 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.0 t30 61.86 71.23 0.55 Allowed 'General case' 0 C--N 1.397 2.66 0 CA-C-N 124.014 3.097 . . . . 0.0 105.772 177.009 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.1 tp -166.92 158.08 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.391 2.373 0 C-N-CA 117.584 -1.646 . . . . 0.0 111.786 -173.129 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 52.0 mt -92.63 90.94 3.21 Favored 'Isoleucine or valine' 0 C--N 1.388 2.254 0 N-CA-C 103.644 -2.724 . . . . 0.0 103.644 176.902 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.472 ' HG3' HH11 ' A' ' 34' ' ' ARG . 0.0 OUTLIER -141.44 124.86 16.61 Favored 'General case' 0 C--N 1.384 2.07 0 N-CA-C 102.657 -3.09 . . . . 0.0 102.657 -176.11 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.416 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -161.29 -164.8 1.2 Allowed 'General case' 0 C--N 1.391 2.393 0 CA-C-N 112.886 -1.961 . . . . 0.0 112.442 -149.4 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -166.37 -167.16 26.61 Favored Glycine 0 C--N 1.391 3.601 1 C-N-CA 112.437 -4.697 . . . . 0.0 119.194 -170.251 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.1 t -102.72 116.73 33.15 Favored 'General case' 0 C--N 1.379 1.885 0 CA-C-N 112.06 -2.07 . . . . 0.0 108.746 -173.947 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.79 -81.9 0.05 OUTLIER Glycine 0 C--N 1.397 3.937 0 C-N-CA 115.698 -3.144 . . . . 0.0 106.36 178.326 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.37 41.9 t 82.36 -53.85 0.22 Allowed 'General case' 0 C--N 1.384 2.069 0 CA-C-N 113.275 -1.462 . . . . 0.0 108.934 -178.949 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 . . . . . 0 C--N 1.38 1.908 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 -168.714 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.559 2.805 0 N-CA-C 114.666 0.627 . . . . 0.0 114.666 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.451 ' HG3' HD21 ' A' ' 25' ' ' ASN . 0.6 OUTLIER -62.19 169.84 7.22 Favored 'Trans proline' 0 C--N 1.392 2.83 0 C-N-CA 122.545 2.163 . . . . 0.0 115.331 174.451 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -103.61 137.16 42.06 Favored 'General case' 0 C--N 1.384 2.102 0 CA-C-N 114.443 -1.253 . . . . 0.0 109.298 179.935 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.2 m -119.36 157.14 28.76 Favored 'General case' 0 C--N 1.395 2.573 0 N-CA-C 117.849 2.537 . . . . 0.0 117.849 -165.065 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.8 t -128.11 151.12 49.59 Favored 'General case' 0 C--N 1.384 2.07 0 CA-C-N 113.139 -1.846 . . . . 0.0 108.189 170.692 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.17 34.49 5.2 Favored 'General case' 0 C--N 1.379 1.866 0 O-C-N 120.753 -1.217 . . . . 0.0 111.407 -176.393 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.2 t -137.7 -178.05 5.07 Favored 'General case' 0 C--N 1.38 1.901 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.277 178.17 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.64 102.46 8.94 Favored 'General case' 0 C--N 1.382 1.989 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 -169.416 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? 73.52 -54.98 0.68 Allowed 'General case' 0 C--N 1.394 2.502 0 C-N-CA 126.396 1.878 . . . . 0.0 110.971 -179.588 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.25 75.1 m 78.55 -50.44 0.47 Allowed 'General case' 0 C--N 1.381 1.956 0 C-N-CA 129.043 2.937 . . . . 0.0 108.111 -176.032 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -164.2 -82.22 0.03 OUTLIER 'General case' 0 C--N 1.387 2.198 0 N-CA-C 104.282 -2.488 . . . . 0.0 104.282 176.571 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.1 tp . . . . . 0 CA--C 1.575 1.908 1 N-CA-C 98.95 -4.463 . . . . 0.0 98.95 177.284 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.529 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.536 3.854 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 . . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 27.9 mt -87.02 119.58 35.03 Favored 'Isoleucine or valine' 0 C--N 1.395 2.544 0 CA-C-O 122.253 1.025 . . . . 0.0 109.696 -169.226 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.5 m -138.96 136.8 35.8 Favored 'General case' 0 C--N 1.388 2.249 0 N-CA-C 106.4 -1.704 . . . . 0.0 106.4 175.837 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -76.67 159.57 30.11 Favored 'General case' 0 C--N 1.389 2.322 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -163.099 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 51.1 p-10 -147.18 37.3 0.94 Allowed 'General case' 0 C--N 1.393 2.465 0 C-N-CA 118.704 -1.199 . . . . 0.0 109.53 179.786 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.221 6.8 m170 -78.42 -143.69 0.03 OUTLIER 'General case' 0 CA--C 1.585 2.321 0 C-N-CA 125.03 1.332 . . . . 0.0 109.758 -179.329 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.323 5.4 mp 68.17 179.96 0.23 Allowed 'General case' 0 C--N 1.393 2.499 0 O-C-N 120.321 -1.487 . . . . 0.0 113.902 173.192 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.97 -63.94 3.97 Favored Glycine 0 C--N 1.39 3.552 0 N-CA-C 108.741 -1.744 . . . . 0.0 108.741 -169.705 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.6 m -161.43 -45.88 0.04 OUTLIER 'General case' 0 C--N 1.379 1.874 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 -179.58 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -96.03 124.91 50.35 Favored Pre-proline 0 C--N 1.385 2.116 0 CA-C-O 118.555 -0.736 . . . . 0.0 109.046 -177.336 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -101.86 -4.13 0.36 Allowed 'Trans proline' 0 C--N 1.409 3.745 0 CA-C-O 114.922 -2.199 . . . . 0.0 117.502 -179.271 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -73.86 -17.82 22.35 Favored 'Trans proline' 0 C--N 1.401 3.293 1 N-CA-C 123.767 4.487 . . . . 0.0 123.767 -176.619 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.1 p -97.9 154.48 17.62 Favored 'General case' 0 C--N 1.394 2.508 0 CA-C-N 124.691 3.405 . . . . 0.0 115.64 -174.206 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.9 p -135.16 148.59 49.76 Favored 'General case' 0 C--N 1.376 1.73 0 CA-C-N 111.728 -2.487 . . . . 0.0 109.319 -179.536 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -102.27 103.2 13.67 Favored 'General case' 0 C--N 1.38 1.929 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 -170.542 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 36.8 m -86.89 105.62 17.19 Favored 'General case' 0 C--N 1.388 2.254 0 N-CA-C 102.979 -2.971 . . . . 0.0 102.979 179.574 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.3 t -115.32 154.87 28.35 Favored 'General case' 0 C--N 1.396 2.614 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -164.287 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -95.67 -29.89 14.06 Favored 'General case' 0 C--N 1.382 1.98 0 CA-C-N 112.873 -1.967 . . . . 0.0 111.247 177.118 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -74.67 111.57 10.0 Favored 'General case' 0 CA--C 1.583 2.232 0 N-CA-C 103.694 -2.706 . . . . 0.0 103.694 175.353 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.092 76.8 m-20 -54.43 -8.58 0.23 Allowed 'General case' 0 C--N 1.389 2.314 0 C-N-CA 128.289 2.635 . . . . 0.0 116.658 -174.919 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.8 t -118.36 133.48 55.84 Favored 'General case' 0 C--N 1.381 1.941 0 CA-C-N 120.401 1.455 . . . . 0.0 107.929 -179.451 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.8 p -133.55 146.66 51.24 Favored 'General case' 0 C--N 1.381 1.949 0 CA-C-O 123.775 1.75 . . . . 0.0 109.886 178.373 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -130.77 143.85 51.03 Favored 'General case' 0 C--N 1.385 2.145 0 CA-C-N 113.058 -1.883 . . . . 0.0 114.805 -155.933 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.35 116.98 29.45 Favored 'General case' 0 C--N 1.388 2.275 0 N-CA-C 105.812 -1.921 . . . . 0.0 105.812 178.318 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.585 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 5.5 t30 -119.81 123.24 43.2 Favored 'General case' 0 CA--C 1.587 2.384 0 N-CA-C 104.637 -2.357 . . . . 0.0 104.637 -178.309 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 pp -132.96 4.53 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.402 2.848 0 N-CA-C 118.233 2.679 . . . . 0.0 118.233 -148.165 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.585 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -112.84 -104.18 0.4 Allowed 'General case' 0 CA--C 1.576 1.967 1 C-N-CA 132.74 4.416 . . . . 0.0 103.818 -172.61 . . . . . . . . 4 4 . 1 . 035 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.7 t 73.15 161.48 0.25 Allowed 'General case' 0 C--N 1.39 2.362 0 CA-C-O 122.074 0.94 . . . . 0.0 110.589 179.888 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -62.06 -28.5 69.64 Favored 'General case' 0 C--N 1.387 2.197 0 O-C-N 121.607 -0.683 . . . . 0.0 111.727 178.727 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -93.59 10.63 31.84 Favored 'General case' 0 CA--C 1.578 2.046 0 C-N-CA 127.826 2.45 . . . . 0.0 114.226 -176.047 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.5 t30 49.35 64.95 1.54 Allowed 'General case' 0 C--N 1.394 2.526 0 CA-C-N 121.666 2.03 . . . . 0.0 106.266 176.377 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 tp -146.81 171.78 3.48 Favored 'Isoleucine or valine' 0 C--N 1.386 2.159 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.739 -169.076 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . 0.252 16.8 mt -111.08 98.43 7.04 Favored 'Isoleucine or valine' 0 C--N 1.389 2.297 0 N-CA-C 105.465 -2.05 . . . . 0.0 105.465 174.713 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.76 108.44 4.67 Favored 'General case' 0 C--N 1.381 1.956 0 N-CA-C 100.611 -3.848 . . . . 0.0 100.611 -174.951 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -141.51 -175.84 4.51 Favored 'General case' 0 C--N 1.374 1.66 0 CA-C-N 109.548 -3.478 . . . . 0.0 111.727 -153.704 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -161.5 -159.19 9.9 Favored Glycine 0 C--N 1.391 3.589 0 C-N-CA 113.965 -3.969 . . . . 0.0 117.147 -168.661 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.8 t -130.41 117.95 20.47 Favored 'General case' 0 CA--C 1.575 1.929 0 CA-C-O 123.075 1.417 . . . . 0.0 109.156 -179.885 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.33 -79.96 0.05 OUTLIER Glycine 0 C--N 1.388 3.442 1 N-CA-C 102.025 -4.43 . . . . 0.0 102.025 175.058 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.482 42.0 t 65.55 -149.79 0.24 Allowed 'General case' 0 C--N 1.389 2.286 0 N-CA-C 116.374 1.991 . . . . 0.0 116.374 167.834 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 . . . . . 0 C--N 1.389 2.283 0 CA-C-N 113.553 -1.658 . . . . 0.0 106.525 -178.918 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.559 2.841 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -55.46 161.33 7.58 Favored 'Trans proline' 0 C--N 1.393 2.899 0 N-CA-C 108.155 -1.517 . . . . 0.0 108.155 165.922 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -91.77 115.47 28.08 Favored 'General case' 0 C--N 1.379 1.887 0 N-CA-C 104.623 -2.362 . . . . 0.0 104.623 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.7 m -118.06 118.97 33.36 Favored 'General case' 0 C--N 1.392 2.429 0 CA-C-O 123.3 1.524 . . . . 0.0 109.553 -166.936 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 36.3 t -97.1 174.98 6.47 Favored 'General case' 0 C--N 1.379 1.89 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.214 173.498 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.27 42.52 2.73 Favored 'General case' 0 C--N 1.385 2.142 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -169.757 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.1 t -172.73 106.35 0.16 Allowed 'General case' 0 C--N 1.388 2.244 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 174.543 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.51 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 8.1 t0 64.84 -167.54 0.22 Allowed 'General case' 0 C--N 1.389 2.294 0 CA-C-O 122.655 1.217 . . . . 0.0 110.595 179.276 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.51 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.271 0.0 OUTLIER -55.62 -40.84 72.65 Favored 'General case' 0 C--N 1.385 2.149 0 CA-C-O 116.316 -1.802 . . . . 0.0 111.941 -177.82 . . . . . . . . 4 4 . 1 . 035 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 52.4 t 45.48 67.73 0.68 Allowed 'General case' 0 C--N 1.384 2.084 0 CA-C-N 121.084 1.766 . . . . 0.0 107.49 174.759 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.9 m120 86.45 65.92 0.01 OUTLIER 'General case' 0 C--N 1.392 2.435 0 C-N-CA 125.439 1.496 . . . . 0.0 110.245 169.116 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.6 tp . . . . . 0 CA--C 1.587 2.388 0 C-N-CA 126.104 1.762 . . . . 0.0 107.74 175.759 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.448 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.531 3.614 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 . . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.5 mp -83.85 118.11 30.67 Favored 'Isoleucine or valine' 0 C--N 1.392 2.446 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -176.336 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.2 p -143.13 148.09 36.03 Favored 'General case' 0 C--N 1.384 2.072 0 CA-C-O 122.799 1.285 . . . . 0.0 109.166 168.514 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.9 m-30 -87.43 177.59 7.06 Favored 'General case' 0 C--N 1.389 2.317 0 N-CA-C 115.804 1.779 . . . . 0.0 115.804 -160.506 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 35.4 p-10 -149.08 44.97 0.99 Allowed 'General case' 0 C--N 1.387 2.233 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 172.784 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.184 12.1 m170 -81.29 -162.51 0.51 Allowed 'General case' 0 C--N 1.389 2.308 0 C-N-CA 127.795 2.438 . . . . 0.0 114.514 -175.911 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.352 3.1 mp 69.59 -171.28 0.17 Allowed 'General case' 0 C--N 1.388 2.256 0 C-N-CA 124.979 1.312 . . . . 0.0 113.284 174.927 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.89 -53.47 4.25 Favored Glycine 0 C--N 1.386 3.312 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 -170.575 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.0 m -169.75 -49.16 0.02 OUTLIER 'General case' 0 C--N 1.382 1.982 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 -171.768 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -100.26 130.52 25.76 Favored Pre-proline 0 CA--C 1.579 2.077 0 CA-C-O 118.476 -0.773 . . . . 0.0 110.18 -177.018 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -97.65 -9.39 0.65 Allowed 'Trans proline' 0 C--N 1.412 3.918 0 N-CA-C 118.438 2.438 . . . . 0.0 118.438 -179.359 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -86.67 -16.82 3.56 Favored 'Trans proline' 0 C--N 1.401 3.34 1 N-CA-C 125.015 4.967 . . . . 0.0 125.015 -174.442 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.7 p -79.42 150.43 31.31 Favored 'General case' 0 C--N 1.395 2.55 0 CA-C-N 124.895 3.498 . . . . 0.0 114.913 -173.181 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 61.2 p -142.27 159.23 42.64 Favored 'General case' 0 C--N 1.383 2.04 0 CA-C-N 111.552 -2.567 . . . . 0.0 111.298 -170.47 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -129.42 103.31 6.83 Favored 'General case' 0 C--N 1.386 2.162 0 CA-C-O 123.031 1.396 . . . . 0.0 107.353 -176.102 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 79.2 m -76.43 106.29 7.98 Favored 'General case' 0 C--N 1.392 2.445 0 N-CA-C 102.208 -3.256 . . . . 0.0 102.208 173.481 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.8 t -116.23 153.32 32.08 Favored 'General case' 0 C--N 1.385 2.144 0 O-C-N 121.493 -0.754 . . . . 0.0 111.65 -169.651 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -105.46 26.5 9.38 Favored 'General case' 0 C--N 1.383 2.035 0 C-N-CA 124.47 1.108 . . . . 0.0 111.048 176.338 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.434 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 45.7 mt-10 -110.75 114.92 28.66 Favored 'General case' 0 C--N 1.383 2.023 0 N-CA-C 101.296 -3.594 . . . . 0.0 101.296 171.259 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.448 ' OD2' ' N ' ' A' ' 1' ' ' ARG 2.175 72.6 m-20 -57.32 1.3 0.04 OUTLIER 'General case' 0 CA--C 1.584 2.281 0 N-CA-C 116.645 2.091 . . . . 0.0 116.645 -171.453 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.2 m -151.54 155.95 39.53 Favored 'General case' 0 C--N 1.381 1.969 0 CA-C-N 121.094 1.77 . . . . 0.0 108.955 -178.734 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.8 p -149.09 153.29 37.57 Favored 'General case' 0 C--N 1.382 2.018 0 C-N-CA 117.611 -1.636 . . . . 0.0 112.526 -177.569 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -112.67 144.07 42.81 Favored 'General case' 0 C--N 1.384 2.078 0 CA-C-O 123.33 1.538 . . . . 0.0 112.612 -162.179 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.424 ' NZ ' ' O ' ' A' ' 59' ' ' LEU . 14.8 mtpp -100.42 115.69 30.63 Favored 'General case' 0 C--N 1.383 2.046 0 N-CA-C 104.484 -2.413 . . . . 0.0 104.484 177.141 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.551 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 22.5 t-20 -115.34 123.98 50.11 Favored 'General case' 0 CA--C 1.578 2.039 0 N-CA-C 102.445 -3.169 . . . . 0.0 102.445 -176.291 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -135.43 -6.33 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.405 3.003 0 N-CA-C 117.94 2.57 . . . . 0.0 117.94 -147.064 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.551 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -87.89 -105.46 0.07 Allowed 'General case' 0 CA--C 1.578 2.032 1 C-N-CA 131.991 4.116 . . . . 0.0 106.237 -177.793 . . . . . . . . 4 4 . 1 . 036 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.0 t 75.18 160.42 0.23 Allowed 'General case' 0 C--N 1.391 2.385 0 C-N-CA 123.952 0.901 . . . . 0.0 111.627 178.874 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -67.13 -35.93 80.8 Favored 'General case' 0 C--N 1.389 2.313 0 O-C-N 121.437 -0.789 . . . . 0.0 112.168 -179.247 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -83.02 -9.53 59.22 Favored 'General case' 0 CA--C 1.568 1.658 0 C-N-CA 129.093 2.957 . . . . 0.0 113.002 -179.072 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 69.97 79.47 0.19 Allowed 'General case' 0 C--N 1.393 2.491 0 CA-C-N 122.28 2.309 . . . . 0.0 105.409 179.259 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 tp -159.35 157.23 3.21 Favored 'Isoleucine or valine' 0 C--N 1.391 2.396 0 C-N-CA 118.308 -1.357 . . . . 0.0 112.138 -173.492 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.2 mt -92.79 112.22 25.77 Favored 'Isoleucine or valine' 0 C--N 1.389 2.285 0 N-CA-C 104.372 -2.455 . . . . 0.0 104.372 170.741 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.61 115.49 3.98 Favored 'General case' 0 C--N 1.382 1.993 0 N-CA-C 100.848 -3.76 . . . . 0.0 100.848 -177.46 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.2 -168.48 2.63 Favored 'General case' 0 C--N 1.388 2.282 0 CA-C-N 113.565 -1.652 . . . . 0.0 113.304 -153.772 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -165.75 -171.25 31.72 Favored Glycine 0 C--N 1.394 3.795 1 C-N-CA 113.417 -4.23 . . . . 0.0 119.335 -176.507 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.434 ' SG ' ' HB2' ' A' ' 19' ' ' GLU . 50.9 t -83.92 116.53 22.83 Favored 'General case' 0 C--N 1.384 2.102 0 CA-C-N 113.241 -1.479 . . . . 0.0 108.649 -174.872 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.25 -95.73 0.1 Allowed Glycine 1 C--N 1.4 4.136 0 C-N-CA 116.832 -2.604 . . . . 0.0 106.865 179.874 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.376 42.7 t 83.61 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.386 2.181 0 CA-C-O 122.236 1.017 . . . . 0.0 109.019 178.448 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 CA--C 1.587 2.399 0 N-CA-C 103.186 -2.894 . . . . 0.0 103.186 179.382 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 2.61 0 CA-C-O 121.996 0.775 . . . . 0.0 114.04 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -50.04 146.41 17.31 Favored 'Trans proline' 0 C--N 1.39 2.763 0 N-CA-C 107.223 -1.876 . . . . 0.0 107.223 167.69 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -75.78 155.09 35.81 Favored 'General case' 0 C--N 1.393 2.457 0 CA-C-N 114.52 -1.218 . . . . 0.0 111.353 -178.186 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 2.8 m -118.76 161.57 19.91 Favored 'General case' 0 C--N 1.389 2.289 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 -166.606 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.8 t -141.9 140.17 32.77 Favored 'General case' 0 C--N 1.379 1.886 0 CA-C-N 112.283 -2.235 . . . . 0.0 107.537 174.686 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -130.26 64.11 1.54 Allowed 'General case' 0 C--N 1.375 1.713 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 -176.654 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.0 m -160.0 76.12 0.62 Allowed 'General case' 0 C--N 1.386 2.169 0 N-CA-C 104.901 -2.259 . . . . 0.0 104.901 -175.969 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.526 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 21.9 t0 58.38 -148.74 0.47 Allowed 'General case' 0 CA--C 1.589 2.444 0 CA-C-O 123.697 1.713 . . . . 0.0 107.926 177.874 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.526 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -60.46 -30.32 69.59 Favored 'General case' 0 C--N 1.382 1.989 0 CA-C-N 114.263 -1.335 . . . . 0.0 111.61 179.876 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.4 t 51.37 59.29 4.7 Favored 'General case' 0 C--N 1.387 2.221 0 CA-C-N 121.08 1.764 . . . . 0.0 107.26 177.479 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.6 m120 52.17 71.21 0.48 Allowed 'General case' 0 C--N 1.388 2.247 0 C-N-CA 127.325 2.25 . . . . 0.0 108.785 170.802 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.424 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 18.3 mt . . . . . 0 CA--C 1.587 2.368 0 C-N-CA 129.527 3.131 . . . . 0.0 108.173 173.96 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.467 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 1 N--CA 1.543 4.203 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 . . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -92.55 131.04 40.72 Favored 'Isoleucine or valine' 0 C--N 1.39 2.335 0 CA-C-N 119.379 0.99 . . . . 0.0 109.851 -174.579 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.0 m -136.9 158.17 45.07 Favored 'General case' 0 C--N 1.392 2.421 0 CA-C-O 121.858 0.837 . . . . 0.0 109.121 164.29 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -80.08 161.88 25.1 Favored 'General case' 0 C--N 1.382 2.021 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 -171.176 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -144.74 58.68 1.31 Allowed 'General case' 0 C--N 1.389 2.297 0 N-CA-C 103.215 -2.883 . . . . 0.0 103.215 164.129 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.145 14.5 m170 -108.87 -170.95 1.75 Allowed 'General case' 0 C--N 1.386 2.19 0 C-N-CA 128.458 2.703 . . . . 0.0 113.276 -174.789 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.284 14.9 mt 72.2 -166.62 0.13 Allowed 'General case' 0 C--N 1.38 1.907 0 CA-C-O 123.009 1.385 . . . . 0.0 113.123 174.129 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.33 46.4 93.0 Favored Glycine 0 C--N 1.38 2.983 0 N-CA-C 109.154 -1.578 . . . . 0.0 109.154 -171.978 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.7 m 109.56 -40.33 0.01 OUTLIER 'General case' 0 C--N 1.39 2.344 1 C-N-CA 131.872 4.069 . . . . 0.0 110.835 173.871 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -121.3 127.15 26.27 Favored Pre-proline 0 CA--C 1.584 2.272 0 CA-C-N 118.746 0.703 . . . . 0.0 112.249 -170.911 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -96.8 1.06 1.82 Allowed 'Trans proline' 0 C--N 1.407 3.612 0 N-CA-C 118.811 2.581 . . . . 0.0 118.811 -179.385 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -73.37 -17.62 23.85 Favored 'Trans proline' 0 C--N 1.403 3.437 1 N-CA-C 124.513 4.774 . . . . 0.0 124.513 -175.455 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.5 p -100.18 147.46 25.68 Favored 'General case' 0 C--N 1.396 2.605 0 CA-C-N 125.585 3.811 . . . . 0.0 116.136 -176.689 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 41.2 p -138.37 152.15 48.16 Favored 'General case' 0 C--N 1.383 2.032 0 CA-C-N 112.111 -2.313 . . . . 0.0 110.251 176.336 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -109.56 93.88 4.74 Favored 'General case' 0 C--N 1.381 1.94 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 -176.51 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.2 m -68.58 114.41 6.95 Favored 'General case' 0 C--N 1.398 2.682 0 N-CA-C 102.786 -3.042 . . . . 0.0 102.786 169.936 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -118.9 150.79 39.29 Favored 'General case' 0 C--N 1.394 2.542 0 CA-C-O 123.723 1.725 . . . . 0.0 114.884 -166.03 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -94.5 -11.05 30.4 Favored 'General case' 0 CA--C 1.578 2.032 0 CA-C-N 111.757 -2.474 . . . . 0.0 110.997 176.596 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -94.5 127.47 40.44 Favored 'General case' 0 C--N 1.397 2.634 0 N-CA-C 106.292 -1.744 . . . . 0.0 106.292 174.84 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.467 ' OD2' ' N ' ' A' ' 1' ' ' ARG 2.15 73.4 m-20 -62.5 -6.22 3.22 Favored 'General case' 0 C--N 1.389 2.295 0 C-N-CA 129.431 3.092 . . . . 0.0 118.332 -169.712 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.4 m -150.44 152.15 33.85 Favored 'General case' 0 C--N 1.375 1.697 0 CA-C-O 123.258 1.504 . . . . 0.0 108.126 -178.157 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.0 p -136.2 154.24 51.0 Favored 'General case' 0 C--N 1.378 1.81 0 CA-C-N 113.671 -1.604 . . . . 0.0 112.218 -178.057 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -114.13 122.02 45.57 Favored 'General case' 0 C--N 1.38 1.918 0 CA-C-N 113.682 -1.599 . . . . 0.0 108.895 -167.2 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -80.79 128.04 33.2 Favored 'General case' 0 C--N 1.397 2.67 0 CA-C-O 124.481 2.086 . . . . 0.0 105.844 172.987 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.454 ' HA ' ' HE1' ' A' ' 27' ' ' TRP . 51.2 t30 -115.89 102.63 9.85 Favored 'General case' 0 CA--C 1.574 1.889 1 N-CA-C 97.193 -5.114 . . . . 0.0 97.193 -179.149 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -111.63 21.75 5.62 Favored 'Isoleucine or valine' 0 C--N 1.388 2.252 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 -159.188 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.503 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -140.7 -88.48 0.17 Allowed 'General case' 0 CA--C 1.568 1.664 0 C-N-CA 131.416 3.886 . . . . 0.0 102.996 -167.678 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.274 11.4 t 79.35 -100.24 0.02 OUTLIER 'General case' 0 C--N 1.387 2.216 0 C-N-CA 126.902 2.081 . . . . 0.0 106.313 173.134 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -153.77 48.59 0.65 Allowed 'General case' 0 C--N 1.393 2.471 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 172.637 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -172.41 -34.07 0.01 OUTLIER 'General case' 0 C--N 1.394 2.534 0 C-N-CA 118.105 -1.438 . . . . 0.0 112.157 -167.007 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 93.59 70.25 0.0 OUTLIER 'General case' 0 C--N 1.386 2.162 0 C-N-CA 127.306 2.243 . . . . 0.0 105.066 -178.438 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 tp -155.56 161.25 2.1 Favored 'Isoleucine or valine' 0 C--N 1.388 2.261 0 C-N-CA 120.356 -0.538 . . . . 0.0 111.18 -173.382 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 25.6 mm -89.23 102.94 13.54 Favored 'Isoleucine or valine' 0 C--N 1.393 2.491 0 N-CA-C 105.375 -2.083 . . . . 0.0 105.375 171.122 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.02 112.9 5.74 Favored 'General case' 0 C--N 1.385 2.117 0 N-CA-C 102.578 -3.119 . . . . 0.0 102.578 178.835 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.36 -175.41 5.2 Favored 'General case' 0 C--N 1.398 2.711 0 C-N-CA 116.766 -1.973 . . . . 0.0 116.25 -154.594 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -124.79 167.2 17.18 Favored Glycine 1 C--N 1.399 4.037 0 N-CA-C 118.679 2.232 . . . . 0.0 118.679 -168.448 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.2 t -110.32 110.6 21.46 Favored 'General case' 0 C--N 1.386 2.178 0 N-CA-C 105.962 -1.866 . . . . 0.0 105.962 176.729 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.56 -72.5 0.03 OUTLIER Glycine 0 C--N 1.392 3.684 0 N-CA-C 105.049 -3.22 . . . . 0.0 105.049 178.201 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.531 ' SG ' ' N ' ' A' ' 40' ' ' PHE 2.394 43.0 t 77.15 -166.35 0.05 Allowed 'General case' 0 C--N 1.387 2.203 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 173.821 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.531 ' N ' ' SG ' ' A' ' 39' ' ' CYS . 9.0 m-85 . . . . . 0 C--N 1.38 1.915 0 CA-C-N 112.822 -1.99 . . . . 0.0 109.307 174.184 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.557 2.683 0 N-CA-C 114.532 0.573 . . . . 0.0 114.532 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -53.02 141.33 57.38 Favored 'Trans proline' 0 C--N 1.402 3.392 0 N-CA-C 104.183 -3.045 . . . . 0.0 104.183 166.27 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -76.97 154.27 33.73 Favored 'General case' 0 C--N 1.385 2.115 0 CA-C-N 114.237 -1.347 . . . . 0.0 111.921 -177.45 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 40.0 m -125.38 142.51 51.46 Favored 'General case' 0 C--N 1.388 2.279 0 CA-C-O 124.172 1.939 . . . . 0.0 114.01 -171.155 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 42.0 t -120.06 161.01 21.68 Favored 'General case' 0 C--N 1.378 1.831 0 CA-C-N 112.54 -2.118 . . . . 0.0 110.197 176.661 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -138.06 55.07 1.78 Allowed 'General case' 0 C--N 1.378 1.805 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.229 -176.237 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 65.4 p -139.8 172.12 13.23 Favored 'General case' 0 C--N 1.384 2.098 0 C-N-CA 122.914 0.486 . . . . 0.0 111.224 176.053 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.456 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 30.3 t0 -68.93 124.41 23.65 Favored 'General case' 0 C--N 1.394 2.502 0 N-CA-C 105.686 -1.968 . . . . 0.0 105.686 174.816 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.456 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 38.9 mmtm 76.09 -63.67 0.38 Allowed 'General case' 0 C--N 1.39 2.336 0 C-N-CA 126.468 1.907 . . . . 0.0 112.833 172.328 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 56.6 m 79.42 27.22 0.38 Allowed 'General case' 0 CA--C 1.581 2.139 0 C-N-CA 126.688 1.995 . . . . 0.0 110.813 -174.217 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.8 t30 62.83 75.97 0.38 Allowed 'General case' 0 C--N 1.392 2.452 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 176.369 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 CA--C 1.591 2.528 0 N-CA-C 105.587 -2.005 . . . . 0.0 105.587 -177.189 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.505 ' H1 ' ' CG ' ' A' ' 20' ' ' ASP . 0.8 OUTLIER . . . . . 0 N--CA 1.53 3.563 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 . . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 68.0 mt -83.93 117.41 29.48 Favored 'Isoleucine or valine' 0 C--N 1.396 2.594 0 N-CA-C 105.063 -2.199 . . . . 0.0 105.063 174.314 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.0 m -140.43 163.45 32.79 Favored 'General case' 0 C--N 1.386 2.195 0 O-C-N 120.799 -1.188 . . . . 0.0 110.525 174.931 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -75.81 151.74 37.44 Favored 'General case' 0 C--N 1.382 1.983 0 C-N-CA 118.957 -1.097 . . . . 0.0 113.387 -170.276 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -145.09 56.12 1.24 Allowed 'General case' 0 C--N 1.386 2.176 0 N-CA-C 102.851 -3.018 . . . . 0.0 102.851 166.638 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.16 7.6 m170 -99.61 -175.63 3.04 Favored 'General case' 0 C--N 1.387 2.226 0 C-N-CA 125.601 1.561 . . . . 0.0 112.556 -178.946 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.4 mp 69.55 176.57 0.27 Allowed 'General case' 0 C--N 1.384 2.075 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 172.761 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.49 58.67 12.17 Favored Glycine 0 C--N 1.387 3.406 0 CA-C-O 117.898 -1.501 . . . . 0.0 110.098 -176.629 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.7 m 117.04 -41.12 0.01 OUTLIER 'General case' 0 C--N 1.393 2.496 0 C-N-CA 129.957 3.303 . . . . 0.0 110.53 174.026 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -144.29 126.76 8.41 Favored Pre-proline 0 CA--C 1.583 2.225 0 CA-C-O 118.929 -0.558 . . . . 0.0 110.668 -172.541 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . 0.271 14.0 Cg_endo -88.1 5.0 5.53 Favored 'Trans proline' 1 CA--C 1.605 4.073 0 N-CA-C 119.657 2.907 . . . . 0.0 119.657 179.599 . . . . . . . . 3 2 . 1 . 038 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -84.0 -25.02 2.45 Favored 'Trans proline' 0 C--N 1.41 3.808 1 N-CA-C 127.763 6.024 . . . . 0.0 127.763 -176.402 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.6 p -91.82 149.54 21.53 Favored 'General case' 0 C--N 1.396 2.602 0 CA-C-N 125.098 3.59 . . . . 0.0 118.866 -172.315 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.5 p -129.22 137.95 51.41 Favored 'General case' 0 C--N 1.381 1.971 0 CA-C-N 110.7 -2.955 . . . . 0.0 106.064 166.567 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -98.18 116.31 30.14 Favored 'General case' 0 C--N 1.376 1.729 0 CA-C-N 115.148 -0.933 . . . . 0.0 108.55 -171.845 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.8 m -76.95 98.46 4.93 Favored 'General case' 0 C--N 1.392 2.444 0 N-CA-C 102.596 -3.113 . . . . 0.0 102.596 173.501 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.4 t -118.64 151.17 38.43 Favored 'General case' 0 C--N 1.39 2.345 0 CA-C-O 122.571 1.177 . . . . 0.0 112.296 -170.871 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -102.19 63.63 0.9 Allowed 'General case' 0 C--N 1.378 1.846 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 179.614 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -146.01 111.97 5.67 Favored 'General case' 0 CA--C 1.572 1.792 1 N-CA-C 99.949 -4.093 . . . . 0.0 99.949 174.268 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.505 ' CG ' ' H1 ' ' A' ' 1' ' ' ARG 2.12 4.1 m-20 -61.52 4.12 0.11 Allowed 'General case' 0 CA--C 1.585 2.314 0 C-N-CA 128.383 2.673 . . . . 0.0 116.393 -166.911 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.8 t -159.3 157.72 31.06 Favored 'General case' 0 C--N 1.381 1.977 0 CA-C-N 120.919 1.69 . . . . 0.0 107.843 -176.727 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.9 p -149.49 150.36 32.21 Favored 'General case' 0 C--N 1.391 2.395 0 C-N-CA 117.512 -1.675 . . . . 0.0 115.222 -176.373 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -118.16 149.99 40.14 Favored 'General case' 0 C--N 1.386 2.158 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 -163.846 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.589 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 43.6 mttm -100.11 115.64 30.27 Favored 'General case' 0 C--N 1.388 2.255 0 N-CA-C 105.137 -2.172 . . . . 0.0 105.137 -177.613 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.677 ' HA ' ' HE1' ' A' ' 27' ' ' TRP . 6.3 t-20 -113.16 115.93 29.03 Favored 'General case' 0 CA--C 1.58 2.104 0 N-CA-C 101.313 -3.588 . . . . 0.0 101.313 -177.406 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.01 42.72 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.388 2.275 0 CA-C-O 123.413 1.578 . . . . 0.0 111.78 -165.747 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.677 ' HE1' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -148.81 -83.27 0.11 Allowed 'General case' 0 C--N 1.371 1.535 0 N-CA-C 103.952 -2.61 . . . . 0.0 103.952 -168.47 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.261 10.2 t 70.87 -90.04 0.03 OUTLIER 'General case' 0 CA--C 1.583 2.222 0 N-CA-C 104.911 -2.255 . . . . 0.0 104.911 -175.424 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -179.51 -47.71 0.01 OUTLIER 'General case' 0 C--N 1.384 2.088 0 N-CA-C 103.977 -2.601 . . . . 0.0 103.977 -177.043 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -64.93 -2.96 2.96 Favored 'General case' 0 CA--C 1.584 2.264 0 C-N-CA 130.191 3.396 . . . . 0.0 112.636 170.472 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 70.71 73.38 0.2 Allowed 'General case' 0 C--N 1.395 2.563 0 CA-C-N 122.181 2.264 . . . . 0.0 108.262 173.039 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.7 tp -163.03 162.03 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.394 2.523 0 C-N-CA 118.106 -1.438 . . . . 0.0 113.601 -174.291 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.3 mt -91.96 97.22 6.98 Favored 'Isoleucine or valine' 0 C--N 1.389 2.308 0 N-CA-C 105.068 -2.197 . . . . 0.0 105.068 174.185 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.0 ttp85 -146.02 120.66 9.8 Favored 'General case' 0 C--N 1.384 2.098 0 N-CA-C 101.813 -3.403 . . . . 0.0 101.813 -179.476 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -150.63 -169.43 3.38 Favored 'General case' 0 C--N 1.385 2.125 0 CA-C-N 113.75 -1.568 . . . . 0.0 113.418 -153.937 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -168.15 -176.76 38.86 Favored Glycine 0 C--N 1.396 3.877 1 C-N-CA 112.771 -4.537 . . . . 0.0 119.382 -172.583 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.8 p -94.05 119.4 32.86 Favored 'General case' 0 C--N 1.387 2.239 0 CA-C-N 114.168 -1.016 . . . . 0.0 110.358 -178.251 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.18 -88.67 0.07 OUTLIER Glycine 0 C--N 1.395 3.835 0 N-CA-C 106.001 -2.84 . . . . 0.0 106.001 172.561 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.361 43.5 t 87.24 -56.25 0.04 OUTLIER 'General case' 0 C--N 1.383 2.042 0 CA-C-N 113.164 -1.518 . . . . 0.0 111.251 176.101 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 . . . . . 0 CA--C 1.581 2.138 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 -169.828 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.554 2.503 0 N-CA-C 111.334 -0.706 . . . . 0.0 111.334 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -51.26 155.67 6.4 Favored 'Trans proline' 0 C--N 1.386 2.513 0 C-N-CA 121.614 1.543 . . . . 0.0 111.603 170.359 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -79.84 138.81 37.29 Favored 'General case' 0 CA--C 1.575 1.92 0 CA-C-N 114.0 -1.455 . . . . 0.0 110.136 -177.662 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 4.3 m -119.21 161.96 19.49 Favored 'General case' 0 C--N 1.399 2.745 0 N-CA-C 118.782 2.882 . . . . 0.0 118.782 -163.953 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.6 t -138.03 150.57 47.06 Favored 'General case' 0 C--N 1.387 2.213 0 CA-C-N 113.743 -1.572 . . . . 0.0 111.009 177.897 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.55 53.01 1.0 Allowed 'General case' 0 C--N 1.379 1.854 0 O-C-N 121.436 -0.79 . . . . 0.0 109.033 -174.753 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.1 t -147.38 151.44 36.51 Favored 'General case' 0 C--N 1.382 1.999 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.541 -173.318 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.455 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 26.4 t70 -60.42 126.61 28.13 Favored 'General case' 0 C--N 1.398 2.711 0 N-CA-C 105.36 -2.089 . . . . 0.0 105.36 179.805 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.455 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 40.1 mmtm 72.43 -72.07 0.12 Allowed 'General case' 0 C--N 1.388 2.248 0 C-N-CA 125.716 1.606 . . . . 0.0 109.568 178.896 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.268 30.3 t 78.92 31.08 0.32 Allowed 'General case' 0 CA--C 1.576 1.98 0 C-N-CA 127.322 2.249 . . . . 0.0 109.759 -178.281 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 64.8 t30 60.56 72.86 0.5 Allowed 'General case' 0 C--N 1.394 2.522 0 N-CA-C 106.147 -1.797 . . . . 0.0 106.147 176.174 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.589 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 20.6 mt . . . . . 0 CA--C 1.602 2.967 0 C-N-CA 126.304 1.842 . . . . 0.0 108.489 -179.281 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 1' ' ' ARG . . . . . 0.479 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.9 OUTLIER . . . . . 0 N--CA 1.536 3.841 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 . . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.1 mt -79.29 125.59 38.62 Favored 'Isoleucine or valine' 0 C--N 1.392 2.422 0 CA-C-O 122.682 1.229 . . . . 0.0 108.601 -179.774 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.6 m -142.74 151.11 40.94 Favored 'General case' 0 C--N 1.387 2.21 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 162.672 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -92.4 157.72 16.45 Favored 'General case' 0 C--N 1.387 2.199 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -168.814 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.4 p30 -128.17 22.73 6.1 Favored 'General case' 0 C--N 1.384 2.066 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -177.553 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.22 2.3 m-70 -75.55 -169.99 1.16 Allowed 'General case' 0 C--N 1.39 2.333 0 N-CA-C 115.493 1.664 . . . . 0.0 115.493 -168.98 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.0 mt 72.9 -168.99 0.13 Allowed 'General case' 0 C--N 1.393 2.467 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 171.157 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.22 -51.1 2.77 Favored Glycine 0 C--N 1.384 3.241 0 CA-C-N 114.518 -1.219 . . . . 0.0 110.265 -172.202 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 55.4 m -172.94 -48.96 0.02 OUTLIER 'General case' 0 C--N 1.38 1.908 0 N-CA-C 105.09 -2.189 . . . . 0.0 105.09 -178.824 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -76.84 151.41 82.24 Favored Pre-proline 0 C--N 1.393 2.489 0 C-N-CA 119.489 -0.885 . . . . 0.0 112.095 -178.693 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -61.7 172.44 3.68 Favored 'Trans proline' 0 C--N 1.402 3.366 0 C-N-CA 122.568 2.179 . . . . 0.0 115.392 -179.285 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_exo -52.41 145.76 35.38 Favored 'Trans proline' 0 C--N 1.395 2.995 0 C-N-CA 122.788 2.325 . . . . 0.0 116.54 -179.236 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.0 m -168.55 155.92 7.72 Favored 'General case' 0 C--N 1.387 2.231 0 CA-C-N 113.394 -1.73 . . . . 0.0 106.92 -178.821 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.5 p -143.62 155.63 44.32 Favored 'General case' 0 C--N 1.384 2.086 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -164.383 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -119.24 120.16 36.2 Favored 'General case' 0 C--N 1.386 2.177 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 177.658 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 47.7 m -95.23 90.1 5.74 Favored 'General case' 0 C--N 1.388 2.254 0 N-CA-C 100.954 -3.721 . . . . 0.0 100.954 175.588 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 1' ' ' ARG . 44.5 t -118.49 162.69 17.94 Favored 'General case' 0 C--N 1.386 2.191 0 CA-C-O 122.591 1.186 . . . . 0.0 114.143 -164.365 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -101.42 1.02 37.89 Favored 'General case' 0 C--N 1.376 1.727 0 CA-C-N 113.526 -1.67 . . . . 0.0 112.992 -177.691 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -77.3 115.67 17.27 Favored 'General case' 0 C--N 1.399 2.73 0 N-CA-C 104.781 -2.303 . . . . 0.0 104.781 176.544 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.192 67.4 m-20 -60.85 -12.77 12.0 Favored 'General case' 0 C--N 1.388 2.243 0 C-N-CA 126.515 1.926 . . . . 0.0 115.686 -169.407 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.6 t -127.34 122.12 32.88 Favored 'General case' 0 C--N 1.379 1.849 0 N-CA-C 104.158 -2.534 . . . . 0.0 104.158 177.816 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.387 18.3 p -121.23 146.23 47.02 Favored 'General case' 0 C--N 1.388 2.26 0 CA-C-O 123.117 1.437 . . . . 0.0 111.551 179.581 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -124.48 160.69 27.69 Favored 'General case' 0 C--N 1.386 2.157 0 N-CA-C 116.103 1.89 . . . . 0.0 116.103 -158.062 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.588 ' HZ2' ' C ' ' A' ' 59' ' ' LEU . 68.4 mmtt -107.23 124.88 50.39 Favored 'General case' 0 C--N 1.386 2.193 0 CA-C-N 112.236 -2.256 . . . . 0.0 107.549 175.814 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.513 ' H ' ' HB3' ' A' ' 35' ' ' ARG . 0.4 OUTLIER -119.54 108.31 14.36 Favored 'General case' 0 CA--C 1.572 1.822 0 N-CA-C 101.532 -3.507 . . . . 0.0 101.532 177.32 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -123.84 -31.3 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.398 2.688 0 N-CA-C 117.674 2.472 . . . . 0.0 117.674 -155.819 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.569 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -56.94 -106.05 0.0 OUTLIER 'General case' 0 CA--C 1.596 2.725 0 C-N-CA 131.402 3.881 . . . . 0.0 106.715 168.848 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.6 t 71.8 158.61 0.2 Allowed 'General case' 0 C--N 1.393 2.457 0 CA-C-O 123.518 1.628 . . . . 0.0 112.9 177.41 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -67.02 -35.42 79.89 Favored 'General case' 0 C--N 1.386 2.179 0 CA-C-N 114.408 -1.269 . . . . 0.0 111.451 175.488 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . 0.259 16.9 p30 -86.27 9.42 17.81 Favored 'General case' 0 CA--C 1.582 2.187 0 C-N-CA 126.293 1.837 . . . . 0.0 113.0 -178.405 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.7 t30 58.04 65.36 1.31 Allowed 'General case' 0 C--N 1.399 2.72 0 CA-C-N 121.397 1.908 . . . . 0.0 106.049 173.001 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 tp -163.07 158.08 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.396 2.625 0 C-N-CA 115.45 -2.5 . . . . 0.0 114.681 -167.262 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -103.72 89.11 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.386 2.156 0 N-CA-C 104.67 -2.345 . . . . 0.0 104.67 -177.664 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.1 ttp85 -126.66 108.14 10.82 Favored 'General case' 0 C--N 1.382 2.02 0 N-CA-C 103.694 -2.706 . . . . 0.0 103.694 -175.601 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.513 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -152.0 -159.53 1.03 Allowed 'General case' 0 C--N 1.396 2.619 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -157.562 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 169.03 -166.26 39.56 Favored Glycine 0 C--N 1.394 3.76 0 C-N-CA 114.759 -3.591 . . . . 0.0 118.258 -175.228 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.4 p -87.57 126.09 34.73 Favored 'General case' 0 C--N 1.391 2.371 0 CA-C-O 121.749 0.785 . . . . 0.0 109.967 177.522 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.68 -87.61 0.07 OUTLIER Glycine 0 C--N 1.396 3.872 0 N-CA-C 105.491 -3.043 . . . . 0.0 105.491 175.876 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 40' ' ' PHE 2.454 52.8 t 64.95 -163.79 0.25 Allowed 'General case' 0 C--N 1.383 2.038 0 N-CA-C 116.064 1.875 . . . . 0.0 116.064 172.875 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 40' ' ' PHE . . . . . 0.462 ' N ' ' SG ' ' A' ' 39' ' ' CYS 0.264 27.5 m-85 . . . . . 0 C--N 1.38 1.894 0 CA-C-N 112.081 -2.327 . . . . 0.0 109.302 -177.434 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.557 2.665 0 N-CA-C 111.686 -0.565 . . . . 0.0 111.686 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -67.37 163.25 35.32 Favored 'Trans proline' 0 C--N 1.387 2.564 0 N-CA-C 115.163 1.178 . . . . 0.0 115.163 176.149 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . 0.287 11.3 p90 -90.14 136.43 33.06 Favored 'General case' 0 C--N 1.385 2.114 0 N-CA-C 106.711 -1.588 . . . . 0.0 106.711 176.6 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 4.0 m -115.37 164.23 14.56 Favored 'General case' 0 C--N 1.389 2.307 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 -164.214 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.9 t -141.73 159.02 43.09 Favored 'General case' 0 C--N 1.38 1.929 0 CA-C-N 113.877 -1.51 . . . . 0.0 110.344 -174.869 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -124.75 64.14 1.12 Allowed 'General case' 0 C--N 1.383 2.022 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 177.866 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.4 m -160.5 170.75 20.29 Favored 'General case' 0 C--N 1.387 2.224 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.935 177.606 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.538 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 26.2 t0 -78.95 108.4 12.39 Favored 'General case' 0 CA--C 1.587 2.387 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 -178.783 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.538 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.307 8.8 mptt 78.98 -55.64 0.45 Allowed 'General case' 0 C--N 1.396 2.611 0 C-N-CA 127.98 2.512 . . . . 0.0 114.554 176.473 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 38.4 m 67.33 45.3 1.65 Allowed 'General case' 0 CA--C 1.587 2.372 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -177.325 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.6 t30 70.51 79.24 0.18 Allowed 'General case' 0 C--N 1.394 2.504 0 N-CA-C 105.907 -1.886 . . . . 0.0 105.907 -179.916 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.588 ' C ' ' HZ2' ' A' ' 24' ' ' LYS . 1.6 mm? . . . . . 0 CA--C 1.597 2.76 0 C-N-CA 126.813 2.045 . . . . 0.0 110.152 175.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.511 HH12 ' CG ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 1 N--CA 1.541 4.084 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 73.1 mt -121.78 127.78 75.56 Favored 'Isoleucine or valine' 0 C--N 1.383 2.064 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.9 m -144.0 134.55 24.81 Favored 'General case' 0 C--N 1.383 2.05 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -78.81 154.23 30.05 Favored 'General case' 0 C--N 1.386 2.193 0 O-C-N 120.161 -1.587 . . . . 0.0 111.546 -169.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -139.69 59.78 1.58 Allowed 'General case' 0 C--N 1.386 2.188 0 N-CA-C 103.936 -2.616 . . . . 0.0 103.936 172.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.199 18.2 m170 -102.63 -166.35 1.27 Allowed 'General case' 0 C--N 1.385 2.145 0 C-N-CA 128.002 2.521 . . . . 0.0 112.714 -178.396 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.525 ' H ' ' HA ' ' A' ' 11' ' ' PRO 0.37 84.9 mt 68.39 -174.89 0.19 Allowed 'General case' 0 C--N 1.384 2.075 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 171.41 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.31 -40.26 2.98 Favored Glycine 0 C--N 1.389 3.512 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.099 -166.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.9 m -179.88 -42.58 0.01 OUTLIER 'General case' 0 C--N 1.384 2.087 0 C-N-CA 126.519 1.928 . . . . 0.0 106.065 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -103.3 100.85 19.43 Favored Pre-proline 0 CA--C 1.583 2.216 0 C-N-CA 124.985 1.314 . . . . 0.0 107.934 -171.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.525 ' HA ' ' H ' ' A' ' 7' ' ' LEU 0.293 38.1 Cg_endo -91.83 6.17 3.53 Favored 'Trans proline' 0 C--N 1.409 3.749 0 N-CA-C 120.956 3.406 . . . . 0.0 120.956 -175.528 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -82.8 -22.41 4.39 Favored 'Trans proline' 0 C--N 1.404 3.486 1 N-CA-C 124.145 4.633 . . . . 0.0 124.145 -176.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.0 p -85.86 146.33 26.79 Favored 'General case' 0 C--N 1.396 2.627 0 CA-C-N 124.331 3.241 . . . . 0.0 114.891 -173.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 70.4 p -135.08 138.22 43.62 Favored 'General case' 0 C--N 1.381 1.948 0 CA-C-N 113.162 -1.836 . . . . 0.0 108.042 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -96.4 101.37 12.99 Favored 'General case' 0 C--N 1.38 1.906 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 -173.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 60.2 m -82.6 85.79 6.93 Favored 'General case' 0 C--N 1.385 2.122 0 N-CA-C 100.248 -3.982 . . . . 0.0 100.248 173.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.6 t -117.22 156.81 27.09 Favored 'General case' 0 C--N 1.389 2.285 0 CA-C-O 123.632 1.682 . . . . 0.0 113.79 -162.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -97.23 5.28 50.33 Favored 'General case' 0 C--N 1.378 1.841 0 CA-C-N 112.862 -1.972 . . . . 0.0 114.47 -172.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -80.56 146.07 31.45 Favored 'General case' 0 C--N 1.391 2.396 0 CA-C-N 122.124 2.238 . . . . 0.0 110.922 -177.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.511 ' CG ' HH12 ' A' ' 1' ' ' ARG 2.047 1.6 m-20 -57.96 -3.94 0.27 Allowed 'General case' 0 C--N 1.39 2.338 0 C-N-CA 130.398 3.479 . . . . 0.0 113.273 176.835 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.4 t -161.58 146.22 13.18 Favored 'General case' 0 C--N 1.383 2.057 0 O-C-N 120.418 -1.426 . . . . 0.0 108.792 -177.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.2 p -138.9 156.4 47.31 Favored 'General case' 0 C--N 1.389 2.298 0 CA-C-O 122.969 1.366 . . . . 0.0 111.511 170.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -119.83 149.13 42.57 Favored 'General case' 0 C--N 1.375 1.682 0 CA-C-N 113.423 -1.717 . . . . 0.0 113.558 -170.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -111.88 109.93 19.99 Favored 'General case' 0 C--N 1.386 2.18 0 N-CA-C 103.916 -2.624 . . . . 0.0 103.916 176.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.588 ' HA ' ' HE1' ' A' ' 27' ' ' TRP . 19.4 t-20 -115.27 116.83 28.97 Favored 'General case' 0 CA--C 1.584 2.266 0 N-CA-C 103.718 -2.697 . . . . 0.0 103.718 -176.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.69 7.33 6.24 Favored 'Isoleucine or valine' 0 C--N 1.391 2.373 0 N-CA-C 115.945 1.831 . . . . 0.0 115.945 -165.019 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.588 ' HE1' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -117.86 -83.69 0.64 Allowed 'General case' 0 CA--C 1.574 1.878 0 C-N-CA 131.557 3.943 . . . . 0.0 105.051 -167.284 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.282 14.4 t 73.74 -81.31 0.03 OUTLIER 'General case' 0 C--N 1.386 2.181 0 C-N-CA 127.58 2.352 . . . . 0.0 108.084 179.079 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -179.7 -55.72 0.01 OUTLIER 'General case' 0 C--N 1.386 2.171 0 N-CA-C 105.164 -2.161 . . . . 0.0 105.164 -174.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -69.27 9.24 0.46 Allowed 'General case' 0 CA--C 1.578 2.042 0 C-N-CA 130.587 3.555 . . . . 0.0 112.342 174.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 59.51 66.34 1.03 Allowed 'General case' 0 C--N 1.391 2.408 0 C-N-CA 126.471 1.908 . . . . 0.0 106.084 175.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 tp -149.66 164.77 3.6 Favored 'Isoleucine or valine' 0 C--N 1.392 2.426 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -171.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.9 mp -104.53 95.61 3.95 Favored 'Isoleucine or valine' 0 C--N 1.386 2.184 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.84 118.6 11.71 Favored 'General case' 0 C--N 1.385 2.115 0 N-CA-C 104.619 -2.363 . . . . 0.0 104.619 -175.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -152.57 -171.02 3.8 Favored 'General case' 0 C--N 1.39 2.345 0 C-N-CA 118.834 -1.147 . . . . 0.0 113.654 -158.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -179.71 176.19 47.39 Favored Glycine 0 C--N 1.394 3.801 1 C-N-CA 113.521 -4.18 . . . . 0.0 118.953 -173.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.0 p -82.82 101.68 11.12 Favored 'General case' 0 C--N 1.389 2.3 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 177.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.52 -117.99 0.45 Allowed Glycine 0 C--N 1.396 3.869 0 N-CA-C 107.221 -2.351 . . . . 0.0 107.221 177.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.398 14.2 t 83.01 -126.27 0.01 OUTLIER 'General case' 0 C--N 1.385 2.151 0 O-C-N 121.418 -1.048 . . . . 0.0 110.736 173.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 67.53 32.17 5.8 Favored 'General case' 0 C--N 1.387 2.234 0 O-C-N 121.256 -0.902 . . . . 0.0 110.773 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.9 t -120.04 110.22 36.63 Favored Pre-proline 0 C--N 1.38 1.898 0 N-CA-C 101.974 -3.343 . . . . 0.0 101.974 174.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -47.43 114.16 0.95 Allowed 'Trans proline' 0 C--N 1.395 3.025 0 N-CA-C 105.815 -2.417 . . . . 0.0 105.815 175.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.6 tpt85 -86.4 74.05 10.03 Favored 'General case' 0 C--N 1.398 2.685 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 -176.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -102.85 59.24 0.54 Allowed Glycine 0 C--N 1.389 3.509 0 N-CA-C 106.403 -2.679 . . . . 0.0 106.403 171.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.474 0.3 OUTLIER 44.19 49.06 7.75 Favored 'General case' 0 C--N 1.383 2.052 0 C-N-CA 127.396 2.278 . . . . 0.0 108.407 -168.608 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.1 mtt -97.43 161.83 24.64 Favored Pre-proline 0 C--N 1.386 2.155 0 CA-C-N 113.533 -1.667 . . . . 0.0 109.164 170.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -54.61 125.89 20.52 Favored 'Trans proline' 0 C--N 1.389 2.706 0 CA-C-O 123.488 1.37 . . . . 0.0 108.926 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 138.68 167.05 10.84 Favored Glycine 0 C--N 1.391 3.61 0 CA-C-N 114.586 -1.188 . . . . 0.0 113.644 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -79.32 170.13 17.89 Favored 'Trans proline' 0 C--N 1.383 2.391 0 C-N-CA 123.83 3.02 . . . . 0.0 110.527 173.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . 0.276 0.4 OUTLIER -72.58 129.73 38.95 Favored 'General case' 0 C--N 1.396 2.59 0 C-N-CA 116.051 -2.26 . . . . 0.0 105.701 178.342 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.4 m -123.35 127.82 49.03 Favored 'General case' 0 C--N 1.391 2.402 0 CA-C-O 122.858 1.313 . . . . 0.0 108.894 -172.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 45.5 t -123.93 173.52 8.16 Favored 'General case' 0 C--N 1.382 2.02 0 C-N-CA 126.168 1.787 . . . . 0.0 113.183 -173.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -131.12 56.28 1.81 Allowed 'General case' 0 C--N 1.385 2.12 0 CA-C-O 122.103 0.954 . . . . 0.0 109.582 -178.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.0 t -150.29 155.57 39.92 Favored 'General case' 0 C--N 1.383 2.035 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.36 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.575 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 17.0 t70 -64.54 129.17 38.85 Favored 'General case' 0 C--N 1.388 2.253 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 177.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.575 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.256 36.9 mmtm 72.21 -68.0 0.24 Allowed 'General case' 0 C--N 1.394 2.536 0 C-N-CA 128.087 2.555 . . . . 0.0 107.944 -175.588 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.295 42.4 t 62.11 65.83 0.86 Allowed 'General case' 0 C--N 1.378 1.842 0 C-N-CA 127.155 2.182 . . . . 0.0 106.319 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.4 t30 77.12 60.28 0.04 OUTLIER 'General case' 0 C--N 1.389 2.303 0 C-N-CA 126.144 1.778 . . . . 0.0 111.094 168.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . 0.268 19.3 tp . . . . . 0 CA--C 1.581 2.164 0 C-N-CA 129.061 2.944 . . . . 0.0 107.407 174.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.48 ' HG2' HH11 ' A' ' 1' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.531 3.592 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -92.25 132.03 37.7 Favored 'Isoleucine or valine' 0 C--N 1.389 2.287 0 CA-C-O 122.407 1.099 . . . . 0.0 109.434 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 83.0 m -143.86 151.41 39.84 Favored 'General case' 0 C--N 1.386 2.169 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 163.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.5 m-30 -92.82 166.22 12.53 Favored 'General case' 0 C--N 1.387 2.217 0 C-N-CA 118.048 -1.461 . . . . 0.0 112.893 -171.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -142.06 52.28 1.48 Allowed 'General case' 0 C--N 1.38 1.925 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 171.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.176 8.8 m170 -81.78 -160.91 0.39 Allowed 'General case' 0 C--N 1.386 2.176 0 C-N-CA 126.616 1.967 . . . . 0.0 110.967 173.059 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.277 63.0 mt 64.66 -164.74 0.24 Allowed 'General case' 0 C--N 1.385 2.117 0 CA-C-O 123.123 1.44 . . . . 0.0 113.015 170.604 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.37 -55.36 4.51 Favored Glycine 0 C--N 1.384 3.244 0 N-CA-C 107.593 -2.203 . . . . 0.0 107.593 -166.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.0 m -168.98 -43.79 0.02 OUTLIER 'General case' 0 C--N 1.381 1.978 0 N-CA-C 107.378 -1.341 . . . . 0.0 107.378 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -86.9 156.15 55.34 Favored Pre-proline 0 C--N 1.388 2.25 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 -168.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -55.05 161.98 5.93 Favored 'Trans proline' 0 C--N 1.402 3.377 0 C-N-CA 123.626 2.884 . . . . 0.0 117.653 -178.206 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -50.01 136.25 36.87 Favored 'Trans proline' 0 C--N 1.396 3.043 0 C-N-CA 123.981 3.121 . . . . 0.0 116.21 -177.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.31 47.0 p -160.41 137.94 9.52 Favored 'General case' 0 C--N 1.392 2.455 0 N-CA-C 104.713 -2.329 . . . . 0.0 104.713 177.405 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.8 p -125.92 157.66 37.14 Favored 'General case' 0 C--N 1.388 2.262 0 N-CA-C 114.914 1.449 . . . . 0.0 114.914 -163.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -117.39 94.47 4.57 Favored 'General case' 0 C--N 1.39 2.368 0 N-CA-C 106.884 -1.525 . . . . 0.0 106.884 -174.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.6 m -77.1 107.04 9.18 Favored 'General case' 0 C--N 1.389 2.312 0 N-CA-C 102.346 -3.205 . . . . 0.0 102.346 172.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.5 t -118.44 152.98 34.87 Favored 'General case' 0 C--N 1.393 2.492 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -168.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -96.82 -21.12 17.71 Favored 'General case' 0 C--N 1.387 2.208 0 CA-C-N 114.664 -1.153 . . . . 0.0 112.909 177.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -64.34 125.57 25.04 Favored 'General case' 0 C--N 1.395 2.579 0 N-CA-C 103.655 -2.72 . . . . 0.0 103.655 173.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.15 40.5 m-20 -64.38 9.9 0.07 Allowed 'General case' 0 C--N 1.39 2.343 0 C-N-CA 127.227 2.211 . . . . 0.0 114.844 -169.437 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.9 t -153.62 143.6 22.04 Favored 'General case' 0 C--N 1.386 2.161 0 CA-C-N 120.482 1.492 . . . . 0.0 107.999 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.9 p -146.61 165.12 30.47 Favored 'General case' 0 C--N 1.381 1.956 0 CA-C-N 114.905 -1.043 . . . . 0.0 112.012 176.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -147.15 161.82 40.11 Favored 'General case' 0 C--N 1.388 2.275 0 N-CA-C 116.388 1.995 . . . . 0.0 116.388 -161.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.8 mmtt -107.15 118.83 37.75 Favored 'General case' 0 C--N 1.385 2.115 0 CA-C-N 111.312 -2.676 . . . . 0.0 106.732 -177.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.595 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 20.6 t-20 -119.29 128.88 54.55 Favored 'General case' 0 CA--C 1.583 2.225 0 N-CA-C 103.898 -2.63 . . . . 0.0 103.898 -175.047 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.38 -40.71 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.402 2.876 0 N-CA-C 116.532 2.049 . . . . 0.0 116.532 -149.135 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.595 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -52.07 -93.73 0.0 OUTLIER 'General case' 0 CA--C 1.578 2.045 0 C-N-CA 130.934 3.693 . . . . 0.0 107.508 169.069 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.8 t 78.8 -19.49 0.44 Allowed 'General case' 0 C--N 1.389 2.321 0 C-N-CA 125.029 1.332 . . . . 0.0 112.69 172.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . 0.316 62.1 m-85 84.72 -51.54 0.1 Allowed 'General case' 0 C--N 1.39 2.327 0 C-N-CA 126.476 1.91 . . . . 0.0 107.912 -174.063 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -68.8 -11.29 60.24 Favored 'General case' 0 CA--C 1.577 1.982 0 CA-C-O 117.009 -1.472 . . . . 0.0 110.899 172.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 70.43 76.17 0.2 Allowed 'General case' 0 C--N 1.396 2.606 0 CA-C-N 122.435 2.379 . . . . 0.0 106.915 174.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 tp -162.01 164.54 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.392 2.438 0 C-N-CA 117.433 -1.707 . . . . 0.0 113.354 -176.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.0 mm -91.07 87.99 2.74 Favored 'Isoleucine or valine' 0 C--N 1.384 2.079 0 N-CA-C 104.23 -2.507 . . . . 0.0 104.23 177.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.01 131.57 23.92 Favored 'General case' 0 C--N 1.386 2.165 0 N-CA-C 104.137 -2.542 . . . . 0.0 104.137 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.503 ' HG2' HH11 ' A' ' 35' ' ' ARG . 1.1 ptt-85 -171.46 -162.12 0.22 Allowed 'General case' 0 C--N 1.407 3.073 0 C-N-CA 116.29 -2.164 . . . . 0.0 113.302 -142.418 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -172.69 179.74 43.99 Favored Glycine 1 C--N 1.399 4.067 1 C-N-CA 113.532 -4.175 . . . . 0.0 120.979 -173.835 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 44.1 t -96.65 108.96 21.67 Favored 'General case' 0 C--N 1.388 2.25 0 CA-C-N 113.369 -1.416 . . . . 0.0 107.621 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.95 -78.35 0.04 OUTLIER Glycine 0 C--N 1.395 3.83 0 N-CA-C 105.91 -2.876 . . . . 0.0 105.91 176.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.36 46.1 t 69.7 -156.89 0.15 Allowed 'General case' 0 C--N 1.39 2.328 0 CA-C-O 123.037 1.398 . . . . 0.0 113.299 176.227 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 51.78 42.69 30.13 Favored 'General case' 0 C--N 1.381 1.944 0 CA-C-N 113.335 -1.757 . . . . 0.0 108.977 177.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 65.1 p -97.04 122.39 56.52 Favored Pre-proline 0 C--N 1.387 2.215 0 N-CA-C 105.305 -2.109 . . . . 0.0 105.305 177.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -76.03 97.64 1.13 Allowed 'Trans proline' 0 C--N 1.396 3.034 0 N-CA-C 104.523 -2.914 . . . . 0.0 104.523 176.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 39.1 ttt-85 -86.4 108.87 18.67 Favored 'General case' 0 C--N 1.393 2.462 0 CA-C-O 122.928 1.346 . . . . 0.0 107.415 -177.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -144.98 -100.54 0.3 Allowed Glycine 0 C--N 1.385 3.275 0 N-CA-C 104.561 -3.416 . . . . 0.0 104.561 173.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.3 p30 -106.44 43.24 1.16 Allowed 'General case' 0 CA--C 1.569 1.709 0 C-N-CA 126.583 1.953 . . . . 0.0 107.551 175.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.9 ttt -149.88 112.67 3.37 Favored Pre-proline 0 C--N 1.385 2.112 0 N-CA-C 102.898 -3.001 . . . . 0.0 102.898 178.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -69.15 153.51 71.61 Favored 'Trans proline' 0 C--N 1.4 3.259 0 N-CA-C 116.714 1.775 . . . . 0.0 116.714 -172.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -169.2 169.17 41.76 Favored Glycine 0 C--N 1.391 3.629 0 CA-C-N 114.529 -1.214 . . . . 0.0 112.368 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -70.89 -171.46 0.57 Allowed 'Trans proline' 0 C--N 1.392 2.868 0 C-N-CA 124.04 3.16 . . . . 0.0 110.501 172.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -109.19 131.18 55.31 Favored 'General case' 0 C--N 1.388 2.263 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 177.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.4 m -118.72 170.39 9.03 Favored 'General case' 0 C--N 1.396 2.599 0 N-CA-C 117.81 2.522 . . . . 0.0 117.81 -167.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.4 t -140.48 160.71 39.4 Favored 'General case' 0 C--N 1.382 1.99 0 CA-C-N 112.329 -2.214 . . . . 0.0 110.375 176.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -135.45 54.04 1.94 Allowed 'General case' 0 C--N 1.384 2.082 0 N-CA-C 106.614 -1.624 . . . . 0.0 106.614 170.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.7 t -152.58 157.38 40.94 Favored 'General case' 0 C--N 1.381 1.956 0 C-N-CA 127.064 2.145 . . . . 0.0 107.35 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.536 ' CG ' ' NZ ' ' A' ' 56' ' ' LYS . 24.7 p-10 -74.89 141.5 44.16 Favored 'General case' 0 C--N 1.393 2.474 0 C-N-CA 116.21 -2.196 . . . . 0.0 110.21 -177.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.536 ' NZ ' ' CG ' ' A' ' 55' ' ' ASP 0.296 3.0 mppt? 75.87 -89.54 0.02 OUTLIER 'General case' 0 C--N 1.388 2.277 0 C-N-CA 125.535 1.534 . . . . 0.0 109.88 177.442 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 11.4 m 79.71 -41.34 0.23 Allowed 'General case' 0 C--N 1.385 2.137 0 C-N-CA 127.685 2.394 . . . . 0.0 112.691 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -172.52 72.52 0.04 OUTLIER 'General case' 0 C--N 1.388 2.277 0 N-CA-C 101.782 -3.414 . . . . 0.0 101.782 -178.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . 0.255 7.4 mp . . . . . 0 CA--C 1.594 2.652 0 N-CA-C 105.579 -2.008 . . . . 0.0 105.579 -171.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.486 HH21 ' CG ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.539 3.989 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 54.9 mt -90.63 123.8 42.95 Favored 'Isoleucine or valine' 0 C--N 1.391 2.41 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.4 m -137.36 147.4 45.49 Favored 'General case' 0 C--N 1.388 2.278 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 173.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -85.32 167.67 15.38 Favored 'General case' 0 C--N 1.388 2.242 0 N-CA-C 115.085 1.513 . . . . 0.0 115.085 -164.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -146.36 54.32 1.13 Allowed 'General case' 0 C--N 1.387 2.231 0 N-CA-C 104.798 -2.297 . . . . 0.0 104.798 177.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.166 4.2 m170 -83.77 -175.4 5.79 Favored 'General case' 0 C--N 1.383 2.046 0 C-N-CA 124.817 1.247 . . . . 0.0 112.595 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.319 79.5 mt 72.84 -171.83 0.14 Allowed 'General case' 0 C--N 1.381 1.939 0 N-CA-C 115.475 1.657 . . . . 0.0 115.475 170.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.412 ' H ' HG12 ' A' ' 32' ' ' ILE . . . 98.43 -44.17 1.8 Allowed Glycine 0 C--N 1.385 3.252 0 N-CA-C 108.234 -1.946 . . . . 0.0 108.234 -164.29 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.8 m 173.41 -45.36 0.01 OUTLIER 'General case' 0 C--N 1.39 2.357 0 C-N-CA 127.121 2.168 . . . . 0.0 105.451 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt -90.5 151.07 43.79 Favored Pre-proline 0 CA--C 1.585 2.325 0 C-N-CA 125.756 1.622 . . . . 0.0 112.969 -177.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -117.92 6.08 0.03 OUTLIER 'Trans proline' 1 C--N 1.423 4.472 0 N-CA-C 118.931 2.627 . . . . 0.0 118.931 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -73.26 -11.19 24.81 Favored 'Trans proline' 0 C--N 1.404 3.462 1 N-CA-C 127.399 5.884 . . . . 0.0 127.399 -176.055 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.8 p -116.8 161.47 19.22 Favored 'General case' 0 C--N 1.394 2.504 1 CA-C-N 126.873 4.397 . . . . 0.0 119.141 -172.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.1 p -144.65 155.72 43.75 Favored 'General case' 0 C--N 1.383 2.037 0 CA-C-N 111.393 -2.639 . . . . 0.0 110.379 -174.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -106.78 93.11 4.39 Favored 'General case' 0 C--N 1.382 2.005 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 -178.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.8 m -68.57 120.66 14.96 Favored 'General case' 0 C--N 1.398 2.704 0 N-CA-C 103.501 -2.777 . . . . 0.0 103.501 170.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -133.21 141.8 48.25 Favored 'General case' 0 C--N 1.391 2.408 0 CA-C-O 123.052 1.406 . . . . 0.0 111.186 -170.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -97.2 -16.76 20.25 Favored 'General case' 0 C--N 1.38 1.922 0 CA-C-N 113.588 -1.642 . . . . 0.0 109.164 169.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -72.06 124.36 24.78 Favored 'General case' 0 C--N 1.401 2.833 0 N-CA-C 104.721 -2.326 . . . . 0.0 104.721 174.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.486 ' CG ' HH21 ' A' ' 1' ' ' ARG 2.129 54.4 m-20 -64.56 12.65 0.04 OUTLIER 'General case' 0 CA--C 1.582 2.2 0 C-N-CA 128.461 2.704 . . . . 0.0 116.432 -170.693 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.7 m -149.11 144.37 26.61 Favored 'General case' 0 C--N 1.386 2.185 0 CA-C-N 122.124 2.238 . . . . 0.0 108.646 -178.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.4 p -136.67 152.61 50.59 Favored 'General case' 0 C--N 1.383 2.057 0 CA-C-O 122.458 1.123 . . . . 0.0 111.596 176.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -122.92 155.56 36.48 Favored 'General case' 0 C--N 1.38 1.931 0 CA-C-O 122.847 1.308 . . . . 0.0 114.344 -167.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.427 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 22.8 mmtt -114.18 122.39 46.65 Favored 'General case' 0 C--N 1.384 2.101 0 CA-C-N 112.539 -2.119 . . . . 0.0 106.881 -175.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.505 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 16.7 t-20 -127.1 122.23 33.68 Favored 'General case' 0 CA--C 1.582 2.175 0 N-CA-C 104.26 -2.496 . . . . 0.0 104.26 -174.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.17 -14.13 2.06 Favored 'Isoleucine or valine' 0 C--N 1.401 2.843 0 N-CA-C 117.59 2.441 . . . . 0.0 117.59 -153.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.548 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -87.66 -106.69 0.07 Allowed 'General case' 0 CA--C 1.591 2.526 1 C-N-CA 134.524 5.13 . . . . 0.0 107.813 -177.333 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.4 t 81.38 151.72 0.1 Allowed 'General case' 0 C--N 1.396 2.63 0 C-N-CA 125.528 1.531 . . . . 0.0 114.635 172.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -56.11 -49.81 72.84 Favored 'General case' 0 C--N 1.396 2.617 0 C-N-CA 125.048 1.339 . . . . 0.0 108.971 176.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 45.5 p30 -73.48 -6.44 46.45 Favored 'General case' 0 CA--C 1.58 2.11 0 C-N-CA 125.511 1.524 . . . . 0.0 113.49 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.2 t30 64.08 81.76 0.2 Allowed 'General case' 0 C--N 1.392 2.446 0 C-N-CA 127.112 2.165 . . . . 0.0 106.333 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.412 HG12 ' H ' ' A' ' 8' ' ' GLY . 1.0 OUTLIER -164.67 168.4 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.392 2.418 0 C-N-CA 118.799 -1.16 . . . . 0.0 113.215 -177.776 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -103.95 103.41 15.16 Favored 'Isoleucine or valine' 0 C--N 1.387 2.202 0 N-CA-C 104.572 -2.381 . . . . 0.0 104.572 175.327 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.473 HH11 ' HG2' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -146.9 121.41 9.72 Favored 'General case' 0 C--N 1.385 2.133 0 N-CA-C 104.252 -2.499 . . . . 0.0 104.252 -175.265 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.33 -171.18 3.61 Favored 'General case' 0 C--N 1.397 2.653 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -158.322 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -165.59 -163.21 18.5 Favored Glycine 1 C--N 1.399 4.057 0 C-N-CA 115.006 -3.473 . . . . 0.0 118.909 -167.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 40.4 t -115.38 115.61 26.87 Favored 'General case' 0 C--N 1.392 2.454 0 CA-C-O 122.143 0.973 . . . . 0.0 109.302 -176.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.52 -95.25 0.1 Allowed Glycine 0 C--N 1.392 3.676 0 N-CA-C 103.82 -3.712 . . . . 0.0 103.82 176.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.414 9.1 t 74.17 -155.08 0.06 Allowed 'General case' 0 C--N 1.388 2.243 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 173.571 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 63.13 39.76 9.58 Favored 'General case' 0 C--N 1.384 2.07 0 CA-C-N 114.405 -1.27 . . . . 0.0 108.428 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 50.3 p -75.41 125.8 88.39 Favored Pre-proline 0 C--N 1.393 2.458 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -66.82 148.49 82.58 Favored 'Trans proline' 0 C--N 1.395 3.007 0 CA-C-O 122.008 0.753 . . . . 0.0 111.043 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 40.3 tpt85 -89.42 71.57 8.05 Favored 'General case' 0 C--N 1.389 2.314 0 CA-C-O 121.626 0.727 . . . . 0.0 110.284 -175.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -121.31 50.74 0.82 Allowed Glycine 0 C--N 1.389 3.486 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 170.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 58.68 51.88 7.33 Favored 'General case' 0 C--N 1.384 2.099 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 175.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 34.8 ttm -126.7 103.22 24.76 Favored Pre-proline 0 C--N 1.391 2.399 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 -174.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -84.36 120.12 2.46 Favored 'Trans proline' 0 C--N 1.402 3.381 0 N-CA-C 109.578 -0.97 . . . . 0.0 109.578 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.5 94.58 0.37 Allowed Glycine 0 C--N 1.391 3.633 0 CA-C-O 115.699 -2.723 . . . . 0.0 106.496 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo 47.13 -152.53 0.0 OUTLIER 'Trans proline' 1 C--N 1.449 5.842 0 C-N-CA 114.671 -3.086 . . . . 0.0 109.815 -171.118 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . 0.279 49.4 p90 -149.28 135.69 19.29 Favored 'General case' 0 C--N 1.373 1.618 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 174.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 16.1 m -120.9 152.53 38.35 Favored 'General case' 0 C--N 1.392 2.444 0 N-CA-C 115.799 1.777 . . . . 0.0 115.799 -161.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 16.8 t -133.59 176.56 8.43 Favored 'General case' 0 C--N 1.378 1.838 0 CA-C-N 112.507 -2.133 . . . . 0.0 111.195 178.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -146.62 37.36 0.99 Allowed 'General case' 0 C--N 1.385 2.126 0 C-N-CA 119.639 -0.825 . . . . 0.0 112.194 -174.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.9 m -123.99 172.42 8.97 Favored 'General case' 0 C--N 1.379 1.881 0 C-N-CA 125.237 1.415 . . . . 0.0 111.349 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.467 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 27.8 t0 -71.6 113.03 8.2 Favored 'General case' 0 C--N 1.388 2.243 0 N-CA-C 105.692 -1.966 . . . . 0.0 105.692 -177.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.467 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.302 4.0 mptt 76.53 -59.92 0.49 Allowed 'General case' 0 C--N 1.396 2.601 0 C-N-CA 126.991 2.116 . . . . 0.0 109.974 -178.323 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 52.2 t 57.77 61.01 2.55 Favored 'General case' 0 C--N 1.378 1.808 0 N-CA-C 106.244 -1.762 . . . . 0.0 106.244 178.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 68.5 75.87 0.26 Allowed 'General case' 0 C--N 1.386 2.178 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 173.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.427 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 23.4 mt . . . . . 0 CA--C 1.603 2.999 0 C-N-CA 127.499 2.32 . . . . 0.0 110.758 176.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.562 ' HG2' HH11 ' A' ' 1' ' ' ARG . 0.2 OUTLIER . . . . . 1 N--CA 1.541 4.111 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 81.0 mt -137.64 139.37 43.27 Favored 'Isoleucine or valine' 0 C--N 1.386 2.186 0 CA-C-N 119.46 1.027 . . . . 0.0 109.464 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 m -140.69 153.84 46.12 Favored 'General case' 0 C--N 1.388 2.25 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 175.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -104.95 147.46 27.76 Favored 'General case' 0 C--N 1.393 2.493 0 O-C-N 120.669 -1.269 . . . . 0.0 113.724 -167.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -130.74 58.21 1.7 Allowed 'General case' 0 C--N 1.392 2.422 0 N-CA-C 105.808 -1.923 . . . . 0.0 105.808 178.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.183 10.9 m170 -101.07 -150.1 0.39 Allowed 'General case' 0 C--N 1.381 1.948 0 C-N-CA 127.592 2.357 . . . . 0.0 111.869 -178.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.489 ' H ' ' HA ' ' A' ' 11' ' ' PRO 0.27 31.3 mt 57.6 -167.45 0.13 Allowed 'General case' 0 C--N 1.385 2.13 0 CA-C-O 122.379 1.085 . . . . 0.0 111.772 176.81 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.02 -53.69 4.51 Favored Glycine 0 C--N 1.383 3.173 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -173.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.5 m -163.54 -49.86 0.03 OUTLIER 'General case' 0 C--N 1.38 1.908 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -102.72 118.13 59.15 Favored Pre-proline 0 CA--C 1.584 2.259 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -176.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.489 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 34.4 Cg_endo -89.62 -6.42 5.09 Favored 'Trans proline' 0 C--N 1.41 3.806 0 N-CA-C 120.543 3.247 . . . . 0.0 120.543 -177.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_exo -81.16 -15.28 10.36 Favored 'Trans proline' 0 C--N 1.397 3.112 1 N-CA-C 125.307 5.08 . . . . 0.0 125.307 -174.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.8 p -92.84 155.99 17.27 Favored 'General case' 0 C--N 1.393 2.472 0 CA-C-N 124.815 3.461 . . . . 0.0 116.541 -172.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 41.8 p -139.62 161.31 37.82 Favored 'General case' 0 C--N 1.385 2.122 0 CA-C-N 111.811 -2.45 . . . . 0.0 112.282 -166.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -127.58 112.82 15.32 Favored 'General case' 0 C--N 1.385 2.148 0 CA-C-O 123.227 1.489 . . . . 0.0 108.288 -174.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 91.5 m -73.38 124.11 25.12 Favored 'General case' 0 C--N 1.387 2.212 0 N-CA-C 105.237 -2.134 . . . . 0.0 105.237 175.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.7 t -125.89 143.38 51.1 Favored 'General case' 0 C--N 1.39 2.352 0 CA-C-O 122.82 1.295 . . . . 0.0 112.126 -173.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 -151.72 49.48 0.8 Allowed 'General case' 0 C--N 1.381 1.952 0 N-CA-C 103.851 -2.648 . . . . 0.0 103.851 165.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -98.21 8.85 44.21 Favored 'General case' 0 C--N 1.396 2.598 0 CA-C-O 121.81 0.814 . . . . 0.0 112.439 176.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.343 0.8 OUTLIER 100.34 -24.99 0.02 OUTLIER 'General case' 0 CA--C 1.577 2.006 0 C-N-CA 129.387 3.075 . . . . 0.0 111.831 178.869 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.3 t -160.02 157.14 28.19 Favored 'General case' 0 C--N 1.391 2.387 0 CA-C-O 122.203 1.001 . . . . 0.0 112.55 -170.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.8 p -139.5 159.33 42.4 Favored 'General case' 0 C--N 1.39 2.337 0 CA-C-O 122.067 0.936 . . . . 0.0 111.963 167.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 43.6 p90 -126.18 154.89 42.61 Favored 'General case' 0 C--N 1.381 1.946 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -167.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.556 ' HZ3' ' C ' ' A' ' 59' ' ' LEU . 13.7 mmtt -111.15 113.46 25.99 Favored 'General case' 0 C--N 1.385 2.144 0 N-CA-C 105.864 -1.902 . . . . 0.0 105.864 -178.731 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.512 ' H ' ' HB3' ' A' ' 35' ' ' ARG . 2.1 t30 -116.82 113.74 22.95 Favored 'General case' 0 CA--C 1.577 2.002 0 N-CA-C 102.981 -2.97 . . . . 0.0 102.981 -178.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.83 -14.74 4.81 Favored 'Isoleucine or valine' 0 C--N 1.392 2.443 0 N-CA-C 115.789 1.774 . . . . 0.0 115.789 -152.4 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.98 -102.35 0.09 Allowed 'General case' 0 CA--C 1.579 2.076 1 C-N-CA 134.508 5.123 . . . . 0.0 107.797 179.265 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.2 t 72.12 168.82 0.32 Allowed 'General case' 0 C--N 1.393 2.469 0 O-C-N 120.704 -1.247 . . . . 0.0 110.948 -174.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -62.71 -46.92 85.88 Favored 'General case' 0 C--N 1.391 2.401 0 O-C-N 121.634 -0.666 . . . . 0.0 109.688 175.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -74.44 -2.9 27.57 Favored 'General case' 0 CA--C 1.576 1.98 0 C-N-CA 129.187 2.995 . . . . 0.0 113.951 -175.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 62.81 74.58 0.43 Allowed 'General case' 0 C--N 1.394 2.541 0 CA-C-N 122.967 2.622 . . . . 0.0 106.379 176.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 tp -161.33 161.05 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.389 2.307 0 C-N-CA 118.284 -1.366 . . . . 0.0 113.535 -171.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.1 mt -101.43 84.8 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.389 2.284 0 CA-C-O 123.6 1.667 . . . . 0.0 106.797 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.15 111.64 16.75 Favored 'General case' 0 C--N 1.381 1.959 0 N-CA-C 101.941 -3.355 . . . . 0.0 101.941 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.512 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -157.86 -170.61 3.23 Favored 'General case' 0 C--N 1.39 2.366 0 CA-C-N 115.077 -0.965 . . . . 0.0 112.721 -160.465 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 175.92 -169.37 42.01 Favored Glycine 0 C--N 1.393 3.744 1 C-N-CA 112.683 -4.579 . . . . 0.0 120.155 -172.386 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.0 t -75.32 112.08 11.25 Favored 'General case' 0 C--N 1.382 2.02 0 CA-C-N 112.645 -1.777 . . . . 0.0 108.293 -177.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.4 -114.41 0.3 Allowed Glycine 1 C--N 1.403 4.281 0 C-N-CA 117.631 -2.223 . . . . 0.0 109.294 -179.176 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.457 ' SG ' ' N ' ' A' ' 40' ' ' PHE 2.405 45.4 t 101.9 -166.51 0.0 OUTLIER 'General case' 0 C--N 1.385 2.123 0 N-CA-C 116.807 2.151 . . . . 0.0 116.807 174.123 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.457 ' N ' ' SG ' ' A' ' 39' ' ' CYS . 5.0 m-85 66.3 57.51 0.74 Allowed 'General case' 0 C--N 1.387 2.208 0 CA-C-N 113.704 -1.589 . . . . 0.0 109.265 167.583 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 45.5 p -84.59 123.08 74.88 Favored Pre-proline 0 C--N 1.392 2.447 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 176.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -78.36 172.03 15.99 Favored 'Trans proline' 0 C--N 1.398 3.159 0 CA-C-O 122.676 1.032 . . . . 0.0 113.217 -173.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.471 HH11 ' HG3' ' A' ' 43' ' ' ARG . 2.2 tpm_? -86.31 54.85 3.3 Favored 'General case' 0 C--N 1.386 2.195 0 N-CA-C 107.1 -1.444 . . . . 0.0 107.1 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -104.14 2.15 43.99 Favored Glycine 0 C--N 1.39 3.554 0 CA-C-O 117.504 -1.72 . . . . 0.0 114.737 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.286 25.1 m-20 69.59 39.13 1.6 Allowed 'General case' 0 C--N 1.385 2.121 0 CA-C-N 120.845 2.323 . . . . 0.0 110.057 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 24.8 ttm -118.73 123.15 29.29 Favored Pre-proline 0 CA--C 1.583 2.242 0 N-CA-C 104.608 -2.368 . . . . 0.0 104.608 173.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -76.45 124.07 7.47 Favored 'Trans proline' 0 C--N 1.396 3.032 0 C-N-CA 122.111 1.874 . . . . 0.0 111.158 -171.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -130.67 173.3 20.19 Favored Glycine 0 C--N 1.397 3.952 0 O-C-N 121.01 -1.057 . . . . 0.0 114.573 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -53.21 161.2 3.83 Favored 'Trans proline' 0 C--N 1.393 2.894 0 C-N-CA 123.428 2.752 . . . . 0.0 116.412 174.229 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -89.62 129.27 36.09 Favored 'General case' 0 C--N 1.386 2.176 0 N-CA-C 105.762 -1.94 . . . . 0.0 105.762 178.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 10.1 m -118.33 155.56 30.43 Favored 'General case' 0 C--N 1.391 2.389 0 CA-C-O 123.407 1.575 . . . . 0.0 114.625 -170.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.9 t -137.4 169.05 18.44 Favored 'General case' 0 C--N 1.379 1.869 0 CA-C-N 112.799 -2.001 . . . . 0.0 111.511 -177.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -132.8 40.02 3.28 Favored 'General case' 0 C--N 1.379 1.858 0 CA-C-O 121.523 0.678 . . . . 0.0 110.218 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.7 t -137.62 154.44 49.74 Favored 'General case' 0 C--N 1.381 1.978 0 C-N-CA 124.843 1.257 . . . . 0.0 110.392 -177.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.538 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 37.3 t0 -56.66 127.23 30.37 Favored 'General case' 0 C--N 1.388 2.245 0 N-CA-C 106.911 -1.515 . . . . 0.0 106.911 176.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.538 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.305 5.2 mptt 72.76 -87.18 0.03 OUTLIER 'General case' 0 C--N 1.396 2.603 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 -179.533 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 35.4 t 68.24 67.59 0.33 Allowed 'General case' 0 C--N 1.38 1.921 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 m120 72.16 75.55 0.16 Allowed 'General case' 0 C--N 1.389 2.288 0 N-CA-C 105.684 -1.969 . . . . 0.0 105.684 173.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.556 ' C ' ' HZ3' ' A' ' 24' ' ' LYS 0.258 10.3 tp . . . . . 0 CA--C 1.588 2.416 0 C-N-CA 129.088 2.955 . . . . 0.0 107.43 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.407 HH11 ' HG2' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 1 N--CA 1.549 4.504 0 CA-C-O 116.121 -1.895 . . . . 0.0 107.929 . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 24.9 mm -114.38 114.23 46.05 Favored 'Isoleucine or valine' 0 C--N 1.394 2.532 0 CA-C-N 122.127 2.24 . . . . 0.0 107.205 175.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.286 81.3 m -124.31 151.17 44.6 Favored 'General case' 0 C--N 1.398 2.702 0 N-CA-C 107.1 -1.444 . . . . 0.0 107.1 164.224 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -97.13 145.15 26.28 Favored 'General case' 0 C--N 1.387 2.197 0 C-N-CA 119.121 -1.032 . . . . 0.0 113.681 -168.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 51.6 p-10 -124.73 24.75 7.66 Favored 'General case' 0 C--N 1.385 2.137 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.597 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.181 2.1 m-70 -74.58 -162.57 0.16 Allowed 'General case' 0 C--N 1.385 2.151 0 C-N-CA 128.89 2.876 . . . . 0.0 112.329 177.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 63.5 mt 69.12 179.19 0.24 Allowed 'General case' 0 C--N 1.384 2.082 0 CA-C-O 123.393 1.568 . . . . 0.0 114.152 172.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.14 18.73 52.94 Favored Glycine 0 C--N 1.382 3.118 0 CA-C-O 117.392 -1.782 . . . . 0.0 111.927 -175.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.0 m 104.46 -38.2 0.01 OUTLIER 'General case' 0 C--N 1.393 2.49 0 C-N-CA 131.371 3.868 . . . . 0.0 109.815 -175.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.526 ' HZ3' ' CG ' ' A' ' 30' ' ' ASP . 8.1 mptt -70.94 161.03 80.37 Favored Pre-proline 0 CA--C 1.579 2.096 0 C-N-CA 124.746 1.218 . . . . 0.0 112.869 -171.616 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -69.86 173.11 11.54 Favored 'Trans proline' 0 C--N 1.398 3.143 0 N-CA-C 115.081 1.146 . . . . 0.0 115.081 -178.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -67.26 153.59 76.72 Favored 'Trans proline' 0 C--N 1.393 2.872 0 N-CA-C 117.677 2.145 . . . . 0.0 117.677 -176.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.334 61.2 p -170.84 132.78 0.9 Allowed 'General case' 0 C--N 1.381 1.952 0 N-CA-C 103.814 -2.661 . . . . 0.0 103.814 177.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 44.8 p -125.38 146.02 49.78 Favored 'General case' 0 C--N 1.374 1.632 0 CA-C-N 113.734 -1.575 . . . . 0.0 108.845 -173.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -103.73 98.59 8.43 Favored 'General case' 0 C--N 1.378 1.845 0 CA-C-O 123.908 1.813 . . . . 0.0 107.294 -169.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 53.1 m -72.78 118.75 16.1 Favored 'General case' 0 C--N 1.388 2.26 0 N-CA-C 103.177 -2.897 . . . . 0.0 103.177 172.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.8 t -146.75 160.02 42.76 Favored 'General case' 0 C--N 1.387 2.221 0 CA-C-O 121.666 0.746 . . . . 0.0 112.685 -166.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -140.76 68.87 1.34 Allowed 'General case' 0 C--N 1.381 1.945 0 N-CA-C 104.908 -2.256 . . . . 0.0 104.908 171.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -119.67 120.06 35.52 Favored 'General case' 0 C--N 1.379 1.878 0 N-CA-C 102.709 -3.071 . . . . 0.0 102.709 177.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.231 1.1 m-20 -31.37 -51.6 0.19 Allowed 'General case' 0 C--N 1.388 2.273 0 C-N-CA 128.794 2.838 . . . . 0.0 110.967 -171.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.9 m -133.55 144.06 49.11 Favored 'General case' 0 C--N 1.387 2.216 0 CA-C-O 123.331 1.538 . . . . 0.0 109.219 173.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.27 28.6 p -121.51 148.46 44.44 Favored 'General case' 0 C--N 1.384 2.078 0 CA-C-O 122.981 1.372 . . . . 0.0 110.414 173.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -121.57 162.24 20.95 Favored 'General case' 0 C--N 1.382 2.004 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 -163.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.574 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -109.23 117.16 33.37 Favored 'General case' 0 C--N 1.381 1.971 0 CA-C-N 111.108 -2.769 . . . . 0.0 106.549 178.221 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.516 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 1.6 t30 -117.94 130.01 55.96 Favored 'General case' 0 CA--C 1.579 2.064 0 C-N-CA 129.014 2.926 . . . . 0.0 104.365 -177.464 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -141.65 30.34 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.406 3.06 0 CA-C-O 122.823 1.297 . . . . 0.0 114.295 -147.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.516 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -151.04 -106.32 0.06 Allowed 'General case' 0 CA--C 1.59 2.519 0 C-N-CA 127.396 2.278 . . . . 0.0 106.022 -166.331 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.291 51.5 m 65.49 170.13 0.21 Allowed 'General case' 0 C--N 1.396 2.621 0 C-N-CA 126.59 1.956 . . . . 0.0 115.385 171.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -70.85 -36.07 72.7 Favored 'General case' 0 C--N 1.399 2.755 0 C-N-CA 119.043 -1.063 . . . . 0.0 110.523 -176.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.526 ' CG ' ' HZ3' ' A' ' 10' ' ' LYS . 86.6 m-20 -60.58 -23.3 64.56 Favored 'General case' 0 C--N 1.391 2.37 0 CA-C-N 119.974 1.261 . . . . 0.0 109.871 175.343 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 72.3 77.82 0.15 Allowed 'General case' 0 C--N 1.394 2.505 0 N-CA-C 104.673 -2.343 . . . . 0.0 104.673 178.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.1 tp -177.26 170.0 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.393 2.493 0 CA-C-N 114.956 -1.02 . . . . 0.0 112.604 -166.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.3 mp -94.56 101.11 12.16 Favored 'Isoleucine or valine' 0 C--N 1.385 2.124 0 N-CA-C 104.205 -2.517 . . . . 0.0 104.205 172.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.569 HH11 ' HG2' ' A' ' 34' ' ' ARG . 3.4 ttp85 -150.27 134.9 17.45 Favored 'General case' 0 C--N 1.385 2.142 0 N-CA-C 104.597 -2.372 . . . . 0.0 104.597 -178.021 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.46 ' HG2' HH11 ' A' ' 35' ' ' ARG . 8.7 ptt-85 -172.52 -174.89 1.25 Allowed 'General case' 0 C--N 1.397 2.64 0 C-N-CA 116.624 -2.03 . . . . 0.0 112.204 -146.473 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 173.46 -168.04 40.86 Favored Glycine 0 C--N 1.394 3.777 0 C-N-CA 114.334 -3.793 . . . . 0.0 118.405 -176.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 56.7 m -71.1 122.59 20.37 Favored 'General case' 0 C--N 1.385 2.144 0 CA-C-N 114.043 -1.078 . . . . 0.0 111.004 -178.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.03 -99.88 0.13 Allowed Glycine 1 C--N 1.403 4.277 0 N-CA-C 105.955 -2.858 . . . . 0.0 105.955 170.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.369 29.0 t 95.75 -165.97 0.0 OUTLIER 'General case' 0 C--N 1.384 2.08 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 172.396 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 64.49 41.95 5.31 Favored 'General case' 0 C--N 1.384 2.074 0 CA-C-N 114.339 -1.3 . . . . 0.0 111.885 166.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.9 t -125.68 75.93 70.17 Favored Pre-proline 0 C--N 1.384 2.088 0 N-CA-C 104.189 -2.523 . . . . 0.0 104.189 175.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -101.99 67.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.402 3.344 0 N-CA-C 105.261 -2.63 . . . . 0.0 105.261 -173.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.09 132.95 5.74 Favored 'General case' 0 C--N 1.384 2.089 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 -178.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.25 -19.65 79.51 Favored Glycine 0 C--N 1.391 3.629 0 CA-C-O 117.877 -1.513 . . . . 0.0 114.178 -177.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -93.97 26.9 3.0 Favored 'General case' 0 C--N 1.384 2.087 0 CA-C-N 120.454 2.127 . . . . 0.0 112.069 -176.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.0 ttt -154.09 91.65 3.13 Favored Pre-proline 0 C--N 1.381 1.935 0 N-CA-C 101.85 -3.389 . . . . 0.0 101.85 171.095 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -64.1 155.61 63.82 Favored 'Trans proline' 0 C--N 1.4 3.271 0 N-CA-C 116.243 1.593 . . . . 0.0 116.243 -172.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -167.8 179.75 40.95 Favored Glycine 0 C--N 1.39 3.56 0 C-N-CA 119.444 -1.36 . . . . 0.0 114.249 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_exo -65.82 -174.76 0.4 Allowed 'Trans proline' 0 C--N 1.393 2.891 0 C-N-CA 123.409 2.739 . . . . 0.0 115.629 172.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -114.97 136.65 52.89 Favored 'General case' 0 C--N 1.389 2.293 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 5.1 m -119.84 161.94 19.96 Favored 'General case' 0 C--N 1.392 2.433 0 N-CA-C 116.573 2.064 . . . . 0.0 116.573 -167.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.6 t -149.97 159.59 44.27 Favored 'General case' 0 C--N 1.386 2.166 0 CA-C-N 114.117 -1.401 . . . . 0.0 110.184 174.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.7 41.64 2.65 Favored 'General case' 0 C--N 1.39 2.369 0 O-C-N 121.677 -0.64 . . . . 0.0 111.498 -175.336 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 t -143.21 164.06 31.23 Favored 'General case' 0 C--N 1.386 2.193 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.516 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 24.3 t0 -61.37 111.38 1.74 Allowed 'General case' 0 C--N 1.389 2.3 0 N-CA-C 105.972 -1.862 . . . . 0.0 105.972 -178.023 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.516 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.291 2.7 mptt 70.86 -63.39 0.42 Allowed 'General case' 0 C--N 1.393 2.479 0 C-N-CA 127.143 2.177 . . . . 0.0 108.716 -173.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.261 6.4 t 73.86 -44.65 0.58 Allowed 'General case' 0 C--N 1.383 2.063 0 C-N-CA 128.186 2.594 . . . . 0.0 109.077 -178.56 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -174.49 62.51 0.02 OUTLIER 'General case' 0 C--N 1.392 2.422 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.574 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 5.7 tp . . . . . 0 CA--C 1.587 2.401 0 N-CA-C 104.464 -2.421 . . . . 0.0 104.464 -177.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 1 N--CA 1.545 4.313 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.4 mt -99.57 133.93 40.66 Favored 'Isoleucine or valine' 0 C--N 1.395 2.551 0 CA-C-N 119.519 1.054 . . . . 0.0 109.065 178.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 67.7 m -145.35 155.38 43.15 Favored 'General case' 0 C--N 1.387 2.204 0 CA-C-O 121.929 0.871 . . . . 0.0 109.668 167.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -68.48 152.42 45.43 Favored 'General case' 0 C--N 1.389 2.319 0 O-C-N 121.415 -0.803 . . . . 0.0 111.52 -177.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -152.54 58.51 0.82 Allowed 'General case' 0 C--N 1.391 2.402 0 N-CA-C 105.306 -2.109 . . . . 0.0 105.306 175.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.187 6.0 m170 -99.21 -150.16 0.37 Allowed 'General case' 0 C--N 1.385 2.148 0 C-N-CA 125.354 1.462 . . . . 0.0 110.246 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.518 ' H ' ' HA ' ' A' ' 11' ' ' PRO 0.266 5.3 mp 65.69 -175.51 0.18 Allowed 'General case' 0 C--N 1.387 2.232 0 CA-C-O 121.935 0.874 . . . . 0.0 113.229 170.452 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.35 -43.05 3.17 Favored Glycine 0 C--N 1.386 3.332 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -172.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.3 m -170.34 -42.5 0.02 OUTLIER 'General case' 0 C--N 1.381 1.965 0 N-CA-C 106.224 -1.769 . . . . 0.0 106.224 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -115.82 109.0 45.77 Favored Pre-proline 0 C--N 1.389 2.307 0 CA-C-O 118.071 -0.966 . . . . 0.0 109.571 -173.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.518 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 85.6 Cg_exo -83.95 3.29 7.72 Favored 'Trans proline' 0 C--N 1.41 3.769 0 N-CA-C 120.421 3.2 . . . . 0.0 120.421 175.375 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -72.41 -13.22 27.78 Favored 'Trans proline' 0 C--N 1.4 3.266 1 N-CA-C 124.217 4.66 . . . . 0.0 124.217 -176.559 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.3 p -113.63 157.85 21.59 Favored 'General case' 0 C--N 1.394 2.509 0 CA-C-N 125.644 3.838 . . . . 0.0 117.4 -174.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.9 p -133.48 146.2 50.9 Favored 'General case' 0 C--N 1.379 1.875 0 CA-C-N 112.132 -2.303 . . . . 0.0 108.088 -177.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -107.72 93.51 4.58 Favored 'General case' 0 C--N 1.379 1.872 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 -166.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.6 m -73.6 99.43 3.07 Favored 'General case' 0 C--N 1.395 2.562 0 N-CA-C 101.634 -3.469 . . . . 0.0 101.634 176.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.4 t -125.4 156.95 37.99 Favored 'General case' 0 C--N 1.394 2.541 0 CA-C-O 124.205 1.955 . . . . 0.0 114.411 -166.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.4 pm0 -91.86 -9.87 41.79 Favored 'General case' 0 C--N 1.377 1.77 0 CA-C-N 111.851 -2.431 . . . . 0.0 112.584 -176.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -71.77 128.64 36.44 Favored 'General case' 0 C--N 1.396 2.589 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 173.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.156 20.1 m-20 -63.94 6.0 0.2 Allowed 'General case' 0 CA--C 1.591 2.528 0 C-N-CA 129.541 3.136 . . . . 0.0 116.027 -174.269 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.9 m -160.98 150.26 16.83 Favored 'General case' 0 C--N 1.382 2.004 0 CA-C-N 120.918 1.69 . . . . 0.0 107.184 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.375 25.8 p -139.25 145.46 39.23 Favored 'General case' 0 C--N 1.39 2.346 0 CA-C-O 123.283 1.516 . . . . 0.0 113.592 -178.487 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -118.59 159.4 23.64 Favored 'General case' 0 C--N 1.391 2.376 0 N-CA-C 115.902 1.816 . . . . 0.0 115.902 -160.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.457 ' NZ ' ' OXT' ' A' ' 59' ' ' LEU . 40.9 mttm -105.57 123.64 48.24 Favored 'General case' 0 C--N 1.387 2.223 0 CA-C-O 123.306 1.526 . . . . 0.0 107.802 -179.068 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.504 ' HA ' ' HE1' ' A' ' 27' ' ' TRP . 18.1 t-20 -118.67 121.95 41.38 Favored 'General case' 0 CA--C 1.575 1.907 0 N-CA-C 103.403 -2.814 . . . . 0.0 103.403 177.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.4 pp -139.23 17.38 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.392 2.45 0 N-CA-C 116.213 1.931 . . . . 0.0 116.213 -159.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.563 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -139.16 -109.22 0.16 Allowed 'General case' 0 CA--C 1.585 2.299 0 C-N-CA 128.75 2.82 . . . . 0.0 105.706 -161.219 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.318 1.8 m 64.36 161.0 0.11 Allowed 'General case' 0 C--N 1.397 2.641 0 C-N-CA 126.205 1.802 . . . . 0.0 114.872 174.043 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -62.65 -41.35 99.0 Favored 'General case' 0 C--N 1.394 2.515 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.204 -178.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -72.06 -0.77 12.56 Favored 'General case' 0 CA--C 1.578 2.033 0 CA-C-O 116.948 -1.501 . . . . 0.0 112.796 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 61.85 70.56 0.58 Allowed 'General case' 0 C--N 1.398 2.711 0 CA-C-N 122.812 2.551 . . . . 0.0 107.233 171.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 tp -166.26 168.82 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.392 2.413 0 C-N-CA 116.988 -1.885 . . . . 0.0 113.69 -172.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 mp -106.78 107.82 23.68 Favored 'Isoleucine or valine' 0 C--N 1.385 2.109 0 N-CA-C 103.371 -2.826 . . . . 0.0 103.371 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.583 HH11 ' HG2' ' A' ' 34' ' ' ARG . 7.5 ttp85 -157.09 84.76 0.94 Allowed 'General case' 0 C--N 1.39 2.339 0 N-CA-C 102.383 -3.192 . . . . 0.0 102.383 -165.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -117.13 -174.08 2.52 Favored 'General case' 0 C--N 1.371 1.534 0 CA-C-N 110.178 -3.192 . . . . 0.0 113.683 -163.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 178.02 -165.08 34.34 Favored Glycine 0 C--N 1.391 3.602 1 C-N-CA 113.565 -4.16 . . . . 0.0 116.346 -170.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.3 p -94.01 118.76 31.95 Favored 'General case' 0 C--N 1.386 2.163 0 CA-C-O 122.513 1.149 . . . . 0.0 109.882 -177.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.63 -96.27 0.11 Allowed Glycine 0 C--N 1.393 3.742 0 N-CA-C 106.276 -2.729 . . . . 0.0 106.276 178.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.38 45.8 t 82.08 -60.45 0.19 Allowed 'General case' 0 C--N 1.385 2.113 0 CA-C-O 121.6 0.715 . . . . 0.0 109.347 -179.387 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -82.16 72.04 9.21 Favored 'General case' 0 C--N 1.382 1.986 0 N-CA-C 102.327 -3.212 . . . . 0.0 102.327 177.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.8 t -111.5 123.27 35.3 Favored Pre-proline 0 C--N 1.389 2.317 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 -174.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -75.6 -176.26 2.88 Favored 'Trans proline' 0 C--N 1.39 2.753 0 CA-C-O 121.998 0.749 . . . . 0.0 111.979 171.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.46 HH11 ' HG3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -125.65 101.16 6.76 Favored 'General case' 0 C--N 1.379 1.857 0 N-CA-C 104.203 -2.517 . . . . 0.0 104.203 177.701 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -87.22 50.38 4.09 Favored Glycine 0 C--N 1.392 3.688 0 N-CA-C 107.87 -2.092 . . . . 0.0 107.87 172.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.363 1.0 OUTLIER 54.58 46.8 24.05 Favored 'General case' 0 C--N 1.383 2.035 0 C-N-CA 125.264 1.426 . . . . 0.0 107.91 -172.688 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 27.6 mtt -136.14 143.05 42.32 Favored Pre-proline 0 C--N 1.388 2.269 0 C-N-CA 126.232 1.813 . . . . 0.0 107.031 174.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_exo -74.07 127.63 11.53 Favored 'Trans proline' 0 C--N 1.396 3.044 0 CA-C-O 121.705 0.627 . . . . 0.0 111.573 -178.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -90.64 163.27 29.65 Favored Glycine 0 C--N 1.392 3.657 0 O-C-N 120.844 -1.16 . . . . 0.0 114.559 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -70.96 -173.76 0.97 Allowed 'Trans proline' 0 C--N 1.392 2.861 0 C-N-CA 123.681 2.921 . . . . 0.0 116.398 178.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -124.8 146.6 49.15 Favored 'General case' 0 C--N 1.389 2.292 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.567 177.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 2.8 m -122.93 167.95 12.91 Favored 'General case' 0 C--N 1.404 2.943 0 N-CA-C 121.521 3.897 . . . . 0.0 121.521 -155.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.9 t -144.13 163.91 32.21 Favored 'General case' 0 C--N 1.386 2.168 0 CA-C-N 112.481 -2.145 . . . . 0.0 110.943 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -128.43 53.55 1.82 Allowed 'General case' 0 C--N 1.383 2.059 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 174.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.2 t -129.98 161.12 31.64 Favored 'General case' 0 C--N 1.384 2.082 0 CA-C-O 122.203 1.002 . . . . 0.0 111.631 -178.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.478 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 30.2 t0 -75.16 116.57 16.03 Favored 'General case' 0 C--N 1.383 2.044 0 N-CA-C 104.574 -2.38 . . . . 0.0 104.574 173.477 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.478 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.289 9.0 mptt 73.42 -38.43 0.41 Allowed 'General case' 0 C--N 1.393 2.467 0 C-N-CA 125.928 1.691 . . . . 0.0 112.348 -179.855 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.1 t 57.46 31.97 21.07 Favored 'General case' 0 CA--C 1.588 2.413 0 CA-C-N 120.922 1.692 . . . . 0.0 108.95 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.255 29.2 t30 70.13 -65.72 0.31 Allowed 'General case' 0 C--N 1.393 2.468 0 C-N-CA 130.517 3.527 . . . . 0.0 108.67 -173.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.457 ' OXT' ' NZ ' ' A' ' 24' ' ' LYS . 23.8 tp . . . . . 0 CA--C 1.58 2.11 1 N-CA-C 99.294 -4.335 . . . . 0.0 99.294 -178.456 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 1 N--CA 1.54 4.051 0 CA-C-O 118.15 -0.929 . . . . 0.0 109.264 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.8 mt -91.85 127.28 44.23 Favored 'Isoleucine or valine' 0 C--N 1.398 2.713 0 CA-C-N 119.836 1.198 . . . . 0.0 109.831 -177.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.0 m -140.87 147.34 38.76 Favored 'General case' 0 C--N 1.391 2.383 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 164.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -77.66 157.61 30.1 Favored 'General case' 0 C--N 1.388 2.271 0 O-C-N 121.038 -1.038 . . . . 0.0 113.775 -169.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -130.81 6.86 4.71 Favored 'General case' 0 C--N 1.387 2.213 0 CA-C-O 117.975 -1.012 . . . . 0.0 112.227 175.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.224 49.5 m-70 -71.17 -159.01 0.04 OUTLIER 'General case' 0 C--N 1.39 2.332 0 C-N-CA 126.382 1.873 . . . . 0.0 113.695 -178.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 mp 71.26 179.11 0.24 Allowed 'General case' 0 C--N 1.39 2.355 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 175.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.05 -46.84 3.67 Favored Glycine 0 C--N 1.389 3.476 0 O-C-N 121.766 -0.584 . . . . 0.0 112.777 -176.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.4 m -172.98 -51.44 0.02 OUTLIER 'General case' 0 C--N 1.379 1.855 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 -173.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.27 141.96 40.38 Favored Pre-proline 0 C--N 1.39 2.331 0 C-N-CA 118.903 -1.119 . . . . 0.0 110.031 -168.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -54.58 152.93 25.32 Favored 'Trans proline' 0 C--N 1.396 3.054 0 C-N-CA 121.594 1.529 . . . . 0.0 113.263 176.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -45.61 137.68 11.59 Favored 'Trans proline' 0 C--N 1.389 2.704 0 C-N-CA 122.742 2.294 . . . . 0.0 115.836 -177.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.259 8.4 p -160.64 124.58 3.53 Favored 'General case' 0 C--N 1.38 1.919 0 N-CA-C 101.719 -3.438 . . . . 0.0 101.719 177.287 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 60.1 p -122.11 144.55 48.86 Favored 'General case' 0 C--N 1.382 1.996 0 CA-C-O 122.521 1.153 . . . . 0.0 110.544 -169.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -97.26 101.98 13.65 Favored 'General case' 0 C--N 1.386 2.177 0 CA-C-N 114.902 -1.044 . . . . 0.0 108.555 -166.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.4 m -77.96 105.99 9.53 Favored 'General case' 0 C--N 1.393 2.458 0 N-CA-C 101.378 -3.564 . . . . 0.0 101.378 169.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -116.81 150.23 38.67 Favored 'General case' 0 C--N 1.386 2.167 0 CA-C-O 122.609 1.195 . . . . 0.0 111.086 -169.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -72.39 -31.97 66.01 Favored 'General case' 0 C--N 1.382 2.018 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.507 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -61.35 129.73 42.67 Favored 'General case' 0 C--N 1.385 2.133 0 CA-C-O 123.737 1.732 . . . . 0.0 108.944 -174.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.078 47.3 m-20 -50.96 -39.86 56.19 Favored 'General case' 0 C--N 1.385 2.15 0 C-N-CA 130.033 3.333 . . . . 0.0 112.379 -178.416 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.4 t -117.55 135.44 53.95 Favored 'General case' 0 C--N 1.384 2.071 0 CA-C-O 123.774 1.75 . . . . 0.0 108.909 -172.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.6 p -139.11 146.21 40.41 Favored 'General case' 0 C--N 1.383 2.031 0 CA-C-O 123.335 1.54 . . . . 0.0 109.568 176.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -123.24 164.89 17.88 Favored 'General case' 0 C--N 1.379 1.857 0 N-CA-C 116.21 1.93 . . . . 0.0 116.21 -163.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.424 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 31.0 mttt -111.91 130.29 55.89 Favored 'General case' 0 C--N 1.387 2.215 0 CA-C-O 123.92 1.819 . . . . 0.0 109.377 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.56 ' H ' ' HB3' ' A' ' 35' ' ' ARG . 19.7 t-20 -125.89 118.74 26.1 Favored 'General case' 0 CA--C 1.575 1.906 0 N-CA-C 103.037 -2.949 . . . . 0.0 103.037 -178.208 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -135.08 -13.93 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.399 2.743 0 N-CA-C 118.369 2.729 . . . . 0.0 118.369 -154.601 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.513 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -82.7 -105.19 0.04 OUTLIER 'General case' 0 CA--C 1.587 2.395 1 C-N-CA 133.839 4.856 . . . . 0.0 106.655 176.959 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.1 t 77.31 161.4 0.22 Allowed 'General case' 0 C--N 1.392 2.446 0 C-N-CA 125.384 1.474 . . . . 0.0 112.958 175.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -68.97 -45.73 69.93 Favored 'General case' 0 C--N 1.39 2.352 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.227 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -66.9 -6.67 17.42 Favored 'General case' 0 CA--C 1.579 2.068 0 CA-C-O 116.695 -1.621 . . . . 0.0 112.854 177.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 65.81 71.05 0.43 Allowed 'General case' 0 C--N 1.397 2.67 0 CA-C-N 123.167 2.712 . . . . 0.0 106.673 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.0 tp -163.26 161.51 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.397 2.664 0 C-N-CA 117.164 -1.814 . . . . 0.0 114.914 -172.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.4 mt -97.54 96.92 5.67 Favored 'Isoleucine or valine' 0 C--N 1.392 2.434 0 N-CA-C 105.95 -1.871 . . . . 0.0 105.95 177.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.16 113.05 8.15 Favored 'General case' 0 C--N 1.384 2.103 0 N-CA-C 103.132 -2.914 . . . . 0.0 103.132 -179.058 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.56 ' HB3' ' H ' ' A' ' 25' ' ' ASN 0.259 0.0 OUTLIER -141.99 -159.74 1.0 Allowed 'General case' 0 C--N 1.383 2.051 0 CA-C-N 113.828 -1.533 . . . . 0.0 112.392 -161.452 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -175.34 -173.66 41.28 Favored Glycine 0 C--N 1.388 3.428 0 C-N-CA 113.907 -3.997 . . . . 0.0 117.357 -174.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.7 p -98.62 125.82 44.01 Favored 'General case' 0 C--N 1.383 2.04 0 CA-C-O 122.528 1.156 . . . . 0.0 109.014 176.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.56 -90.1 0.08 OUTLIER Glycine 0 C--N 1.39 3.57 0 N-CA-C 103.853 -3.699 . . . . 0.0 103.853 178.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.407 34.7 t 77.68 -161.87 0.03 OUTLIER 'General case' 0 C--N 1.382 2.005 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 172.059 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 59.24 37.38 23.74 Favored 'General case' 0 C--N 1.381 1.963 0 CA-C-N 113.315 -1.766 . . . . 0.0 108.837 177.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.9 t -116.22 110.48 43.3 Favored Pre-proline 0 C--N 1.389 2.321 0 N-CA-C 105.466 -2.05 . . . . 0.0 105.466 -179.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -81.91 83.2 2.14 Favored 'Trans proline' 0 C--N 1.401 3.319 0 N-CA-C 105.876 -2.394 . . . . 0.0 105.876 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.66 130.2 34.74 Favored 'General case' 0 C--N 1.39 2.342 0 CA-C-O 122.842 1.306 . . . . 0.0 109.048 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -87.3 -79.53 1.23 Allowed Glycine 0 C--N 1.394 3.751 1 N-CA-C 101.064 -4.814 . . . . 0.0 101.064 163.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -140.11 36.36 1.92 Allowed 'General case' 0 C--N 1.39 2.347 0 CA-C-O 122.218 1.009 . . . . 0.0 109.471 167.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 51.3 mtt -71.85 171.85 8.4 Favored Pre-proline 0 C--N 1.391 2.41 0 C-N-CA 124.295 1.038 . . . . 0.0 111.686 174.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -62.04 111.2 1.17 Allowed 'Trans proline' 0 C--N 1.399 3.226 0 N-CA-C 107.276 -1.856 . . . . 0.0 107.276 172.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -177.44 155.48 17.83 Favored Glycine 0 C--N 1.388 3.46 0 N-CA-C 109.87 -1.292 . . . . 0.0 109.87 -178.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -76.01 -177.7 3.84 Favored 'Trans proline' 0 C--N 1.381 2.266 0 C-N-CA 121.63 1.553 . . . . 0.0 109.529 171.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 25.0 p90 -109.53 125.49 52.56 Favored 'General case' 0 C--N 1.382 1.985 0 N-CA-C 104.155 -2.535 . . . . 0.0 104.155 174.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.2 m -114.97 156.44 25.06 Favored 'General case' 0 C--N 1.399 2.727 0 N-CA-C 116.03 1.863 . . . . 0.0 116.03 -166.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.7 t -124.91 165.57 17.85 Favored 'General case' 0 C--N 1.381 1.969 0 CA-C-N 113.162 -1.836 . . . . 0.0 110.839 175.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -125.48 45.25 2.63 Favored 'General case' 0 C--N 1.381 1.956 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 175.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.1 t -155.48 173.04 17.24 Favored 'General case' 0 C--N 1.392 2.451 0 CA-C-O 121.95 0.881 . . . . 0.0 111.441 178.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.562 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 26.8 t0 -70.53 111.77 6.3 Favored 'General case' 0 C--N 1.384 2.068 0 C-N-CA 125.027 1.331 . . . . 0.0 107.801 -171.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.562 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.267 8.3 mptt 73.99 -58.01 0.6 Allowed 'General case' 0 C--N 1.397 2.659 0 C-N-CA 126.777 2.031 . . . . 0.0 112.358 177.712 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.267 29.4 m 60.38 59.86 2.16 Favored 'General case' 0 C--N 1.375 1.714 0 C-N-CA 127.556 2.342 . . . . 0.0 107.547 -177.131 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 72.95 76.17 0.14 Allowed 'General case' 0 C--N 1.388 2.281 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 169.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.424 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 0.3 OUTLIER . . . . . 0 CA--C 1.59 2.509 0 N-CA-C 105.009 -2.219 . . . . 0.0 105.009 177.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.2 ttm105 . . . . . 1 N--CA 1.54 4.074 0 N-CA-C 104.94 -2.244 . . . . 0.0 104.94 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.9 mp -137.86 136.6 45.4 Favored 'Isoleucine or valine' 0 C--N 1.387 2.228 0 CA-C-N 121.688 2.04 . . . . 0.0 108.664 178.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.4 m -142.59 140.31 31.66 Favored 'General case' 0 C--N 1.387 2.207 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 171.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -84.2 165.92 17.99 Favored 'General case' 0 C--N 1.386 2.191 0 O-C-N 120.445 -1.409 . . . . 0.0 112.39 -172.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -142.86 32.87 1.4 Allowed 'General case' 0 C--N 1.385 2.118 0 C-N-CA 119.585 -0.846 . . . . 0.0 110.107 176.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.205 3.0 m-70 -85.0 -170.32 3.08 Favored 'General case' 0 C--N 1.387 2.217 0 C-N-CA 127.143 2.177 . . . . 0.0 115.885 -175.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.0 mt 81.6 179.15 0.08 Allowed 'General case' 0 C--N 1.389 2.319 0 N-CA-C 116.008 1.855 . . . . 0.0 116.008 173.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.26 27.46 30.57 Favored Glycine 0 C--N 1.39 3.541 0 CA-C-O 117.681 -1.621 . . . . 0.0 113.505 -175.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.1 m 87.16 -40.33 0.03 OUTLIER 'General case' 0 C--N 1.394 2.51 0 C-N-CA 129.964 3.306 . . . . 0.0 108.557 -174.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -64.51 142.15 98.37 Favored Pre-proline 0 CA--C 1.58 2.134 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -54.16 160.99 5.6 Favored 'Trans proline' 0 C--N 1.392 2.842 0 C-N-CA 123.31 2.674 . . . . 0.0 118.189 -176.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -63.17 145.09 93.33 Favored 'Trans proline' 0 C--N 1.394 2.97 0 C-N-CA 120.852 1.035 . . . . 0.0 113.536 178.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.8 p -159.84 146.97 16.49 Favored 'General case' 0 C--N 1.384 2.078 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 72.0 p -138.76 147.77 43.04 Favored 'General case' 0 C--N 1.385 2.143 0 CA-C-O 121.948 0.88 . . . . 0.0 111.646 -174.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -111.36 125.16 53.56 Favored 'General case' 0 C--N 1.386 2.184 0 CA-C-O 122.368 1.08 . . . . 0.0 109.579 -171.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 52.1 m -86.02 116.75 24.43 Favored 'General case' 0 C--N 1.386 2.192 0 N-CA-C 103.695 -2.706 . . . . 0.0 103.695 176.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.0 t -112.9 149.58 32.97 Favored 'General case' 0 C--N 1.389 2.298 0 CA-C-O 125.028 2.347 . . . . 0.0 111.755 -171.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -159.34 41.82 0.22 Allowed 'General case' 0 C--N 1.373 1.614 0 CA-C-N 110.726 -2.943 . . . . 0.0 105.217 174.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -109.51 45.93 1.04 Allowed 'General case' 0 C--N 1.394 2.507 0 N-CA-C 105.91 -1.885 . . . . 0.0 105.91 173.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.357 1.1 m-20 69.86 -37.98 0.39 Allowed 'General case' 0 C--N 1.388 2.26 0 C-N-CA 128.004 2.522 . . . . 0.0 114.331 178.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.0 p -160.83 179.94 8.09 Favored 'General case' 0 C--N 1.385 2.12 0 O-C-N 121.031 -1.043 . . . . 0.0 113.461 -173.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.7 p -150.52 150.62 31.5 Favored 'General case' 0 C--N 1.387 2.207 0 CA-C-O 123.056 1.407 . . . . 0.0 111.737 174.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.4 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 39.0 p90 -117.18 154.15 31.61 Favored 'General case' 0 C--N 1.38 1.893 0 CA-C-N 114.611 -1.177 . . . . 0.0 113.56 -170.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.527 ' NZ ' ' OXT' ' A' ' 59' ' ' LEU . 14.1 tppt? -98.4 126.65 44.01 Favored 'General case' 0 C--N 1.383 2.057 0 C-N-CA 125.966 1.706 . . . . 0.0 106.527 175.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.616 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 8.8 t30 -127.39 131.77 50.25 Favored 'General case' 0 CA--C 1.583 2.238 0 N-CA-C 105.081 -2.192 . . . . 0.0 105.081 -174.407 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -140.34 39.46 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.402 2.89 0 CA-C-O 123.234 1.492 . . . . 0.0 114.275 -151.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.616 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -168.06 -104.77 0.01 OUTLIER 'General case' 0 CA--C 1.588 2.417 0 N-CA-C 105.31 -2.107 . . . . 0.0 105.31 -161.945 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.433 HG22 HD22 ' A' ' 25' ' ' ASN 0.347 1.0 OUTLIER 85.64 -94.09 0.01 OUTLIER 'General case' 0 CA--C 1.589 2.464 0 C-N-CA 125.088 1.355 . . . . 0.0 109.054 168.673 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -157.84 -50.48 0.07 Allowed 'General case' 0 C--N 1.392 2.418 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 178.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . 0.267 9.8 p30 -75.76 24.02 0.12 Allowed 'General case' 0 CA--C 1.591 2.53 0 C-N-CA 124.593 1.157 . . . . 0.0 110.497 173.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.5 t30 35.69 74.39 0.07 Allowed 'General case' 0 C--N 1.398 2.69 1 C-N-CA 132.251 4.22 . . . . 0.0 105.736 175.135 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.6 tp -150.08 154.62 8.77 Favored 'Isoleucine or valine' 0 C--N 1.387 2.199 0 CA-C-O 122.59 1.186 . . . . 0.0 111.779 -169.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.9 mp -79.14 113.85 19.06 Favored 'Isoleucine or valine' 0 C--N 1.39 2.337 0 N-CA-C 103.306 -2.85 . . . . 0.0 103.306 168.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.8 ttp85 -159.62 111.38 2.06 Favored 'General case' 0 C--N 1.38 1.918 0 N-CA-C 101.91 -3.367 . . . . 0.0 101.91 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.461 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -141.41 -170.59 3.12 Favored 'General case' 0 C--N 1.38 1.921 0 CA-C-N 114.047 -1.433 . . . . 0.0 113.796 -161.917 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -176.92 -179.04 47.13 Favored Glycine 0 C--N 1.391 3.584 1 C-N-CA 112.734 -4.555 . . . . 0.0 120.338 -176.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.2 t -69.83 102.33 1.92 Allowed 'General case' 0 C--N 1.38 1.9 0 CA-C-N 110.493 -2.853 . . . . 0.0 108.577 -177.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.5 -111.67 0.26 Allowed Glycine 0 C--N 1.397 3.918 0 N-CA-C 107.421 -2.272 . . . . 0.0 107.421 174.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.488 ' SG ' ' N ' ' A' ' 40' ' ' PHE 2.316 20.7 t 106.04 -170.96 0.0 OUTLIER 'General case' 0 C--N 1.385 2.138 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 176.496 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.488 ' N ' ' SG ' ' A' ' 39' ' ' CYS 0.259 0.1 OUTLIER 59.94 49.14 8.04 Favored 'General case' 0 C--N 1.379 1.881 0 CA-C-N 113.692 -1.595 . . . . 0.0 108.297 172.159 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.5 t -132.71 74.54 74.57 Favored Pre-proline 0 C--N 1.387 2.212 0 N-CA-C 105.086 -2.19 . . . . 0.0 105.086 174.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -86.74 96.26 0.5 Allowed 'Trans proline' 0 C--N 1.404 3.449 0 N-CA-C 105.59 -2.504 . . . . 0.0 105.59 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.443 HH11 ' HG2' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -148.02 151.54 35.9 Favored 'General case' 0 C--N 1.393 2.481 0 CA-C-O 123.157 1.456 . . . . 0.0 114.119 -178.295 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -107.42 -43.43 1.36 Allowed Glycine 0 C--N 1.387 3.416 0 CA-C-N 113.505 -1.679 . . . . 0.0 110.639 174.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -82.54 21.47 0.97 Allowed 'General case' 0 C--N 1.384 2.099 0 C-N-CA 127.041 2.136 . . . . 0.0 114.177 -175.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 18.0 ttm -170.76 109.6 0.42 Allowed Pre-proline 0 C--N 1.373 1.622 0 N-CA-C 101.221 -3.622 . . . . 0.0 101.221 172.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -60.77 133.46 48.17 Favored 'Trans proline' 0 C--N 1.398 3.16 0 CA-C-O 122.661 1.026 . . . . 0.0 113.106 -171.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -124.89 168.32 17.02 Favored Glycine 0 C--N 1.392 3.659 0 CA-C-N 115.284 -0.871 . . . . 0.0 114.535 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -82.69 178.42 6.11 Favored 'Trans proline' 0 C--N 1.387 2.563 0 C-N-CA 122.779 2.319 . . . . 0.0 110.02 176.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -117.27 146.61 43.19 Favored 'General case' 0 C--N 1.388 2.266 0 CA-C-O 118.652 -0.69 . . . . 0.0 110.151 179.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 4.1 m -135.6 162.77 31.77 Favored 'General case' 0 C--N 1.405 2.995 0 N-CA-C 120.258 3.429 . . . . 0.0 120.258 -162.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.0 t -142.1 152.14 42.98 Favored 'General case' 0 C--N 1.39 2.348 0 CA-C-N 113.27 -1.786 . . . . 0.0 110.881 179.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -123.89 51.65 1.52 Allowed 'General case' 0 C--N 1.388 2.273 0 O-C-N 121.391 -0.818 . . . . 0.0 110.827 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 54.3 p -152.45 169.76 21.79 Favored 'General case' 0 C--N 1.381 1.975 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.596 177.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -66.95 110.33 3.31 Favored 'General case' 0 CA--C 1.589 2.455 0 CA-C-O 122.867 1.318 . . . . 0.0 109.745 -167.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.314 0.0 OUTLIER 69.85 -70.7 0.14 Allowed 'General case' 0 C--N 1.396 2.597 0 C-N-CA 129.655 3.182 . . . . 0.0 111.5 -175.42 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 16.3 m 78.93 -47.87 0.42 Allowed 'General case' 0 C--N 1.382 2.015 0 C-N-CA 127.491 2.316 . . . . 0.0 109.52 -173.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -162.1 69.7 0.29 Allowed 'General case' 0 C--N 1.389 2.3 0 N-CA-C 105.371 -2.085 . . . . 0.0 105.371 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.527 ' OXT' ' NZ ' ' A' ' 24' ' ' LYS . 3.3 mm? . . . . . 0 CA--C 1.598 2.812 0 CA-C-O 115.579 -2.153 . . . . 0.0 109.63 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.41 ' HG3' HH11 ' A' ' 1' ' ' ARG . 35.3 mtt85 . . . . . 0 N--CA 1.532 3.634 0 N-CA-C 106.388 -1.708 . . . . 0.0 106.388 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.3 mp -140.04 128.91 27.02 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.107 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 177.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.3 m -137.68 151.97 48.81 Favored 'General case' 0 CA--C 1.594 2.662 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 168.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -111.58 148.22 33.76 Favored 'General case' 0 C--N 1.397 2.633 0 O-C-N 120.859 -1.151 . . . . 0.0 114.044 -165.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -123.43 24.03 8.78 Favored 'General case' 0 C--N 1.383 2.036 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.357 -176.433 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.212 58.1 m-70 -86.27 -153.48 0.19 Allowed 'General case' 0 C--N 1.39 2.369 0 C-N-CA 128.469 2.708 . . . . 0.0 113.334 177.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.261 32.9 mt 67.16 -174.17 0.19 Allowed 'General case' 0 C--N 1.39 2.355 0 CA-C-O 121.901 0.858 . . . . 0.0 110.798 -178.499 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.12 -71.35 3.0 Favored Glycine 0 C--N 1.384 3.197 0 N-CA-C 104.865 -3.294 . . . . 0.0 104.865 -166.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.8 m 173.81 -45.99 0.01 OUTLIER 'General case' 0 C--N 1.391 2.394 0 C-N-CA 125.096 1.358 . . . . 0.0 107.776 177.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -52.03 153.17 4.87 Favored Pre-proline 0 CA--C 1.587 2.384 0 CA-C-O 121.636 0.731 . . . . 0.0 110.22 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -55.66 159.44 11.27 Favored 'Trans proline' 0 C--N 1.399 3.226 0 N-CA-C 116.258 1.599 . . . . 0.0 116.258 -171.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -68.37 144.31 61.37 Favored 'Trans proline' 0 C--N 1.399 3.194 0 CA-C-O 124.116 1.632 . . . . 0.0 115.645 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.2 p -146.69 129.32 16.07 Favored 'General case' 0 C--N 1.378 1.813 0 N-CA-C 102.874 -3.01 . . . . 0.0 102.874 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 46.3 p -132.87 145.99 51.42 Favored 'General case' 0 C--N 1.38 1.924 0 O-C-N 121.169 -0.957 . . . . 0.0 109.513 -168.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -107.16 95.26 5.59 Favored 'General case' 0 C--N 1.381 1.968 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 -172.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.4 m -79.44 106.4 11.45 Favored 'General case' 0 C--N 1.393 2.47 0 N-CA-C 102.014 -3.328 . . . . 0.0 102.014 166.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.0 t -119.19 155.83 30.96 Favored 'General case' 0 C--N 1.385 2.115 0 C-N-CA 124.211 1.004 . . . . 0.0 111.827 -174.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.91 42.47 2.17 Favored 'General case' 0 C--N 1.376 1.742 0 C-N-CA 125.73 1.612 . . . . 0.0 111.227 -177.317 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -119.34 158.74 25.52 Favored 'General case' 0 C--N 1.389 2.286 0 CA-C-O 122.327 1.061 . . . . 0.0 113.862 -176.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.087 1.3 m-20 -45.94 -49.24 16.0 Favored 'General case' 0 C--N 1.384 2.095 0 C-N-CA 128.573 2.749 . . . . 0.0 109.363 178.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 65.9 m -131.94 145.05 51.26 Favored 'General case' 0 C--N 1.392 2.427 0 CA-C-O 123.397 1.57 . . . . 0.0 113.108 -175.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.337 12.1 p -135.66 137.46 41.84 Favored 'General case' 0 C--N 1.385 2.152 0 CA-C-O 123.759 1.742 . . . . 0.0 108.154 167.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -119.25 160.1 22.83 Favored 'General case' 0 C--N 1.379 1.863 0 CA-C-N 113.659 -1.61 . . . . 0.0 114.582 -161.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -101.12 126.98 47.87 Favored 'General case' 0 C--N 1.386 2.16 0 CA-C-N 112.575 -2.102 . . . . 0.0 107.547 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.582 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 17.7 t-20 -118.97 126.29 51.4 Favored 'General case' 0 CA--C 1.579 2.084 0 N-CA-C 102.753 -3.054 . . . . 0.0 102.753 179.605 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.7 -11.64 3.7 Favored 'Isoleucine or valine' 0 C--N 1.401 2.814 0 N-CA-C 117.859 2.54 . . . . 0.0 117.859 -150.593 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.582 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -94.22 -107.43 0.13 Allowed 'General case' 0 CA--C 1.588 2.436 1 C-N-CA 133.594 4.758 . . . . 0.0 107.973 -174.254 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.5 t 77.2 151.87 0.13 Allowed 'General case' 0 C--N 1.39 2.367 0 C-N-CA 125.959 1.704 . . . . 0.0 114.104 173.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -56.93 -40.49 76.45 Favored 'General case' 0 C--N 1.393 2.478 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.792 175.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -80.09 4.05 18.46 Favored 'General case' 0 CA--C 1.575 1.937 0 C-N-CA 126.38 1.872 . . . . 0.0 112.915 -176.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 62.83 68.68 0.63 Allowed 'General case' 0 C--N 1.399 2.755 0 CA-C-N 122.851 2.569 . . . . 0.0 106.278 174.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 tp -166.18 162.99 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.394 2.533 0 C-N-CA 116.358 -2.137 . . . . 0.0 114.128 -170.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 74.7 mt -98.88 105.9 18.06 Favored 'Isoleucine or valine' 0 C--N 1.389 2.288 0 N-CA-C 103.956 -2.609 . . . . 0.0 103.956 175.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.543 HH11 ' HG2' ' A' ' 34' ' ' ARG . 6.3 ttp85 -142.13 113.21 7.53 Favored 'General case' 0 C--N 1.387 2.228 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 -171.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.11 -170.76 3.49 Favored 'General case' 0 C--N 1.397 2.673 0 N-CA-C 115.28 1.585 . . . . 0.0 115.28 -153.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 179.18 -163.82 31.6 Favored Glycine 0 C--N 1.397 3.956 0 C-N-CA 114.328 -3.796 . . . . 0.0 117.526 -169.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.8 p -95.55 118.37 32.14 Favored 'General case' 0 C--N 1.395 2.576 0 CA-C-O 123.334 1.54 . . . . 0.0 111.421 -176.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.21 -98.69 0.11 Allowed Glycine 0 C--N 1.393 3.717 0 N-CA-C 105.089 -3.204 . . . . 0.0 105.089 176.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.359 8.1 t 74.99 -150.73 0.04 OUTLIER 'General case' 0 C--N 1.39 2.327 0 C-N-CA 118.658 -1.217 . . . . 0.0 111.529 -178.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 59.78 42.38 16.79 Favored 'General case' 0 C--N 1.382 1.999 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.21 178.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 82.6 p -86.78 128.49 56.1 Favored Pre-proline 0 C--N 1.391 2.379 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 176.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -75.98 -173.13 1.55 Allowed 'Trans proline' 0 C--N 1.398 3.179 0 CA-C-N 119.803 0.965 . . . . 0.0 113.053 174.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -83.98 78.48 9.74 Favored 'General case' 0 C--N 1.393 2.484 0 N-CA-C 104.421 -2.437 . . . . 0.0 104.421 176.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -82.26 172.51 52.61 Favored Glycine 0 C--N 1.385 3.301 0 C-N-CA 120.876 -0.678 . . . . 0.0 111.531 168.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -107.86 46.25 0.96 Allowed 'General case' 0 CA--C 1.57 1.747 0 N-CA-C 105.057 -2.201 . . . . 0.0 105.057 175.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.3 ptt? -140.81 150.65 60.51 Favored Pre-proline 0 CA--C 1.579 2.082 0 C-N-CA 126.19 1.796 . . . . 0.0 109.712 -174.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -71.48 140.23 36.03 Favored 'Trans proline' 0 C--N 1.398 3.162 0 CA-C-O 122.17 0.821 . . . . 0.0 113.606 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -140.94 162.5 26.72 Favored Glycine 0 C--N 1.391 3.632 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.742 178.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -70.36 174.64 9.74 Favored 'Trans proline' 0 C--N 1.389 2.706 0 C-N-CA 120.829 1.019 . . . . 0.0 114.535 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.435 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -101.62 122.4 43.79 Favored 'General case' 0 CA--C 1.579 2.074 0 N-CA-C 104.789 -2.3 . . . . 0.0 104.789 178.433 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.11 156.37 25.34 Favored 'General case' 0 C--N 1.396 2.587 0 O-C-N 120.693 -1.254 . . . . 0.0 114.349 -169.317 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.3 t -136.67 162.92 31.82 Favored 'General case' 0 C--N 1.383 2.031 0 CA-C-N 114.13 -1.395 . . . . 0.0 111.539 -175.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -133.04 48.04 2.44 Favored 'General case' 0 C--N 1.385 2.128 0 CA-C-O 121.739 0.781 . . . . 0.0 110.053 -178.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.42 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 23.6 t -143.6 153.24 42.33 Favored 'General case' 0 C--N 1.382 1.985 0 C-N-CA 125.227 1.411 . . . . 0.0 107.88 177.308 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.521 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 42.2 t0 -64.8 125.78 25.87 Favored 'General case' 0 CA--C 1.584 2.26 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 -178.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.521 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.288 2.4 mptt 73.71 -60.0 0.54 Allowed 'General case' 0 C--N 1.398 2.693 0 C-N-CA 127.588 2.355 . . . . 0.0 111.88 -178.367 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 54' ' ' SER . 73.3 m 62.15 50.45 3.96 Favored 'General case' 0 C--N 1.38 1.921 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 -171.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 41.2 t30 64.71 83.51 0.17 Allowed 'General case' 0 C--N 1.391 2.405 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 44.7 mt . . . . . 0 CA--C 1.6 2.882 0 C-N-CA 125.847 1.659 . . . . 0.0 109.249 177.141 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 1 N--CA 1.544 4.239 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.2 mp -83.59 127.47 39.71 Favored 'Isoleucine or valine' 0 C--N 1.398 2.705 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 178.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.1 m -144.17 139.97 29.09 Favored 'General case' 0 C--N 1.387 2.222 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 173.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -82.89 164.58 20.4 Favored 'General case' 0 C--N 1.386 2.178 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -166.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -149.33 49.34 0.96 Allowed 'General case' 0 C--N 1.389 2.308 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 173.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.211 13.0 m170 -89.52 -149.89 0.2 Allowed 'General case' 0 C--N 1.386 2.194 0 C-N-CA 125.659 1.584 . . . . 0.0 109.874 177.267 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.585 HD13 HD11 ' A' ' 32' ' ' ILE . 11.4 mt 64.0 -172.57 0.17 Allowed 'General case' 0 C--N 1.383 2.03 0 CA-C-O 122.212 1.006 . . . . 0.0 112.584 174.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.52 -47.33 3.03 Favored Glycine 0 C--N 1.386 3.336 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -173.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.6 m 178.16 -37.79 0.01 OUTLIER 'General case' 0 C--N 1.385 2.149 0 C-N-CA 126.967 2.107 . . . . 0.0 105.992 -177.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -106.68 122.62 41.25 Favored Pre-proline 0 C--N 1.386 2.153 0 C-N-CA 126.477 1.911 . . . . 0.0 110.507 -174.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -88.55 2.41 6.14 Favored 'Trans proline' 0 C--N 1.407 3.63 0 N-CA-C 120.928 3.395 . . . . 0.0 120.928 176.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -82.4 -23.37 4.24 Favored 'Trans proline' 0 C--N 1.405 3.537 1 N-CA-C 126.492 5.536 . . . . 0.0 126.492 -173.162 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.9 p -84.56 129.49 34.84 Favored 'General case' 0 C--N 1.394 2.526 0 CA-C-N 125.483 3.765 . . . . 0.0 113.166 -176.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 78.0 p -123.37 142.55 50.86 Favored 'General case' 0 C--N 1.379 1.888 0 C-N-CA 127.881 2.472 . . . . 0.0 106.41 171.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -113.62 102.13 9.99 Favored 'General case' 0 C--N 1.381 1.956 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 -170.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 t -69.13 122.08 18.05 Favored 'General case' 0 C--N 1.4 2.766 0 N-CA-C 103.476 -2.787 . . . . 0.0 103.476 169.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.1 t -137.19 148.12 46.34 Favored 'General case' 0 C--N 1.39 2.327 0 CA-C-O 124.592 2.139 . . . . 0.0 112.191 -172.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.5 pm0 -94.74 -6.54 42.87 Favored 'General case' 0 C--N 1.374 1.649 0 CA-C-N 112.053 -2.34 . . . . 0.0 111.091 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -68.67 114.94 7.48 Favored 'General case' 0 C--N 1.393 2.486 0 N-CA-C 103.069 -2.937 . . . . 0.0 103.069 175.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.183 70.9 m-20 -60.32 1.47 0.12 Allowed 'General case' 0 C--N 1.388 2.242 0 C-N-CA 127.584 2.354 . . . . 0.0 113.667 -177.506 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.9 p -147.57 144.03 28.18 Favored 'General case' 0 C--N 1.382 1.997 0 N-CA-C 106.517 -1.661 . . . . 0.0 106.517 175.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.4 p -136.33 149.84 48.58 Favored 'General case' 0 C--N 1.381 1.96 0 CA-C-O 123.894 1.807 . . . . 0.0 111.12 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.403 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 40.2 p90 -116.62 150.67 37.7 Favored 'General case' 0 C--N 1.378 1.843 0 CA-C-N 112.845 -1.98 . . . . 0.0 114.134 -163.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.481 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -116.19 116.26 27.49 Favored 'General case' 0 C--N 1.388 2.264 0 CA-C-O 124.066 1.889 . . . . 0.0 106.798 179.72 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -117.32 107.92 14.97 Favored 'General case' 0 CA--C 1.584 2.276 0 N-CA-C 101.922 -3.362 . . . . 0.0 101.922 -175.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -109.25 -25.25 3.67 Favored 'Isoleucine or valine' 0 C--N 1.398 2.714 0 N-CA-C 118.531 2.789 . . . . 0.0 118.531 -157.568 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.605 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -73.54 -102.13 0.01 OUTLIER 'General case' 0 CA--C 1.584 2.286 1 C-N-CA 134.577 5.151 . . . . 0.0 107.675 177.559 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.1 t 77.45 159.27 0.2 Allowed 'General case' 0 C--N 1.392 2.45 0 C-N-CA 125.367 1.467 . . . . 0.0 112.322 177.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -73.59 -35.53 65.42 Favored 'General case' 0 C--N 1.389 2.31 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.578 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.467 ' CG ' HH21 ' A' ' 34' ' ' ARG . 42.0 p-10 -79.17 3.38 17.89 Favored 'General case' 0 CA--C 1.586 2.34 0 C-N-CA 125.367 1.467 . . . . 0.0 112.116 174.04 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 64.27 69.75 0.52 Allowed 'General case' 0 C--N 1.396 2.612 0 C-N-CA 127.08 2.152 . . . . 0.0 109.323 169.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.585 HD11 HD13 ' A' ' 7' ' ' LEU . 3.4 tp -168.09 163.53 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.392 2.428 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 -174.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.6 mt -84.35 102.71 10.7 Favored 'Isoleucine or valine' 0 C--N 1.391 2.409 0 N-CA-C 105.191 -2.151 . . . . 0.0 105.191 170.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.583 HH11 ' HG2' ' A' ' 34' ' ' ARG . 1.7 ttp85 -146.0 111.67 5.54 Favored 'General case' 0 C--N 1.383 2.038 0 N-CA-C 102.084 -3.302 . . . . 0.0 102.084 -179.025 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.6 -167.84 2.26 Favored 'General case' 0 C--N 1.393 2.458 0 CA-C-N 113.663 -1.608 . . . . 0.0 112.571 -155.613 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 175.22 -165.41 36.41 Favored Glycine 0 C--N 1.391 3.616 0 C-N-CA 114.221 -3.847 . . . . 0.0 118.021 -175.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.8 p -85.55 122.01 29.06 Favored 'General case' 0 C--N 1.386 2.156 0 CA-C-O 122.363 1.078 . . . . 0.0 111.154 -177.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.41 -102.1 0.15 Allowed Glycine 0 C--N 1.397 3.935 0 N-CA-C 106.551 -2.62 . . . . 0.0 106.551 175.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.353 0.5 OUTLIER 77.6 -160.5 0.03 OUTLIER 'General case' 0 C--N 1.39 2.354 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 175.456 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 52.63 51.23 16.48 Favored 'General case' 0 C--N 1.386 2.167 0 N-CA-C 105.249 -2.13 . . . . 0.0 105.249 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 58.3 p -71.24 133.37 85.54 Favored Pre-proline 0 C--N 1.394 2.521 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 -175.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_exo -56.78 119.89 7.42 Favored 'Trans proline' 0 C--N 1.398 3.145 0 N-CA-C 109.376 -1.048 . . . . 0.0 109.376 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.439 HH11 ' HG3' ' A' ' 43' ' ' ARG . 33.6 tpt85 -87.62 64.29 7.99 Favored 'General case' 0 C--N 1.395 2.557 0 N-CA-C 105.783 -1.932 . . . . 0.0 105.783 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -109.38 40.64 2.48 Favored Glycine 0 C--N 1.387 3.41 0 N-CA-C 107.984 -2.046 . . . . 0.0 107.984 169.192 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.285 2.3 m-20 66.52 45.12 2.16 Favored 'General case' 0 C--N 1.385 2.147 0 C-N-CA 125.768 1.627 . . . . 0.0 108.413 -177.648 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.6 ttm -125.72 108.66 25.69 Favored Pre-proline 0 CA--C 1.586 2.343 0 N-CA-C 105.008 -2.219 . . . . 0.0 105.008 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -79.29 179.18 6.64 Favored 'Trans proline' 0 C--N 1.399 3.204 0 N-CA-C 116.152 1.559 . . . . 0.0 116.152 -177.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -155.6 179.92 31.19 Favored Glycine 0 C--N 1.39 3.566 0 C-N-CA 119.656 -1.259 . . . . 0.0 114.43 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.403 ' HB2' ' HB2' ' A' ' 23' ' ' TYR 0.25 16.8 Cg_exo -52.51 171.07 0.22 Allowed 'Trans proline' 0 C--N 1.394 2.947 0 C-N-CA 122.602 2.201 . . . . 0.0 112.252 164.127 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . 0.34 29.9 p90 -81.23 126.76 31.92 Favored 'General case' 0 C--N 1.389 2.322 0 C-N-CA 116.071 -2.252 . . . . 0.0 105.6 176.462 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 43.1 t -119.26 132.87 55.97 Favored 'General case' 0 C--N 1.389 2.292 0 CA-C-O 122.423 1.106 . . . . 0.0 110.93 -166.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 9.9 t -120.53 161.1 21.87 Favored 'General case' 0 C--N 1.386 2.161 0 C-N-CA 124.494 1.118 . . . . 0.0 112.266 -178.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -129.61 50.97 2.11 Favored 'General case' 0 C--N 1.384 2.107 0 CA-C-O 121.9 0.857 . . . . 0.0 110.484 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.1 t -147.58 -174.36 4.52 Favored 'General case' 0 C--N 1.384 2.079 0 CA-C-O 122.076 0.941 . . . . 0.0 109.904 175.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.506 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 25.5 t0 -72.4 111.11 7.3 Favored 'General case' 0 CA--C 1.59 2.502 0 N-CA-C 107.07 -1.456 . . . . 0.0 107.07 -173.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.506 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.294 10.0 mptt 76.12 -72.52 0.1 Allowed 'General case' 0 C--N 1.4 2.782 0 C-N-CA 125.843 1.657 . . . . 0.0 110.977 176.042 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 43.5 m 66.15 63.0 0.57 Allowed 'General case' 0 C--N 1.38 1.894 0 C-N-CA 125.501 1.52 . . . . 0.0 107.701 -178.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 13.1 t30 62.74 79.53 0.26 Allowed 'General case' 0 C--N 1.389 2.285 0 N-CA-C 105.95 -1.87 . . . . 0.0 105.95 175.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.481 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 57.9 mt . . . . . 0 CA--C 1.595 2.699 0 C-N-CA 124.958 1.303 . . . . 0.0 108.427 177.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 1 N--CA 1.543 4.185 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.4 mp -107.69 133.61 51.95 Favored 'Isoleucine or valine' 0 C--N 1.387 2.204 0 CA-C-O 122.334 1.064 . . . . 0.0 109.464 -178.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 91.9 m -139.57 168.54 19.59 Favored 'General case' 0 C--N 1.385 2.145 0 CA-C-O 122.391 1.091 . . . . 0.0 109.081 163.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -78.78 145.19 34.49 Favored 'General case' 0 C--N 1.377 1.792 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.145 -177.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -133.3 31.66 3.76 Favored 'General case' 0 C--N 1.386 2.184 0 O-C-N 121.242 -0.911 . . . . 0.0 110.86 174.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.196 1.8 m-70 -78.38 -168.41 1.33 Allowed 'General case' 0 C--N 1.385 2.141 0 C-N-CA 125.048 1.339 . . . . 0.0 114.222 -177.724 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 54.6 mt 69.86 -179.3 0.23 Allowed 'General case' 0 C--N 1.389 2.301 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 172.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.18 20.41 55.17 Favored Glycine 0 C--N 1.385 3.295 0 CA-C-O 117.186 -1.897 . . . . 0.0 113.816 -174.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.3 m 106.37 -37.54 0.01 OUTLIER 'General case' 0 C--N 1.393 2.462 0 C-N-CA 130.532 3.533 . . . . 0.0 110.115 176.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -84.96 162.17 50.47 Favored Pre-proline 0 C--N 1.383 2.047 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -177.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -71.51 164.72 34.78 Favored 'Trans proline' 0 C--N 1.4 3.284 0 N-CA-C 117.051 1.904 . . . . 0.0 117.051 -168.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.8 OUTLIER -53.32 142.54 56.82 Favored 'Trans proline' 0 C--N 1.395 3.01 0 C-N-CA 123.146 2.564 . . . . 0.0 116.059 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.265 70.6 p -167.08 155.23 9.6 Favored 'General case' 0 C--N 1.39 2.354 0 C-N-CA 125.205 1.402 . . . . 0.0 108.02 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.6 p -132.92 149.27 52.26 Favored 'General case' 0 C--N 1.38 1.912 0 CA-C-O 123.148 1.452 . . . . 0.0 109.035 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -111.84 87.03 2.46 Favored 'General case' 0 C--N 1.378 1.846 0 N-CA-C 105.689 -1.967 . . . . 0.0 105.689 -167.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.6 m -79.78 101.77 8.66 Favored 'General case' 0 C--N 1.392 2.447 0 N-CA-C 103.585 -2.746 . . . . 0.0 103.585 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 39.6 t -125.82 164.64 20.25 Favored 'General case' 0 C--N 1.39 2.334 0 CA-C-O 123.081 1.42 . . . . 0.0 114.732 -165.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -85.58 -23.2 27.72 Favored 'General case' 0 C--N 1.38 1.935 0 CA-C-N 113.555 -1.657 . . . . 0.0 113.321 -176.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -71.86 137.78 47.75 Favored 'General case' 0 C--N 1.388 2.257 0 CA-C-O 123.264 1.507 . . . . 0.0 109.195 -175.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.15 30.3 m-20 -46.4 -50.47 16.59 Favored 'General case' 0 C--N 1.384 2.095 0 C-N-CA 128.983 2.913 . . . . 0.0 111.063 -175.265 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.9 t -116.73 140.22 49.67 Favored 'General case' 0 C--N 1.381 1.946 0 CA-C-O 123.854 1.788 . . . . 0.0 109.986 -172.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.5 p -134.34 147.68 50.6 Favored 'General case' 0 C--N 1.383 2.025 0 CA-C-O 123.503 1.62 . . . . 0.0 109.853 177.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -122.12 165.94 15.31 Favored 'General case' 0 C--N 1.381 1.938 0 N-CA-C 116.661 2.097 . . . . 0.0 116.661 -160.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.463 ' NZ ' ' OXT' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -114.49 116.07 28.26 Favored 'General case' 0 C--N 1.385 2.141 0 CA-C-N 112.83 -1.987 . . . . 0.0 106.675 -178.734 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.617 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 3.8 t30 -118.27 121.92 41.65 Favored 'General case' 0 C--N 1.382 1.991 0 N-CA-C 103.925 -2.62 . . . . 0.0 103.925 -179.26 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -132.51 -27.1 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.403 2.919 0 N-CA-C 117.649 2.463 . . . . 0.0 117.649 -154.372 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.617 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -69.1 -114.28 0.0 OUTLIER 'General case' 0 CA--C 1.603 2.985 1 C-N-CA 133.21 4.604 . . . . 0.0 108.52 173.399 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.1 t 81.8 154.12 0.11 Allowed 'General case' 0 C--N 1.396 2.62 0 C-N-CA 126.32 1.848 . . . . 0.0 112.613 178.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.5 p90 -69.09 -31.99 71.11 Favored 'General case' 0 C--N 1.397 2.642 0 O-C-N 121.611 -0.681 . . . . 0.0 110.811 176.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -76.93 -4.54 44.43 Favored 'General case' 0 CA--C 1.579 2.069 0 CA-C-O 117.504 -1.236 . . . . 0.0 111.315 173.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.4 t30 58.16 73.68 0.46 Allowed 'General case' 0 C--N 1.397 2.632 0 CA-C-N 121.97 2.168 . . . . 0.0 105.345 176.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.4 tp -158.56 153.67 5.64 Favored 'Isoleucine or valine' 0 C--N 1.389 2.29 0 C-N-CA 118.765 -1.174 . . . . 0.0 111.602 -170.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -89.22 121.72 39.69 Favored 'Isoleucine or valine' 0 C--N 1.39 2.35 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 175.564 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.51 HH11 ' HG2' ' A' ' 34' ' ' ARG . 7.1 ttp85 -163.36 95.59 0.84 Allowed 'General case' 0 C--N 1.387 2.209 0 N-CA-C 101.453 -3.536 . . . . 0.0 101.453 -173.532 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.56 ' HG2' HH11 ' A' ' 35' ' ' ARG . 11.9 ptt-85 -138.93 -169.71 2.7 Favored 'General case' 0 C--N 1.378 1.836 0 CA-C-N 111.505 -2.589 . . . . 0.0 112.005 -159.414 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 165.21 -165.3 37.68 Favored Glycine 0 C--N 1.394 3.751 0 C-N-CA 114.255 -3.831 . . . . 0.0 119.126 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.6 p -81.83 127.05 32.58 Favored 'General case' 0 C--N 1.393 2.488 0 CA-C-O 123.418 1.58 . . . . 0.0 110.982 -178.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.73 -75.62 0.04 OUTLIER Glycine 0 C--N 1.387 3.416 0 N-CA-C 103.963 -3.655 . . . . 0.0 103.963 171.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.478 ' SG ' ' N ' ' A' ' 40' ' ' PHE 2.426 52.6 t 72.0 -173.33 0.16 Allowed 'General case' 0 C--N 1.383 2.026 0 CA-C-N 112.165 -2.018 . . . . 0.0 113.167 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.478 ' N ' ' SG ' ' A' ' 39' ' ' CYS . 4.3 m-85 66.57 38.47 4.09 Favored 'General case' 0 CA--C 1.572 1.8 0 CA-C-N 113.474 -1.694 . . . . 0.0 110.351 170.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.5 t -106.89 111.73 63.64 Favored Pre-proline 0 C--N 1.389 2.319 0 N-CA-C 102.666 -3.087 . . . . 0.0 102.666 171.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.28 130.18 11.8 Favored 'Trans proline' 0 C--N 1.396 3.03 0 C-N-CA 121.907 1.738 . . . . 0.0 108.475 -175.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.503 HH11 ' HG3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -165.44 139.27 4.64 Favored 'General case' 0 C--N 1.394 2.517 0 C-N-CA 117.836 -1.546 . . . . 0.0 112.386 -177.484 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -84.05 -75.11 1.21 Allowed Glycine 0 C--N 1.391 3.601 1 N-CA-C 102.652 -4.179 . . . . 0.0 102.652 167.417 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.252 1.8 t0 -142.93 63.6 1.38 Allowed 'General case' 0 C--N 1.389 2.292 0 N-CA-C 104.007 -2.59 . . . . 0.0 104.007 164.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.0 ttm -102.28 165.1 14.44 Favored Pre-proline 0 C--N 1.385 2.146 0 C-N-CA 126.767 2.027 . . . . 0.0 109.293 176.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -58.75 152.53 56.06 Favored 'Trans proline' 0 C--N 1.398 3.135 0 CA-C-O 123.485 1.369 . . . . 0.0 113.575 -175.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.6 162.6 18.4 Favored Glycine 0 C--N 1.383 3.157 0 CA-C-N 113.564 -1.653 . . . . 0.0 109.864 -175.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -80.56 159.25 22.22 Favored 'Trans proline' 0 C--N 1.38 2.223 0 CA-C-O 123.078 1.199 . . . . 0.0 113.492 -175.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -82.2 142.82 31.85 Favored 'General case' 0 C--N 1.388 2.28 0 CA-C-N 113.757 -1.565 . . . . 0.0 108.161 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.7 m -127.93 152.6 47.68 Favored 'General case' 0 C--N 1.389 2.316 0 CA-C-O 123.859 1.79 . . . . 0.0 115.54 -172.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 8.7 t -126.03 164.41 20.91 Favored 'General case' 0 C--N 1.377 1.77 0 CA-C-N 112.117 -2.31 . . . . 0.0 108.444 170.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -127.21 34.07 4.79 Favored 'General case' 0 C--N 1.377 1.773 0 O-C-N 121.403 -0.811 . . . . 0.0 110.452 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.2 t -129.41 170.58 13.49 Favored 'General case' 0 C--N 1.378 1.825 0 C-N-CA 124.294 1.038 . . . . 0.0 110.208 178.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.481 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 43.3 t0 -76.65 122.05 24.12 Favored 'General case' 0 C--N 1.391 2.377 0 C-N-CA 117.816 -1.554 . . . . 0.0 108.039 -169.65 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.481 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 28.3 mmtm 74.11 -56.37 0.64 Allowed 'General case' 0 C--N 1.391 2.41 0 C-N-CA 126.448 1.899 . . . . 0.0 109.174 178.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 29.9 t 47.53 57.1 6.21 Favored 'General case' 0 C--N 1.382 2.018 0 C-N-CA 128.761 2.824 . . . . 0.0 106.694 176.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 69.6 71.09 0.24 Allowed 'General case' 0 C--N 1.388 2.258 0 C-N-CA 124.869 1.268 . . . . 0.0 109.018 171.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.463 ' OXT' ' NZ ' ' A' ' 24' ' ' LYS . 25.2 mt . . . . . 0 CA--C 1.61 3.282 0 C-N-CA 126.499 1.92 . . . . 0.0 114.9 164.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.532 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.533 3.715 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 36.2 mt -90.05 131.24 37.81 Favored 'Isoleucine or valine' 0 C--N 1.392 2.415 0 CA-C-O 122.646 1.213 . . . . 0.0 108.93 -177.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.7 p -141.7 140.65 33.22 Favored 'General case' 0 C--N 1.381 1.972 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 167.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -75.84 -174.4 2.6 Favored 'General case' 0 C--N 1.394 2.537 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -167.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -155.22 47.15 0.52 Allowed 'General case' 0 C--N 1.387 2.223 0 N-CA-C 105.817 -1.919 . . . . 0.0 105.817 171.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.185 24.3 m170 -87.81 -144.61 0.13 Allowed 'General case' 0 C--N 1.388 2.257 0 C-N-CA 126.977 2.111 . . . . 0.0 110.688 178.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.29 5.3 mp 63.79 -179.13 0.16 Allowed 'General case' 0 C--N 1.386 2.181 0 CA-C-O 123.137 1.446 . . . . 0.0 111.405 179.127 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.8 -3.96 67.43 Favored Glycine 0 CA--C 1.57 3.489 0 CA-C-O 117.407 -1.774 . . . . 0.0 113.02 -172.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.2 m 107.22 -44.88 0.0 OUTLIER 'General case' 0 C--N 1.392 2.421 1 C-N-CA 132.209 4.204 . . . . 0.0 107.919 -176.645 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.488 ' NZ ' ' CG ' ' A' ' 30' ' ' ASP . 1.8 mptt -60.01 133.03 89.86 Favored Pre-proline 0 CA--C 1.602 2.947 0 C-N-CA 125.04 1.336 . . . . 0.0 108.833 179.515 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -103.31 -5.06 0.24 Allowed 'Trans proline' 1 C--N 1.415 4.064 0 N-CA-C 122.075 3.836 . . . . 0.0 122.075 -176.398 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_exo -90.81 -28.55 0.2 Allowed 'Trans proline' 0 C--N 1.408 3.708 1 N-CA-C 127.995 6.114 . . . . 0.0 127.995 -170.608 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.3 p -81.05 139.04 35.95 Favored 'General case' 0 C--N 1.392 2.421 0 CA-C-N 124.543 3.338 . . . . 0.0 115.261 -172.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 52.8 p -129.53 164.77 23.05 Favored 'General case' 0 CA--C 1.577 1.998 0 C-N-CA 128.954 2.902 . . . . 0.0 108.871 170.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -132.94 101.76 5.37 Favored 'General case' 0 C--N 1.388 2.267 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -176.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.3 m -79.38 104.27 9.88 Favored 'General case' 0 C--N 1.395 2.555 0 N-CA-C 102.777 -3.045 . . . . 0.0 102.777 170.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -121.91 148.9 44.16 Favored 'General case' 0 C--N 1.387 2.223 0 CA-C-O 123.034 1.397 . . . . 0.0 111.438 -170.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -105.9 -10.39 16.66 Favored 'General case' 0 C--N 1.374 1.665 0 CA-C-N 113.81 -1.541 . . . . 0.0 110.1 174.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -70.3 105.91 3.16 Favored 'General case' 0 C--N 1.399 2.731 0 N-CA-C 102.038 -3.319 . . . . 0.0 102.038 168.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 1' ' ' ARG 2.154 90.1 m-20 -52.46 0.64 0.01 OUTLIER 'General case' 0 C--N 1.387 2.217 1 C-N-CA 131.722 4.009 . . . . 0.0 117.168 -170.587 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 60.4 p -147.26 147.74 30.72 Favored 'General case' 0 C--N 1.38 1.898 0 CA-C-N 121.696 2.043 . . . . 0.0 107.71 175.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.4 p -140.57 151.76 44.96 Favored 'General case' 0 C--N 1.381 1.972 0 CA-C-O 123.797 1.76 . . . . 0.0 112.334 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -113.92 160.13 19.13 Favored 'General case' 0 C--N 1.379 1.873 0 CA-C-N 112.625 -2.08 . . . . 0.0 114.49 -164.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.46 ' NZ ' ' OXT' ' A' ' 59' ' ' LEU . 28.8 mttt -116.86 107.45 14.63 Favored 'General case' 0 C--N 1.378 1.82 0 N-CA-C 102.954 -2.98 . . . . 0.0 102.954 -177.519 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.445 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 0.4 OUTLIER -115.25 120.79 40.85 Favored 'General case' 0 CA--C 1.577 2.013 0 N-CA-C 102.965 -2.976 . . . . 0.0 102.965 -171.821 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -120.67 -12.21 9.24 Favored 'Isoleucine or valine' 0 C--N 1.395 2.579 0 N-CA-C 117.741 2.497 . . . . 0.0 117.741 -153.064 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.445 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -101.41 28.24 5.64 Favored 'General case' 0 CA--C 1.566 1.587 1 C-N-CA 135.998 5.719 . . . . 0.0 112.114 -178.018 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.94 178.66 7.28 Favored 'General case' 0 C--N 1.391 2.412 0 CA-C-N 121.69 2.041 . . . . 0.0 112.407 -176.356 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -59.43 -43.9 92.99 Favored 'General case' 0 C--N 1.383 2.047 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.001 -177.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.488 ' CG ' ' NZ ' ' A' ' 10' ' ' LYS . 65.8 m-20 -69.51 0.34 5.43 Favored 'General case' 0 CA--C 1.594 2.644 0 CA-C-O 117.729 -1.129 . . . . 0.0 110.19 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 60.08 74.04 0.46 Allowed 'General case' 0 C--N 1.4 2.763 0 N-CA-C 104.19 -2.522 . . . . 0.0 104.19 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.6 tp -167.06 166.08 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.399 2.75 0 C-N-CA 115.687 -2.405 . . . . 0.0 115.097 -162.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.7 mm -88.11 95.74 5.41 Favored 'Isoleucine or valine' 0 C--N 1.387 2.235 0 N-CA-C 104.282 -2.488 . . . . 0.0 104.282 172.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.553 HH11 ' HG2' ' A' ' 34' ' ' ARG . 10.8 ttp85 -145.9 127.85 15.48 Favored 'General case' 0 C--N 1.385 2.149 0 N-CA-C 103.974 -2.602 . . . . 0.0 103.974 -177.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.441 HH22 ' C ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -168.58 -165.79 0.61 Allowed 'General case' 0 C--N 1.399 2.755 0 C-N-CA 116.309 -2.156 . . . . 0.0 114.697 -146.189 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 169.53 -167.03 40.18 Favored Glycine 0 C--N 1.394 3.782 0 C-N-CA 115.022 -3.466 . . . . 0.0 117.203 -175.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 35.8 m -68.73 123.46 20.98 Favored 'General case' 0 C--N 1.388 2.277 0 CA-C-O 123.317 1.532 . . . . 0.0 111.027 -177.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.2 -111.59 0.26 Allowed Glycine 0 C--N 1.393 3.717 0 N-CA-C 105.185 -3.166 . . . . 0.0 105.185 170.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.405 22.2 t 75.59 -42.09 0.46 Allowed 'General case' 0 C--N 1.391 2.411 0 C-N-CA 124.693 1.197 . . . . 0.0 112.515 173.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -76.88 59.01 1.55 Allowed 'General case' 0 CA--C 1.591 2.529 0 N-CA-C 103.419 -2.808 . . . . 0.0 103.419 172.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 49.5 p -73.87 132.06 80.81 Favored Pre-proline 0 C--N 1.397 2.653 0 C-N-CA 125.066 1.346 . . . . 0.0 109.485 -171.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -75.76 95.53 1.02 Allowed 'Trans proline' 0 C--N 1.399 3.236 0 N-CA-C 105.304 -2.614 . . . . 0.0 105.304 173.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.499 HH11 ' HG3' ' A' ' 43' ' ' ARG . 0.8 OUTLIER -96.32 105.55 17.63 Favored 'General case' 0 C--N 1.388 2.261 0 CA-C-O 121.707 0.765 . . . . 0.0 109.685 -176.417 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.06 58.47 4.76 Favored Glycine 0 C--N 1.392 3.681 0 N-CA-C 107.027 -2.429 . . . . 0.0 107.027 168.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.32 0.8 OUTLIER 51.71 53.95 11.81 Favored 'General case' 0 C--N 1.386 2.195 0 N-CA-C 106.166 -1.79 . . . . 0.0 106.166 -174.159 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.2 tpt -145.44 121.37 5.87 Favored Pre-proline 0 CA--C 1.584 2.281 0 N-CA-C 105.906 -1.887 . . . . 0.0 105.906 -176.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -56.91 166.04 4.35 Favored 'Trans proline' 0 C--N 1.4 3.27 0 C-N-CA 124.105 3.204 . . . . 0.0 119.923 -179.298 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -154.53 -176.53 26.92 Favored Glycine 0 C--N 1.389 3.521 0 CA-C-N 113.496 -1.684 . . . . 0.0 112.089 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -64.98 153.71 76.91 Favored 'Trans proline' 0 C--N 1.39 2.752 0 CA-C-O 122.978 1.158 . . . . 0.0 114.179 178.451 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -86.08 135.09 33.76 Favored 'General case' 0 C--N 1.382 2.003 0 CA-C-N 113.501 -1.682 . . . . 0.0 107.307 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 28.6 p -126.66 169.78 12.78 Favored 'General case' 0 C--N 1.389 2.318 0 N-CA-C 116.957 2.206 . . . . 0.0 116.957 -173.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.1 t -130.37 157.05 43.65 Favored 'General case' 0 C--N 1.377 1.791 0 CA-C-N 111.532 -2.576 . . . . 0.0 109.676 177.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . 0.26 2.5 pt-20 -132.24 59.72 1.71 Allowed 'General case' 0 C--N 1.378 1.833 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 174.365 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.6 t -149.79 155.13 39.58 Favored 'General case' 0 C--N 1.385 2.143 0 CA-C-N 113.715 -1.584 . . . . 0.0 108.323 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.466 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 31.7 t70 -67.47 119.28 12.02 Favored 'General case' 0 C--N 1.39 2.341 0 CA-C-O 122.286 1.041 . . . . 0.0 109.175 -173.445 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.466 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 33.3 mmtm 73.28 -56.61 0.65 Allowed 'General case' 0 C--N 1.392 2.443 0 C-N-CA 127.849 2.46 . . . . 0.0 109.272 177.565 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.3 t 64.16 50.74 2.34 Favored 'General case' 0 C--N 1.382 1.988 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 173.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.306 57.4 m-20 75.22 -3.36 2.62 Favored 'General case' 0 C--N 1.388 2.264 0 C-N-CA 127.281 2.233 . . . . 0.0 113.347 177.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.46 ' OXT' ' NZ ' ' A' ' 24' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.394 2.522 0 N-CA-C 103.314 -2.847 . . . . 0.0 103.314 173.319 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.448 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.535 3.791 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.6 mm -93.08 121.17 43.55 Favored 'Isoleucine or valine' 0 C--N 1.388 2.281 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 174.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.3 m -127.88 178.72 5.97 Favored 'General case' 0 C--N 1.385 2.141 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 161.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -89.5 153.89 20.45 Favored 'General case' 0 C--N 1.381 1.973 0 O-C-N 121.442 -0.786 . . . . 0.0 111.82 -179.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -151.65 65.53 0.87 Allowed 'General case' 0 C--N 1.384 2.102 0 N-CA-C 102.508 -3.145 . . . . 0.0 102.508 167.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.152 11.2 m170 -105.49 -172.26 2.06 Favored 'General case' 0 C--N 1.382 2.003 0 C-N-CA 129.349 3.059 . . . . 0.0 112.141 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.272 25.5 mt 67.89 -169.39 0.19 Allowed 'General case' 0 C--N 1.375 1.702 0 CA-C-O 123.277 1.513 . . . . 0.0 113.421 173.679 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.59 47.6 20.67 Favored Glycine 0 C--N 1.382 3.09 0 N-CA-C 107.769 -2.133 . . . . 0.0 107.769 -168.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 33.4 m 87.53 -30.07 0.05 OUTLIER 'General case' 0 C--N 1.394 2.533 0 C-N-CA 130.175 3.39 . . . . 0.0 111.063 -178.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -113.47 110.24 50.39 Favored Pre-proline 0 CA--C 1.594 2.658 0 C-N-CA 124.501 1.12 . . . . 0.0 108.194 -169.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -90.37 -3.01 5.25 Favored 'Trans proline' 0 CA--C 1.6 3.807 0 N-CA-C 122.493 3.997 . . . . 0.0 122.493 -174.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -82.58 -16.77 7.77 Favored 'Trans proline' 0 C--N 1.403 3.403 1 N-CA-C 130.042 6.901 . . . . 0.0 130.042 -172.114 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.5 p -101.26 157.23 16.94 Favored 'General case' 0 C--N 1.389 2.295 1 CA-C-N 126.405 4.184 . . . . 0.0 116.721 -174.32 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 73.7 p -127.58 146.87 50.38 Favored 'General case' 0 C--N 1.376 1.74 0 CA-C-N 112.935 -1.938 . . . . 0.0 107.947 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -92.45 87.31 5.94 Favored 'General case' 0 C--N 1.375 1.682 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 -175.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.7 t -74.14 121.34 21.02 Favored 'General case' 0 C--N 1.394 2.522 0 N-CA-C 104.215 -2.513 . . . . 0.0 104.215 169.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 12.6 t -153.05 152.64 31.58 Favored 'General case' 0 C--N 1.39 2.36 0 CA-C-O 122.981 1.372 . . . . 0.0 112.801 -165.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -95.34 -5.47 43.33 Favored 'General case' 0 C--N 1.376 1.74 0 CA-C-N 113.132 -1.849 . . . . 0.0 110.951 174.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -74.11 109.35 7.54 Favored 'General case' 0 C--N 1.396 2.6 0 N-CA-C 102.329 -3.212 . . . . 0.0 102.329 178.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.18 69.1 m-20 -60.57 7.13 0.03 OUTLIER 'General case' 0 C--N 1.389 2.317 0 C-N-CA 129.607 3.163 . . . . 0.0 117.764 -165.267 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.8 m -158.06 145.13 17.96 Favored 'General case' 0 C--N 1.377 1.785 0 CA-C-N 121.704 2.047 . . . . 0.0 105.957 178.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.338 26.7 p -139.74 151.19 45.63 Favored 'General case' 0 C--N 1.386 2.162 0 CA-C-O 123.625 1.679 . . . . 0.0 113.688 -173.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -123.26 145.79 48.39 Favored 'General case' 0 C--N 1.387 2.207 0 CA-C-N 112.921 -1.945 . . . . 0.0 113.994 -158.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.568 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 55.3 mttm -92.18 139.98 30.08 Favored 'General case' 0 C--N 1.387 2.211 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 176.181 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.424 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 2.1 t30 -147.36 123.52 10.83 Favored 'General case' 0 C--N 1.379 1.888 0 N-CA-C 104.509 -2.404 . . . . 0.0 104.509 -169.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -132.76 -7.23 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.401 2.818 0 N-CA-C 117.926 2.565 . . . . 0.0 117.926 -150.034 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.507 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -104.81 -94.79 0.34 Allowed 'General case' 0 CA--C 1.576 1.943 1 C-N-CA 134.132 4.973 . . . . 0.0 106.272 -173.31 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.2 t 78.2 -5.66 2.05 Favored 'General case' 0 C--N 1.389 2.288 0 C-N-CA 125.562 1.545 . . . . 0.0 113.058 173.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . 0.278 83.5 m-85 88.91 -38.73 0.02 OUTLIER 'General case' 0 C--N 1.389 2.322 0 CA-C-N 121.987 2.176 . . . . 0.0 111.107 179.541 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.2 p-10 -81.37 -10.29 59.57 Favored 'General case' 0 CA--C 1.576 1.964 0 C-N-CA 124.907 1.283 . . . . 0.0 111.103 172.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 77.79 75.57 0.07 Allowed 'General case' 0 C--N 1.394 2.539 0 C-N-CA 126.818 2.047 . . . . 0.0 107.456 173.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.5 tp -163.69 157.75 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.394 2.529 0 C-N-CA 117.828 -1.549 . . . . 0.0 113.348 -176.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.5 mm -88.44 102.01 12.33 Favored 'Isoleucine or valine' 0 C--N 1.392 2.423 0 N-CA-C 105.473 -2.047 . . . . 0.0 105.473 175.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.429 HH11 ' HG2' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -151.58 110.92 3.94 Favored 'General case' 0 C--N 1.385 2.111 0 N-CA-C 101.59 -3.485 . . . . 0.0 101.59 -176.752 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.66 -166.89 2.61 Favored 'General case' 0 C--N 1.381 1.965 0 CA-C-N 111.379 -2.646 . . . . 0.0 111.726 -155.012 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 177.04 -173.94 46.68 Favored Glycine 0 C--N 1.395 3.842 1 C-N-CA 112.999 -4.429 . . . . 0.0 119.229 -175.252 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.2 p -84.71 122.28 28.86 Favored 'General case' 0 C--N 1.392 2.418 0 CA-C-O 123.376 1.56 . . . . 0.0 108.185 175.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.36 -87.14 0.06 OUTLIER Glycine 0 C--N 1.387 3.394 0 N-CA-C 103.246 -3.942 . . . . 0.0 103.246 175.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.381 42.9 t 79.49 -48.92 0.39 Allowed 'General case' 0 C--N 1.384 2.098 0 CA-C-O 121.779 0.799 . . . . 0.0 110.179 177.387 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -89.38 71.94 8.07 Favored 'General case' 0 C--N 1.38 1.909 0 N-CA-C 102.57 -3.122 . . . . 0.0 102.57 -175.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.9 t -110.86 126.43 28.76 Favored Pre-proline 0 C--N 1.395 2.545 0 C-N-CA 124.701 1.2 . . . . 0.0 108.251 -177.224 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -69.19 153.74 71.09 Favored 'Trans proline' 0 C--N 1.39 2.732 0 C-N-CA 120.818 1.012 . . . . 0.0 110.79 171.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.9 ttp85 -95.34 89.38 5.44 Favored 'General case' 0 C--N 1.388 2.257 0 N-CA-C 101.305 -3.591 . . . . 0.0 101.305 175.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -83.82 44.01 3.25 Favored Glycine 0 C--N 1.39 3.573 0 CA-C-O 119.008 -0.884 . . . . 0.0 111.082 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.259 11.3 m-20 54.85 53.7 10.08 Favored 'General case' 0 C--N 1.384 2.089 0 N-CA-C 105.13 -2.174 . . . . 0.0 105.13 -176.697 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.8 tpt -159.41 122.28 1.96 Allowed Pre-proline 0 C--N 1.388 2.243 0 N-CA-C 102.825 -3.028 . . . . 0.0 102.825 -174.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_exo -61.33 130.89 33.77 Favored 'Trans proline' 0 C--N 1.396 3.031 0 CA-C-N 119.86 0.986 . . . . 0.0 111.305 -176.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.57 170.02 41.81 Favored Glycine 0 C--N 1.39 3.528 0 CA-C-O 122.277 0.932 . . . . 0.0 112.733 178.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -69.52 178.19 4.67 Favored 'Trans proline' 0 C--N 1.383 2.356 0 O-C-N 123.442 1.233 . . . . 0.0 109.797 171.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -123.1 137.3 54.96 Favored 'General case' 0 C--N 1.384 2.106 0 CA-C-O 121.663 0.744 . . . . 0.0 109.977 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 2.7 m -118.74 168.23 10.93 Favored 'General case' 0 C--N 1.398 2.717 0 N-CA-C 119.187 3.032 . . . . 0.0 119.187 -160.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 13.5 t -141.36 154.39 45.63 Favored 'General case' 0 C--N 1.377 1.783 0 CA-C-N 110.271 -3.149 . . . . 0.0 107.715 177.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -119.29 50.27 1.25 Allowed 'General case' 0 C--N 1.376 1.76 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.8 t -137.18 175.32 9.72 Favored 'General case' 0 C--N 1.385 2.117 0 CA-C-N 115.289 -0.869 . . . . 0.0 112.131 -175.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.519 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 33.0 t0 -84.91 119.51 25.44 Favored 'General case' 0 CA--C 1.579 2.071 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 -178.239 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.519 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.306 1.0 OUTLIER 74.54 -67.0 0.27 Allowed 'General case' 0 C--N 1.393 2.498 0 C-N-CA 126.735 2.014 . . . . 0.0 109.101 -177.932 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.275 10.7 t 78.39 27.96 0.49 Allowed 'General case' 0 CA--C 1.582 2.201 0 C-N-CA 126.976 2.11 . . . . 0.0 110.654 178.604 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.5 m120 58.82 71.85 0.56 Allowed 'General case' 0 C--N 1.392 2.434 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 172.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.568 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 16.8 tp . . . . . 0 CA--C 1.588 2.406 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 177.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.53 3.527 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.0 mp -103.43 117.86 49.56 Favored 'Isoleucine or valine' 0 C--N 1.388 2.266 0 N-CA-C 107.035 -1.468 . . . . 0.0 107.035 -178.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.2 m -138.84 147.49 42.54 Favored 'General case' 0 C--N 1.387 2.203 0 CA-C-O 122.875 1.321 . . . . 0.0 107.774 172.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -68.61 149.08 49.57 Favored 'General case' 0 C--N 1.383 2.033 0 CA-C-N 115.315 -0.857 . . . . 0.0 113.272 -164.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -142.05 43.06 1.68 Allowed 'General case' 0 C--N 1.388 2.247 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 177.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.218 8.5 m170 -83.06 -144.07 0.07 Allowed 'General case' 0 C--N 1.386 2.181 0 C-N-CA 125.217 1.407 . . . . 0.0 107.917 174.094 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.319 5.6 mp 66.6 -179.87 0.21 Allowed 'General case' 0 C--N 1.389 2.291 0 O-C-N 120.838 -1.164 . . . . 0.0 113.524 174.491 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.404 ' H ' HG12 ' A' ' 32' ' ' ILE . . . 88.92 -63.7 3.47 Favored Glycine 0 C--N 1.389 3.478 0 N-CA-C 108.01 -2.036 . . . . 0.0 108.01 -169.469 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.6 m -165.46 -50.37 0.03 OUTLIER 'General case' 0 C--N 1.379 1.887 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -82.8 133.79 48.31 Favored Pre-proline 0 CA--C 1.591 2.552 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.173 -176.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -102.65 -6.42 0.24 Allowed 'Trans proline' 1 C--N 1.415 4.057 0 N-CA-C 119.442 2.824 . . . . 0.0 119.442 178.563 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -75.65 -20.72 15.35 Favored 'Trans proline' 0 C--N 1.402 3.388 1 N-CA-C 125.785 5.263 . . . . 0.0 125.785 -173.832 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.7 p -95.06 154.04 17.36 Favored 'General case' 0 C--N 1.393 2.481 0 CA-C-N 124.958 3.526 . . . . 0.0 114.677 -176.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 67.5 p -131.03 143.27 50.58 Favored 'General case' 0 C--N 1.375 1.708 0 CA-C-N 112.76 -2.018 . . . . 0.0 107.62 174.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -88.74 92.84 9.36 Favored 'General case' 0 C--N 1.384 2.098 0 N-CA-C 105.094 -2.188 . . . . 0.0 105.094 -171.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 69.7 m -83.75 101.32 11.5 Favored 'General case' 0 C--N 1.39 2.337 0 N-CA-C 103.421 -2.807 . . . . 0.0 103.421 -178.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.0 t -139.18 161.28 37.79 Favored 'General case' 0 C--N 1.393 2.483 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -165.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.83 -11.32 45.12 Favored 'General case' 0 C--N 1.384 2.069 0 CA-C-N 114.187 -1.37 . . . . 0.0 113.121 -177.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -70.01 123.9 22.71 Favored 'General case' 0 C--N 1.391 2.394 0 N-CA-C 104.465 -2.42 . . . . 0.0 104.465 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.095 15.9 m-20 -46.8 -34.47 5.32 Favored 'General case' 0 C--N 1.385 2.115 0 C-N-CA 128.988 2.915 . . . . 0.0 114.068 -175.143 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.5 m -121.94 172.22 8.36 Favored 'General case' 0 C--N 1.379 1.891 0 C-N-CA 124.89 1.276 . . . . 0.0 111.944 -175.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.2 p -150.37 159.36 44.52 Favored 'General case' 0 C--N 1.385 2.146 0 C-N-CA 117.627 -1.629 . . . . 0.0 112.951 176.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -124.76 154.8 40.35 Favored 'General case' 0 C--N 1.376 1.741 0 CA-C-N 113.62 -1.627 . . . . 0.0 114.629 -167.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.553 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 64.5 mmtt -108.23 115.11 29.51 Favored 'General case' 0 C--N 1.387 2.196 0 N-CA-C 104.685 -2.339 . . . . 0.0 104.685 176.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.466 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 0.6 OUTLIER -119.21 119.9 35.47 Favored 'General case' 0 CA--C 1.58 2.102 0 N-CA-C 103.852 -2.647 . . . . 0.0 103.852 -175.545 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.1 9.64 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.402 2.89 0 N-CA-C 117.105 2.261 . . . . 0.0 117.105 -152.601 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.501 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -104.06 -109.46 0.26 Allowed 'General case' 0 CA--C 1.594 2.663 0 C-N-CA 131.425 3.89 . . . . 0.0 106.515 -172.478 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.5 t 75.51 162.25 0.25 Allowed 'General case' 0 C--N 1.392 2.423 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 173.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -71.19 -46.47 61.21 Favored 'General case' 0 C--N 1.391 2.373 0 CA-C-N 114.746 -1.116 . . . . 0.0 109.471 175.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -63.59 -6.12 4.86 Favored 'General case' 0 CA--C 1.581 2.17 0 CA-C-O 116.334 -1.793 . . . . 0.0 112.019 176.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 65.64 76.03 0.33 Allowed 'General case' 0 C--N 1.401 2.836 0 CA-C-N 123.333 2.788 . . . . 0.0 104.948 174.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.404 HG12 ' H ' ' A' ' 8' ' ' GLY . 2.9 tp -167.52 167.43 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.401 2.829 0 C-N-CA 116.019 -2.272 . . . . 0.0 115.55 -166.433 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.5 mt -103.74 100.55 10.69 Favored 'Isoleucine or valine' 0 C--N 1.392 2.433 0 N-CA-C 105.945 -1.872 . . . . 0.0 105.945 173.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.8 ttp85 -140.75 117.32 10.86 Favored 'General case' 0 C--N 1.382 1.99 0 N-CA-C 103.083 -2.932 . . . . 0.0 103.083 -177.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.418 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -157.87 -169.43 2.83 Favored 'General case' 0 C--N 1.389 2.31 0 CA-C-N 113.718 -1.583 . . . . 0.0 112.72 -156.801 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 169.57 -166.91 40.08 Favored Glycine 0 C--N 1.394 3.758 1 C-N-CA 113.348 -4.263 . . . . 0.0 118.888 -172.5 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.1 p -70.22 124.12 23.35 Favored 'General case' 0 C--N 1.392 2.421 0 CA-C-O 122.892 1.33 . . . . 0.0 110.985 -177.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.41 -94.0 0.09 OUTLIER Glycine 0 C--N 1.392 3.673 0 N-CA-C 106.006 -2.838 . . . . 0.0 106.006 171.066 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.421 ' O ' ' SG ' ' A' ' 39' ' ' CYS 2.382 34.4 t 85.02 -47.52 0.08 Allowed 'General case' 0 C--N 1.383 2.038 0 C-N-CA 125.563 1.545 . . . . 0.0 111.188 179.289 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -82.78 86.78 6.84 Favored 'General case' 0 CA--C 1.574 1.887 0 N-CA-C 101.036 -3.69 . . . . 0.0 101.036 -175.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.7 t -120.35 90.7 45.53 Favored Pre-proline 0 C--N 1.394 2.531 0 N-CA-C 105.851 -1.907 . . . . 0.0 105.851 -169.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -92.47 100.44 0.18 Allowed 'Trans proline' 0 C--N 1.395 3.024 0 N-CA-C 106.279 -2.239 . . . . 0.0 106.279 -172.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -168.75 120.54 0.78 Allowed 'General case' 0 C--N 1.394 2.532 0 C-N-CA 117.903 -1.519 . . . . 0.0 109.156 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -98.76 -27.89 8.17 Favored Glycine 0 C--N 1.394 3.804 0 CA-C-O 116.916 -2.047 . . . . 0.0 114.053 177.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -93.28 29.85 1.82 Allowed 'General case' 0 C--N 1.39 2.356 0 CA-C-N 121.517 2.658 . . . . 0.0 111.628 179.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 27.4 ttp -174.48 92.61 0.31 Allowed Pre-proline 0 C--N 1.38 1.893 1 N-CA-C 99.795 -4.15 . . . . 0.0 99.795 168.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -53.89 127.88 27.4 Favored 'Trans proline' 0 C--N 1.394 2.945 0 N-CA-C 108.337 -1.447 . . . . 0.0 108.337 174.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -75.78 -179.92 46.04 Favored Glycine 0 C--N 1.389 3.521 0 C-N-CA 119.99 -1.1 . . . . 0.0 115.062 -178.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -56.27 168.12 2.21 Favored 'Trans proline' 0 C--N 1.387 2.585 0 C-N-CA 121.677 1.585 . . . . 0.0 114.938 175.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -96.23 154.68 17.12 Favored 'General case' 0 C--N 1.382 1.982 0 CA-C-N 113.652 -1.613 . . . . 0.0 107.323 173.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 15.2 m -138.49 157.69 45.7 Favored 'General case' 0 C--N 1.392 2.426 0 N-CA-C 117.939 2.57 . . . . 0.0 117.939 -165.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 23.9 t -119.32 169.1 10.29 Favored 'General case' 0 C--N 1.374 1.641 0 CA-C-N 109.947 -3.297 . . . . 0.0 109.559 172.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -143.76 37.75 1.32 Allowed 'General case' 0 C--N 1.381 1.94 0 C-N-CA 118.305 -1.358 . . . . 0.0 112.0 -178.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.9 p -135.88 174.6 10.43 Favored 'General case' 0 C--N 1.379 1.865 0 C-N-CA 124.036 0.934 . . . . 0.0 111.261 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.513 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 24.6 t0 -68.57 130.56 43.21 Favored 'General case' 0 CA--C 1.585 2.307 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 171.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.513 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 39.9 mmtm 74.04 -83.75 0.03 OUTLIER 'General case' 0 C--N 1.39 2.348 0 C-N-CA 126.326 1.85 . . . . 0.0 112.224 171.213 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 32.1 p 51.58 68.08 0.86 Allowed 'General case' 0 C--N 1.383 2.038 0 C-N-CA 128.771 2.828 . . . . 0.0 109.395 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 66.47 53.93 0.93 Allowed 'General case' 0 C--N 1.386 2.166 0 O-C-N 121.844 -0.535 . . . . 0.0 110.363 168.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.553 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 6.6 tp . . . . . 0 CA--C 1.585 2.301 0 CA-C-O 116.921 -1.514 . . . . 0.0 108.608 164.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.485 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.53 3.525 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -84.79 121.93 37.47 Favored 'Isoleucine or valine' 0 C--N 1.387 2.202 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 -179.364 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.6 m -127.11 161.7 27.83 Favored 'General case' 0 C--N 1.391 2.375 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 162.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -75.97 165.09 25.48 Favored 'General case' 0 C--N 1.381 1.957 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 -169.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 49.8 p-10 -142.93 22.85 1.92 Allowed 'General case' 0 C--N 1.392 2.422 0 C-N-CA 119.381 -0.927 . . . . 0.0 110.468 168.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.215 85.2 m-70 -63.93 179.45 0.52 Allowed 'General case' 0 C--N 1.391 2.389 0 C-N-CA 126.227 1.811 . . . . 0.0 114.218 -176.293 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.311 62.7 mt 75.73 -172.23 0.1 Allowed 'General case' 0 C--N 1.381 1.956 0 C-N-CA 125.381 1.473 . . . . 0.0 114.029 176.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.72 -113.24 3.96 Favored Glycine 0 C--N 1.383 3.186 0 N-CA-C 105.62 -2.992 . . . . 0.0 105.62 -165.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.8 m -82.14 -44.11 16.89 Favored 'General case' 0 C--N 1.382 2.006 0 O-C-N 121.722 -0.869 . . . . 0.0 110.674 -179.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.5 tttm -98.38 140.93 22.17 Favored Pre-proline 0 C--N 1.389 2.284 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -169.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -63.88 168.76 11.43 Favored 'Trans proline' 0 C--N 1.402 3.363 0 C-N-CA 121.627 1.552 . . . . 0.0 113.966 166.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -32.13 132.39 0.08 OUTLIER 'Trans proline' 0 C--N 1.391 2.774 1 C-N-CA 125.65 4.234 . . . . 0.0 115.701 -176.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 174.2 157.31 0.14 Allowed 'General case' 0 CA--C 1.587 2.39 0 C-N-CA 129.28 3.032 . . . . 0.0 105.481 -179.048 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 53.3 p -137.85 169.26 18.09 Favored 'General case' 0 C--N 1.39 2.333 0 N-CA-C 115.477 1.658 . . . . 0.0 115.477 -159.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -111.3 105.49 14.16 Favored 'General case' 0 C--N 1.384 2.108 0 CA-C-O 122.638 1.208 . . . . 0.0 107.954 -173.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.6 m -79.37 121.33 25.01 Favored 'General case' 0 C--N 1.39 2.351 0 N-CA-C 105.446 -2.057 . . . . 0.0 105.446 176.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.3 t -147.38 148.25 31.13 Favored 'General case' 0 C--N 1.393 2.495 0 CA-C-O 123.49 1.614 . . . . 0.0 112.199 -173.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . 0.258 3.0 mp0 -98.14 -2.8 39.15 Favored 'General case' 0 CA--C 1.571 1.77 0 CA-C-N 113.201 -1.818 . . . . 0.0 111.161 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -66.13 119.04 10.73 Favored 'General case' 0 C--N 1.404 2.952 0 N-CA-C 102.644 -3.095 . . . . 0.0 102.644 163.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.109 50.8 m-20 -65.91 4.86 0.56 Allowed 'General case' 0 C--N 1.388 2.257 0 C-N-CA 129.643 3.177 . . . . 0.0 115.835 -172.379 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.2 t -146.68 129.81 16.5 Favored 'General case' 0 C--N 1.375 1.714 0 N-CA-C 103.554 -2.758 . . . . 0.0 103.554 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.5 p -140.25 147.55 40.16 Favored 'General case' 0 C--N 1.38 1.917 0 CA-C-O 123.736 1.731 . . . . 0.0 110.449 -178.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -130.77 166.67 20.29 Favored 'General case' 0 C--N 1.383 2.037 0 N-CA-C 116.715 2.117 . . . . 0.0 116.715 -158.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.414 ' NZ ' ' O ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -106.46 125.81 51.47 Favored 'General case' 0 C--N 1.38 1.898 0 CA-C-N 110.522 -3.035 . . . . 0.0 106.766 179.45 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.527 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 3.7 t30 -133.39 124.09 26.52 Favored 'General case' 0 C--N 1.382 1.98 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 -169.418 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.85 -5.71 2.3 Favored 'Isoleucine or valine' 0 C--N 1.401 2.824 0 N-CA-C 118.1 2.63 . . . . 0.0 118.1 -152.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.527 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -96.66 -88.62 0.28 Allowed 'General case' 0 CA--C 1.577 1.995 1 C-N-CA 136.349 5.859 . . . . 0.0 106.746 179.015 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.5 t 86.59 -66.61 0.03 OUTLIER 'General case' 0 C--N 1.39 2.359 0 C-N-CA 127.444 2.298 . . . . 0.0 107.598 177.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 57.9 t80 160.34 -46.4 0.0 OUTLIER 'General case' 0 C--N 1.383 2.051 0 C-N-CA 127.564 2.346 . . . . 0.0 104.818 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -71.28 -16.06 62.45 Favored 'General case' 0 C--N 1.385 2.11 0 C-N-CA 126.229 1.812 . . . . 0.0 113.261 174.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 79.89 83.2 0.05 Allowed 'General case' 0 C--N 1.39 2.353 0 C-N-CA 126.779 2.032 . . . . 0.0 106.94 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.2 tp -171.77 164.11 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.39 2.366 0 C-N-CA 119.476 -0.89 . . . . 0.0 111.066 -175.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.5 mp -98.09 95.75 4.67 Favored 'Isoleucine or valine' 0 C--N 1.39 2.354 0 N-CA-C 106.657 -1.608 . . . . 0.0 106.657 -179.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.57 114.37 9.39 Favored 'General case' 0 C--N 1.383 2.054 0 N-CA-C 103.024 -2.954 . . . . 0.0 103.024 -176.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 ptt-85 -145.9 -168.98 3.13 Favored 'General case' 0 C--N 1.385 2.123 0 CA-C-N 112.886 -1.961 . . . . 0.0 114.116 -155.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 173.81 -166.21 38.32 Favored Glycine 0 C--N 1.394 3.772 0 C-N-CA 115.027 -3.463 . . . . 0.0 117.208 -174.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.4 p -92.87 129.89 38.64 Favored 'General case' 0 C--N 1.39 2.332 0 CA-C-O 123.716 1.722 . . . . 0.0 112.006 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.92 -76.86 0.04 OUTLIER Glycine 0 C--N 1.389 3.483 0 N-CA-C 103.515 -3.834 . . . . 0.0 103.515 171.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.372 46.5 t 70.49 -157.62 0.14 Allowed 'General case' 0 C--N 1.388 2.244 0 CA-C-O 122.405 1.098 . . . . 0.0 113.2 175.227 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 57.07 58.43 3.98 Favored 'General case' 0 C--N 1.384 2.098 0 CA-C-N 113.95 -1.477 . . . . 0.0 107.399 172.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.8 t -124.81 106.86 28.99 Favored Pre-proline 0 C--N 1.396 2.602 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -175.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -88.3 102.9 0.45 Allowed 'Trans proline' 0 C--N 1.399 3.194 0 N-CA-C 105.088 -2.697 . . . . 0.0 105.088 177.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.449 HH11 ' HG2' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -129.74 157.49 42.01 Favored 'General case' 0 C--N 1.387 2.208 0 O-C-N 121.142 -0.974 . . . . 0.0 112.408 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -104.07 -78.49 1.25 Allowed Glycine 0 C--N 1.39 3.555 0 N-CA-C 104.952 -3.259 . . . . 0.0 104.952 175.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.297 21.3 t70 -140.78 63.6 1.45 Allowed 'General case' 0 C--N 1.388 2.246 0 N-CA-C 105.166 -2.161 . . . . 0.0 105.166 165.372 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.8 ttt -114.55 123.65 31.91 Favored Pre-proline 0 C--N 1.386 2.19 0 N-CA-C 104.614 -2.365 . . . . 0.0 104.614 169.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -32.68 114.64 0.07 OUTLIER 'Trans proline' 0 C--N 1.394 2.963 0 C-N-CA 124.94 3.76 . . . . 0.0 112.474 178.527 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -164.95 141.86 7.35 Favored Glycine 0 C--N 1.387 3.416 0 N-CA-C 106.704 -2.558 . . . . 0.0 106.704 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -66.76 165.86 24.31 Favored 'Trans proline' 0 C--N 1.383 2.361 0 CA-C-O 122.553 0.98 . . . . 0.0 110.856 177.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 39.2 p90 -101.56 137.93 39.23 Favored 'General case' 0 C--N 1.384 2.094 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 178.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 2.8 m -128.85 164.47 23.01 Favored 'General case' 0 C--N 1.395 2.558 0 N-CA-C 117.542 2.423 . . . . 0.0 117.542 -163.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.9 t -131.37 162.67 29.59 Favored 'General case' 0 C--N 1.378 1.815 0 CA-C-N 111.773 -2.467 . . . . 0.0 109.905 173.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -125.89 38.02 4.23 Favored 'General case' 0 C--N 1.38 1.912 0 CA-C-O 122.041 0.924 . . . . 0.0 108.886 171.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.45 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 0.4 OUTLIER -130.79 -172.98 2.95 Favored 'General case' 0 C--N 1.385 2.143 0 C-N-CA 125.644 1.578 . . . . 0.0 111.202 -178.333 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.453 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 37.1 t70 -84.18 106.34 15.73 Favored 'General case' 0 CA--C 1.576 1.981 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 -176.356 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.453 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.272 11.5 mptt 73.19 -60.34 0.54 Allowed 'General case' 0 C--N 1.396 2.63 0 C-N-CA 126.154 1.782 . . . . 0.0 111.556 176.356 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.45 ' SG ' ' HB3' ' A' ' 54' ' ' SER 0.262 3.4 m 60.74 65.14 1.06 Allowed 'General case' 0 C--N 1.374 1.654 0 C-N-CA 127.301 2.241 . . . . 0.0 105.352 -175.909 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.3 m120 84.24 -66.34 0.06 Allowed 'General case' 0 C--N 1.387 2.231 0 C-N-CA 127.948 2.499 . . . . 0.0 111.371 170.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.414 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 95.7 mt . . . . . 0 CA--C 1.628 3.962 0 CA-C-O 115.93 -1.986 . . . . 0.0 109.077 -177.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.49 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.533 3.706 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.8 mp -97.99 129.12 48.67 Favored 'Isoleucine or valine' 0 C--N 1.387 2.221 0 CA-C-O 121.891 0.853 . . . . 0.0 111.667 -169.019 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -139.97 152.31 46.21 Favored 'General case' 0 C--N 1.391 2.398 0 O-C-N 121.231 -0.918 . . . . 0.0 108.702 170.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.443 ' CD1' HG22 ' A' ' 14' ' ' THR . 5.7 m-85 -104.89 153.72 21.0 Favored 'General case' 0 C--N 1.392 2.428 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -165.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -115.98 22.98 12.57 Favored 'General case' 0 C--N 1.386 2.19 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 175.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.182 20.5 m170 -72.25 -173.84 1.17 Allowed 'General case' 0 C--N 1.39 2.341 0 C-N-CA 127.486 2.315 . . . . 0.0 114.584 -176.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.25 49.5 mt 76.31 -169.93 0.08 Allowed 'General case' 0 C--N 1.386 2.153 0 C-N-CA 125.819 1.648 . . . . 0.0 113.862 176.052 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.35 -54.37 3.52 Favored Glycine 0 C--N 1.385 3.3 0 N-CA-C 110.028 -1.229 . . . . 0.0 110.028 -173.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.4 m -164.36 -41.5 0.03 OUTLIER 'General case' 0 C--N 1.377 1.794 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 -174.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -106.47 126.82 29.5 Favored Pre-proline 0 CA--C 1.581 2.149 0 C-N-CA 123.906 0.883 . . . . 0.0 110.791 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -87.03 -15.45 3.73 Favored 'Trans proline' 0 C--N 1.408 3.668 1 N-CA-C 123.897 4.537 . . . . 0.0 123.897 177.213 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -85.19 -23.53 2.35 Favored 'Trans proline' 0 C--N 1.394 2.966 1 N-CA-C 128.977 6.491 . . . . 0.0 128.977 -168.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.3 p -82.13 140.89 33.53 Favored 'General case' 0 C--N 1.391 2.391 0 CA-C-N 124.652 3.387 . . . . 0.0 114.067 -171.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.443 HG22 ' CD1' ' A' ' 4' ' ' TYR . 55.5 p -134.06 159.74 39.89 Favored 'General case' 0 C--N 1.383 2.027 0 CA-C-N 113.154 -1.839 . . . . 0.0 111.433 -175.358 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -124.6 100.87 6.85 Favored 'General case' 0 C--N 1.384 2.097 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 -169.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 54.1 m -81.64 109.39 16.03 Favored 'General case' 0 C--N 1.389 2.305 0 N-CA-C 102.219 -3.252 . . . . 0.0 102.219 175.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.8 t -120.03 156.34 31.1 Favored 'General case' 0 C--N 1.393 2.458 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -161.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.91 2.19 43.49 Favored 'General case' 0 C--N 1.384 2.104 0 C-N-CA 124.897 1.279 . . . . 0.0 111.272 172.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.458 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 26.5 mm-40 -94.06 108.69 20.5 Favored 'General case' 0 C--N 1.392 2.456 0 N-CA-C 103.659 -2.719 . . . . 0.0 103.659 175.732 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.147 83.1 m-20 -52.43 -20.28 2.74 Favored 'General case' 0 CA--C 1.58 2.1 0 C-N-CA 129.239 3.016 . . . . 0.0 116.848 -171.71 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.4 t -130.76 154.04 48.4 Favored 'General case' 0 C--N 1.378 1.835 0 C-N-CA 125.057 1.343 . . . . 0.0 109.83 -177.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.4 p -145.57 154.3 42.02 Favored 'General case' 0 C--N 1.386 2.178 0 C-N-CA 118.331 -1.348 . . . . 0.0 113.158 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -117.62 139.4 51.04 Favored 'General case' 0 C--N 1.384 2.067 0 CA-C-N 113.925 -1.489 . . . . 0.0 112.317 -167.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -91.25 119.59 31.45 Favored 'General case' 0 CA--C 1.58 2.124 0 N-CA-C 105.619 -1.993 . . . . 0.0 105.619 176.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.508 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 1.4 t30 -113.27 115.3 27.97 Favored 'General case' 0 CA--C 1.582 2.202 0 N-CA-C 100.954 -3.721 . . . . 0.0 100.954 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -121.28 -13.57 7.99 Favored 'Isoleucine or valine' 0 C--N 1.398 2.705 0 N-CA-C 117.748 2.499 . . . . 0.0 117.748 -153.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.564 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -86.76 -99.58 0.07 Allowed 'General case' 0 CA--C 1.59 2.49 1 C-N-CA 135.954 5.702 . . . . 0.0 105.799 178.758 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.301 12.3 t 87.69 -76.38 0.01 OUTLIER 'General case' 0 C--N 1.392 2.414 0 C-N-CA 126.443 1.897 . . . . 0.0 107.375 173.425 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.6 p90 179.84 -47.17 0.01 OUTLIER 'General case' 0 C--N 1.388 2.252 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 179.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.8 p30 -69.93 -35.32 74.45 Favored 'General case' 0 C--N 1.378 1.823 0 C-N-CA 129.314 3.046 . . . . 0.0 111.468 176.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 96.29 79.33 0.0 OUTLIER 'General case' 0 C--N 1.386 2.194 0 C-N-CA 129.939 3.296 . . . . 0.0 104.592 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.3 tp -157.76 156.58 4.08 Favored 'Isoleucine or valine' 0 C--N 1.394 2.521 0 C-N-CA 118.393 -1.323 . . . . 0.0 114.037 -174.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 85.3 mt -91.11 90.79 3.38 Favored 'Isoleucine or valine' 0 C--N 1.392 2.44 0 N-CA-C 104.916 -2.253 . . . . 0.0 104.916 177.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -135.93 101.47 4.75 Favored 'General case' 0 C--N 1.382 1.989 0 N-CA-C 101.817 -3.401 . . . . 0.0 101.817 -176.275 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.411 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -143.55 -173.69 4.03 Favored 'General case' 0 C--N 1.394 2.54 0 N-CA-C 116.18 1.919 . . . . 0.0 116.18 -151.797 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -132.85 157.23 22.52 Favored Glycine 0 C--N 1.395 3.841 0 N-CA-C 118.634 2.214 . . . . 0.0 118.634 -169.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.458 ' SG ' ' HB2' ' A' ' 19' ' ' GLU . 34.9 t -85.62 108.26 17.9 Favored 'General case' 0 C--N 1.383 2.051 0 N-CA-C 104.063 -2.569 . . . . 0.0 104.063 172.74 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -165.89 -86.78 0.06 OUTLIER Glycine 0 C--N 1.397 3.967 0 N-CA-C 106.396 -2.682 . . . . 0.0 106.396 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 40' ' ' PHE 2.39 42.0 t 72.97 -161.54 0.1 Allowed 'General case' 0 C--N 1.388 2.256 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 175.781 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.405 ' N ' ' SG ' ' A' ' 39' ' ' CYS . 4.1 m-85 62.33 57.56 1.92 Allowed 'General case' 0 C--N 1.383 2.037 0 CA-C-N 113.787 -1.551 . . . . 0.0 108.254 174.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.9 t -136.97 84.66 24.77 Favored Pre-proline 0 C--N 1.388 2.243 0 N-CA-C 104.175 -2.528 . . . . 0.0 104.175 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -92.16 69.79 0.8 Allowed 'Trans proline' 0 C--N 1.401 3.322 0 N-CA-C 106.221 -2.261 . . . . 0.0 106.221 -175.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . 0.31 15.2 tpt85 65.47 66.07 0.54 Allowed 'General case' 0 C--N 1.382 2.0 0 C-N-CA 126.432 1.893 . . . . 0.0 107.307 -178.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.48 177.96 50.27 Favored Glycine 0 C--N 1.39 3.554 0 CA-C-N 115.089 -0.959 . . . . 0.0 111.732 166.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -100.71 42.23 1.13 Allowed 'General case' 0 CA--C 1.572 1.807 0 CA-C-O 122.492 1.139 . . . . 0.0 108.298 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.1 tpt -137.06 136.42 20.99 Favored Pre-proline 0 CA--C 1.587 2.396 0 C-N-CA 125.911 1.685 . . . . 0.0 106.737 173.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -65.24 111.85 1.92 Allowed 'Trans proline' 0 C--N 1.397 3.131 0 C-N-CA 121.383 1.389 . . . . 0.0 110.704 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -133.17 55.4 0.75 Allowed Glycine 0 C--N 1.397 3.937 0 CA-C-O 114.818 -3.212 . . . . 0.0 114.298 -178.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 0.0 OUTLIER 46.52 -157.58 0.0 OUTLIER 'Trans proline' 1 C--N 1.421 4.377 0 CA-C-N 122.112 2.956 . . . . 0.0 118.4 166.907 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.25 136.82 53.91 Favored 'General case' 0 CA--C 1.583 2.223 0 N-CA-C 105.936 -1.876 . . . . 0.0 105.936 176.008 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.6 m -121.98 164.67 17.23 Favored 'General case' 0 C--N 1.395 2.573 0 N-CA-C 117.769 2.507 . . . . 0.0 117.769 -170.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.9 t -135.92 160.89 37.21 Favored 'General case' 0 C--N 1.383 2.059 0 CA-C-N 112.854 -1.975 . . . . 0.0 109.999 174.527 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . 0.255 9.0 pt-20 -136.24 53.19 1.94 Allowed 'General case' 0 C--N 1.386 2.162 0 O-C-N 121.3 -0.875 . . . . 0.0 110.101 176.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.8 t -157.46 88.81 1.01 Allowed 'General case' 0 C--N 1.39 2.345 0 N-CA-C 105.866 -1.901 . . . . 0.0 105.866 177.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.1 t0 60.38 -157.23 0.34 Allowed 'General case' 0 C--N 1.391 2.376 0 CA-C-O 123.504 1.621 . . . . 0.0 109.207 176.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -25.55 66.04 Favored 'General case' 0 C--N 1.384 2.103 0 CA-C-N 114.492 -1.231 . . . . 0.0 111.04 178.358 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 27.2 t 66.58 44.97 2.15 Favored 'General case' 0 C--N 1.389 2.301 0 CA-C-N 120.3 1.409 . . . . 0.0 107.795 172.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.9 t30 64.57 100.22 0.04 OUTLIER 'General case' 0 C--N 1.394 2.516 0 C-N-CA 127.149 2.179 . . . . 0.0 107.825 177.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.6 tp . . . . . 0 C--N 1.39 2.346 0 N-CA-C 104.958 -2.238 . . . . 0.0 104.958 -179.149 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.474 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.535 3.816 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 65.8 mt -82.39 126.57 40.0 Favored 'Isoleucine or valine' 0 C--N 1.395 2.553 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 -178.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -151.81 138.9 19.15 Favored 'General case' 0 C--N 1.393 2.466 0 N-CA-C 107.081 -1.452 . . . . 0.0 107.081 176.581 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -94.69 152.11 18.74 Favored 'General case' 0 C--N 1.4 2.771 0 N-CA-C 115.97 1.841 . . . . 0.0 115.97 -160.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -128.27 57.21 1.58 Allowed 'General case' 0 C--N 1.386 2.165 0 N-CA-C 103.859 -2.645 . . . . 0.0 103.859 175.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.193 13.3 m170 -98.53 -165.3 1.23 Allowed 'General case' 0 C--N 1.385 2.113 0 C-N-CA 128.382 2.673 . . . . 0.0 111.165 175.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.473 ' H ' ' HA ' ' A' ' 11' ' ' PRO 0.361 4.5 mp 76.57 -179.14 0.14 Allowed 'General case' 0 C--N 1.385 2.126 0 N-CA-C 116.027 1.862 . . . . 0.0 116.027 170.354 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.82 -50.22 3.43 Favored Glycine 0 C--N 1.39 3.546 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.094 -171.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 88.2 m -166.9 -38.09 0.02 OUTLIER 'General case' 0 C--N 1.382 1.983 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 -175.345 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -113.5 112.19 48.88 Favored Pre-proline 0 C--N 1.389 2.287 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -178.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.473 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 36.9 Cg_exo -86.93 -3.26 8.11 Favored 'Trans proline' 0 CA--C 1.593 3.465 0 N-CA-C 120.165 3.102 . . . . 0.0 120.165 179.252 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -76.5 -21.85 12.8 Favored 'Trans proline' 0 C--N 1.398 3.157 1 N-CA-C 126.227 5.434 . . . . 0.0 126.227 -172.503 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.4 p -92.56 142.2 27.65 Favored 'General case' 0 C--N 1.394 2.511 0 CA-C-N 125.152 3.615 . . . . 0.0 115.177 -173.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 59.1 p -128.42 144.07 51.08 Favored 'General case' 0 C--N 1.379 1.867 0 CA-C-N 112.006 -2.361 . . . . 0.0 108.842 -177.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -112.45 99.68 8.18 Favored 'General case' 0 C--N 1.384 2.08 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 -167.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.4 m -75.63 100.17 4.54 Favored 'General case' 0 C--N 1.391 2.403 0 N-CA-C 101.965 -3.346 . . . . 0.0 101.965 171.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 38.2 t -115.38 154.13 29.77 Favored 'General case' 0 C--N 1.384 2.065 0 CA-C-O 123.524 1.63 . . . . 0.0 110.421 -172.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -99.27 -12.25 20.54 Favored 'General case' 0 C--N 1.374 1.632 0 CA-C-N 112.677 -2.056 . . . . 0.0 111.564 -171.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -70.5 113.08 7.27 Favored 'General case' 0 C--N 1.395 2.545 0 N-CA-C 102.612 -3.107 . . . . 0.0 102.612 171.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.2 68.6 m-20 -59.09 8.45 0.01 OUTLIER 'General case' 0 C--N 1.389 2.301 0 C-N-CA 130.44 3.496 . . . . 0.0 117.071 -169.524 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.4 p -153.46 149.68 28.0 Favored 'General case' 0 C--N 1.377 1.797 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 171.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.1 p -142.03 163.81 31.88 Favored 'General case' 0 C--N 1.38 1.915 0 C-N-CA 118.009 -1.476 . . . . 0.0 113.313 -175.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 44.1 p90 -130.43 149.93 51.88 Favored 'General case' 0 C--N 1.381 1.957 0 CA-C-O 123.331 1.539 . . . . 0.0 114.986 -162.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt -107.61 113.15 26.25 Favored 'General case' 0 C--N 1.384 2.087 0 N-CA-C 105.367 -2.086 . . . . 0.0 105.367 -178.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.44 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 1.2 t30 -115.86 128.95 56.2 Favored 'General case' 0 CA--C 1.586 2.364 0 C-N-CA 128.336 2.654 . . . . 0.0 105.552 -173.677 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -138.64 15.58 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.404 2.975 0 N-CA-C 116.832 2.16 . . . . 0.0 116.832 -151.601 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.55 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -120.21 -92.64 0.53 Allowed 'General case' 0 CA--C 1.581 2.142 0 C-N-CA 131.279 3.832 . . . . 0.0 105.523 -171.258 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.288 15.2 t 79.43 -90.62 0.02 OUTLIER 'General case' 0 C--N 1.387 2.235 0 C-N-CA 126.639 1.976 . . . . 0.0 108.795 174.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -172.32 -55.2 0.02 OUTLIER 'General case' 0 C--N 1.389 2.287 0 N-CA-C 105.843 -1.91 . . . . 0.0 105.843 -176.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -65.59 -7.65 16.02 Favored 'General case' 0 CA--C 1.579 2.074 0 C-N-CA 130.207 3.403 . . . . 0.0 113.209 175.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 t30 72.96 74.05 0.14 Allowed 'General case' 0 C--N 1.392 2.456 0 C-N-CA 127.285 2.234 . . . . 0.0 105.805 177.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 tp -157.35 160.31 2.2 Favored 'Isoleucine or valine' 0 C--N 1.395 2.574 0 C-N-CA 117.653 -1.619 . . . . 0.0 114.398 -169.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 93.2 mt -96.34 101.27 12.14 Favored 'Isoleucine or valine' 0 C--N 1.393 2.462 0 N-CA-C 104.746 -2.316 . . . . 0.0 104.746 174.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.45 116.54 10.49 Favored 'General case' 0 C--N 1.383 2.025 0 N-CA-C 102.076 -3.305 . . . . 0.0 102.076 -178.368 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.49 -170.9 3.72 Favored 'General case' 0 C--N 1.393 2.465 0 C-N-CA 118.193 -1.403 . . . . 0.0 114.733 -156.19 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -167.83 -162.94 20.85 Favored Glycine 0 C--N 1.394 3.765 0 C-N-CA 114.8 -3.571 . . . . 0.0 117.227 -173.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.3 p -110.29 126.12 53.86 Favored 'General case' 0 C--N 1.387 2.199 0 CA-C-O 123.017 1.389 . . . . 0.0 111.162 -177.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.19 -87.76 0.07 OUTLIER Glycine 0 C--N 1.392 3.692 0 N-CA-C 104.096 -3.602 . . . . 0.0 104.096 177.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.426 ' O ' ' SG ' ' A' ' 39' ' ' CYS 2.364 45.0 t 75.93 -50.62 0.62 Allowed 'General case' 0 C--N 1.388 2.271 0 C-N-CA 125.124 1.37 . . . . 0.0 111.96 176.713 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -76.22 74.44 3.04 Favored 'General case' 0 CA--C 1.581 2.172 0 N-CA-C 105.472 -2.048 . . . . 0.0 105.472 -176.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.8 t -121.38 82.86 39.59 Favored Pre-proline 0 C--N 1.388 2.273 0 N-CA-C 102.944 -2.984 . . . . 0.0 102.944 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -94.0 64.29 0.38 Allowed 'Trans proline' 0 C--N 1.399 3.19 0 N-CA-C 107.834 -1.641 . . . . 0.0 107.834 -172.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.44 143.46 30.91 Favored 'General case' 0 C--N 1.385 2.136 0 C-N-CA 124.443 1.097 . . . . 0.0 108.712 179.068 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.97 -36.76 6.24 Favored Glycine 0 C--N 1.392 3.649 0 CA-C-O 118.448 -1.196 . . . . 0.0 112.37 177.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -80.45 23.72 0.49 Allowed 'General case' 0 C--N 1.388 2.276 0 CA-C-N 119.1 1.45 . . . . 0.0 111.316 175.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.9 ttm -123.84 117.51 27.32 Favored Pre-proline 0 CA--C 1.583 2.215 0 N-CA-C 103.787 -2.672 . . . . 0.0 103.787 170.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -84.74 96.95 0.67 Allowed 'Trans proline' 0 C--N 1.397 3.126 0 N-CA-C 106.473 -2.164 . . . . 0.0 106.473 -173.004 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.25 147.64 18.68 Favored Glycine 0 C--N 1.392 3.66 0 O-C-N 120.978 -1.077 . . . . 0.0 115.347 -178.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -60.82 171.4 3.68 Favored 'Trans proline' 0 C--N 1.39 2.723 0 C-N-CA 124.986 3.791 . . . . 0.0 113.844 169.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -85.92 149.52 25.15 Favored 'General case' 0 C--N 1.387 2.223 0 C-N-CA 118.245 -1.382 . . . . 0.0 110.09 178.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.5 m -124.54 166.94 15.17 Favored 'General case' 0 C--N 1.39 2.358 0 N-CA-C 117.514 2.413 . . . . 0.0 117.514 -166.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -146.47 149.48 33.75 Favored 'General case' 0 C--N 1.381 1.956 0 CA-C-N 113.111 -1.859 . . . . 0.0 109.069 -178.086 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . 0.288 0.1 OUTLIER -127.5 32.98 4.92 Favored 'General case' 0 C--N 1.385 2.122 0 CA-C-O 122.202 1.001 . . . . 0.0 111.361 177.078 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.3 t -119.01 -177.73 3.4 Favored 'General case' 0 CA--C 1.577 2.008 0 C-N-CA 127.854 2.461 . . . . 0.0 110.028 176.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.554 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 45.1 t0 -83.59 114.13 21.31 Favored 'General case' 0 CA--C 1.586 2.356 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -175.539 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.554 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.271 3.9 mppt? 73.48 -63.61 0.43 Allowed 'General case' 0 C--N 1.402 2.884 0 C-N-CA 125.952 1.701 . . . . 0.0 111.881 178.773 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.294 67.8 m 75.84 53.64 0.06 Allowed 'General case' 0 C--N 1.376 1.736 0 C-N-CA 127.739 2.416 . . . . 0.0 109.079 -176.537 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 57.95 77.7 0.27 Allowed 'General case' 0 C--N 1.389 2.292 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 169.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.9 tp . . . . . 0 CA--C 1.583 2.217 0 N-CA-C 103.098 -2.927 . . . . 0.0 103.098 -175.083 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.501 ' HG2' HH11 ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.538 3.948 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.0 mt -144.38 134.52 20.11 Favored 'Isoleucine or valine' 0 C--N 1.387 2.223 0 CA-C-N 119.73 1.15 . . . . 0.0 110.023 -172.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 99.5 m -136.1 151.11 49.46 Favored 'General case' 0 CA--C 1.593 2.611 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 166.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -94.27 135.55 35.54 Favored 'General case' 0 C--N 1.398 2.692 0 C-N-CA 118.45 -1.3 . . . . 0.0 114.447 -161.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -126.81 5.35 6.65 Favored 'General case' 0 C--N 1.395 2.581 0 O-C-N 121.314 -0.866 . . . . 0.0 113.069 -171.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.107 0.4 OUTLIER -72.4 -33.62 67.3 Favored 'General case' 0 C--N 1.382 2.001 0 C-N-CA 124.231 1.012 . . . . 0.0 113.362 -165.113 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.5 mt -58.39 -170.69 0.01 OUTLIER 'General case' 0 C--N 1.385 2.129 0 C-N-CA 128.403 2.681 . . . . 0.0 116.174 -173.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.04 38.91 17.7 Favored Glycine 0 C--N 1.388 3.455 0 CA-C-O 117.556 -1.691 . . . . 0.0 112.544 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.4 m 94.17 -37.7 0.02 OUTLIER 'General case' 0 C--N 1.393 2.497 0 C-N-CA 129.844 3.257 . . . . 0.0 110.02 -178.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.432 ' NZ ' ' OD2' ' A' ' 30' ' ' ASP . 7.5 mptt -64.74 159.1 64.86 Favored Pre-proline 0 CA--C 1.587 2.368 0 C-N-CA 123.705 0.802 . . . . 0.0 110.149 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -74.91 158.99 42.21 Favored 'Trans proline' 0 C--N 1.4 3.253 0 N-CA-C 114.173 0.797 . . . . 0.0 114.173 -175.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.6 OUTLIER -53.95 138.98 70.35 Favored 'Trans proline' 0 C--N 1.396 3.044 0 C-N-CA 122.392 2.062 . . . . 0.0 115.097 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.263 0.1 OUTLIER 174.19 164.0 0.2 Allowed 'General case' 0 C--N 1.392 2.445 0 CA-C-O 122.913 1.34 . . . . 0.0 108.252 -179.137 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.2 p -136.34 154.66 50.78 Favored 'General case' 0 C--N 1.385 2.121 0 C-N-CA 119.279 -0.969 . . . . 0.0 113.173 -171.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -92.34 95.72 9.85 Favored 'General case' 0 C--N 1.384 2.099 0 N-CA-C 104.006 -2.59 . . . . 0.0 104.006 -178.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 93.5 m -89.86 106.14 18.27 Favored 'General case' 0 C--N 1.387 2.226 0 N-CA-C 103.593 -2.743 . . . . 0.0 103.593 -178.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -124.68 155.82 38.59 Favored 'General case' 0 C--N 1.385 2.142 0 CA-C-O 121.919 0.866 . . . . 0.0 112.992 -167.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -98.69 2.23 46.93 Favored 'General case' 0 C--N 1.383 2.03 0 CA-C-O 117.818 -1.087 . . . . 0.0 111.692 175.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -93.9 158.73 15.5 Favored 'General case' 0 C--N 1.394 2.523 0 CA-C-N 121.915 2.143 . . . . 0.0 113.171 -173.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.116 0.9 OUTLIER -46.01 -42.8 13.7 Favored 'General case' 0 C--N 1.387 2.218 0 C-N-CA 129.774 3.23 . . . . 0.0 115.246 -169.801 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.0 m -140.27 154.61 46.9 Favored 'General case' 0 C--N 1.384 2.095 0 CA-C-O 122.622 1.201 . . . . 0.0 112.934 -172.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.291 20.5 p -139.03 148.22 43.11 Favored 'General case' 0 C--N 1.387 2.207 0 CA-C-O 123.164 1.459 . . . . 0.0 112.191 174.433 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -118.68 166.94 12.14 Favored 'General case' 0 C--N 1.386 2.155 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 -163.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.419 ' NZ ' ' OXT' ' A' ' 59' ' ' LEU . 7.1 mmtt -120.6 113.86 20.87 Favored 'General case' 0 C--N 1.386 2.153 0 N-CA-C 106.115 -1.809 . . . . 0.0 106.115 -177.352 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.6 ' H ' ' HB3' ' A' ' 35' ' ' ARG . 8.1 t-20 -115.32 117.05 29.36 Favored 'General case' 0 CA--C 1.574 1.881 0 N-CA-C 102.473 -3.158 . . . . 0.0 102.473 -174.132 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -114.47 -21.06 5.61 Favored 'Isoleucine or valine' 0 C--N 1.394 2.506 0 N-CA-C 116.44 2.015 . . . . 0.0 116.44 -151.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.527 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -90.01 -106.39 0.09 Allowed 'General case' 0 CA--C 1.596 2.717 1 C-N-CA 135.963 5.705 . . . . 0.0 109.663 -178.321 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.2 t 81.93 157.74 0.13 Allowed 'General case' 0 C--N 1.396 2.589 0 C-N-CA 126.725 2.01 . . . . 0.0 114.502 176.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -75.93 -47.3 25.75 Favored 'General case' 0 C--N 1.397 2.643 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 172.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.432 ' OD2' ' NZ ' ' A' ' 10' ' ' LYS . 23.6 p-10 -77.65 67.79 3.61 Favored 'General case' 0 C--N 1.388 2.261 0 N-CA-C 104.022 -2.584 . . . . 0.0 104.022 169.078 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -37.45 113.57 0.27 Allowed 'General case' 0 C--N 1.394 2.527 0 C-N-CA 129.014 2.926 . . . . 0.0 109.995 -167.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.5 tp 179.57 164.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.403 2.925 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -172.047 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 23.8 mt -90.53 99.45 9.59 Favored 'Isoleucine or valine' 0 C--N 1.397 2.648 0 N-CA-C 102.954 -2.98 . . . . 0.0 102.954 165.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.523 HH11 ' HG2' ' A' ' 34' ' ' ARG . 4.5 ttp85 -144.48 122.49 12.08 Favored 'General case' 0 C--N 1.382 2.014 0 N-CA-C 103.595 -2.743 . . . . 0.0 103.595 -176.543 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.6 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -158.8 -173.95 4.52 Favored 'General case' 0 C--N 1.389 2.288 0 C-N-CA 117.535 -1.666 . . . . 0.0 112.754 -156.323 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 175.33 -166.69 38.32 Favored Glycine 0 C--N 1.393 3.736 1 C-N-CA 112.214 -4.803 . . . . 0.0 120.576 -167.308 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.0 t -74.91 113.61 12.42 Favored 'General case' 0 C--N 1.386 2.153 0 CA-C-N 113.173 -1.514 . . . . 0.0 108.816 -176.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.63 -103.36 0.17 Allowed Glycine 0 C--N 1.396 3.881 0 N-CA-C 106.277 -2.729 . . . . 0.0 106.277 174.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.317 50.2 t 91.53 -45.27 0.02 OUTLIER 'General case' 0 C--N 1.384 2.089 0 CA-C-O 121.705 0.765 . . . . 0.0 112.079 175.12 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -90.92 81.88 5.67 Favored 'General case' 0 C--N 1.385 2.132 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 -168.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.3 t -111.49 100.69 48.7 Favored Pre-proline 0 C--N 1.389 2.302 0 N-CA-C 106.514 -1.661 . . . . 0.0 106.514 -178.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -96.3 62.57 0.15 Allowed 'Trans proline' 0 C--N 1.402 3.354 0 N-CA-C 104.841 -2.792 . . . . 0.0 104.841 178.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.33 120.01 12.53 Favored 'General case' 0 C--N 1.384 2.081 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -177.64 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.01 -16.05 75.76 Favored Glycine 0 C--N 1.393 3.74 0 O-C-N 120.786 -1.196 . . . . 0.0 112.923 174.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -100.59 27.3 5.93 Favored 'General case' 0 C--N 1.381 1.973 0 C-N-CA 126.41 1.884 . . . . 0.0 111.121 178.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -124.62 129.04 24.77 Favored Pre-proline 0 CA--C 1.573 1.855 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -72.98 100.77 1.25 Allowed 'Trans proline' 0 C--N 1.397 3.096 0 N-CA-C 106.201 -2.269 . . . . 0.0 106.201 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -78.18 113.31 3.68 Favored Glycine 0 CA--C 1.57 3.506 0 O-C-N 121.457 -0.777 . . . . 0.0 112.221 -176.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -62.21 171.84 4.79 Favored 'Trans proline' 0 C--N 1.392 2.83 0 C-N-CA 121.758 1.639 . . . . 0.0 111.52 166.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -96.59 163.04 13.19 Favored 'General case' 0 C--N 1.386 2.194 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.493 176.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.5 m -148.28 166.68 27.26 Favored 'General case' 0 C--N 1.398 2.698 0 N-CA-C 118.615 2.82 . . . . 0.0 118.615 -163.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.4 t -134.34 158.65 43.25 Favored 'General case' 0 C--N 1.385 2.147 0 CA-C-N 113.309 -1.768 . . . . 0.0 111.119 176.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -115.17 39.97 2.78 Favored 'General case' 0 C--N 1.384 2.103 0 CA-C-O 121.74 0.781 . . . . 0.0 110.228 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 38.5 m -154.55 171.12 19.95 Favored 'General case' 0 C--N 1.384 2.077 0 CA-C-O 122.151 0.976 . . . . 0.0 111.418 178.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -68.78 109.61 3.93 Favored 'General case' 0 CA--C 1.585 2.297 0 CA-C-O 123.063 1.411 . . . . 0.0 109.139 -173.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.269 0.0 OUTLIER 75.0 -73.33 0.1 Allowed 'General case' 0 C--N 1.395 2.555 0 C-N-CA 129.23 3.012 . . . . 0.0 109.821 -179.13 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 24.9 m 75.94 -49.49 0.6 Allowed 'General case' 0 C--N 1.384 2.104 0 C-N-CA 129.11 2.964 . . . . 0.0 110.97 -177.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -158.27 72.68 0.63 Allowed 'General case' 0 C--N 1.383 2.059 0 N-CA-C 104.324 -2.472 . . . . 0.0 104.324 -176.666 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.419 ' OXT' ' NZ ' ' A' ' 24' ' ' LYS . 47.5 mt . . . . . 0 CA--C 1.615 3.462 0 C-N-CA 125.95 1.7 . . . . 0.0 107.936 -175.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.526 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 1 N--CA 1.539 4.015 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.1 mp -102.17 122.89 54.99 Favored 'Isoleucine or valine' 0 C--N 1.393 2.469 0 CA-C-N 118.94 0.791 . . . . 0.0 109.415 -174.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.2 m -139.21 149.7 44.68 Favored 'General case' 0 C--N 1.391 2.376 0 CA-C-O 122.516 1.151 . . . . 0.0 108.279 169.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -93.31 168.28 11.18 Favored 'General case' 0 C--N 1.387 2.209 0 N-CA-C 115.154 1.539 . . . . 0.0 115.154 -162.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 43.1 p-10 -141.81 24.36 2.03 Favored 'General case' 0 C--N 1.387 2.226 0 C-N-CA 118.539 -1.264 . . . . 0.0 111.368 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.188 18.0 m170 -73.79 -150.88 0.03 OUTLIER 'General case' 0 CA--C 1.585 2.313 0 C-N-CA 125.083 1.353 . . . . 0.0 111.127 -177.25 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.455 ' H ' ' HA ' ' A' ' 11' ' ' PRO . 30.3 mt 62.3 -174.75 0.14 Allowed 'General case' 0 C--N 1.394 2.504 0 O-C-N 120.548 -1.345 . . . . 0.0 112.253 175.762 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.72 45.73 90.45 Favored Glycine 0 C--N 1.385 3.251 0 CA-C-O 117.924 -1.487 . . . . 0.0 110.702 179.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 92.4 m 112.53 -41.72 0.0 OUTLIER 'General case' 0 C--N 1.392 2.431 0 C-N-CA 129.932 3.293 . . . . 0.0 110.732 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -135.24 118.37 12.84 Favored Pre-proline 0 C--N 1.384 2.09 0 CA-C-O 118.06 -0.971 . . . . 0.0 110.633 -168.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.455 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 66.1 Cg_exo -87.77 -2.6 7.37 Favored 'Trans proline' 0 CA--C 1.598 3.685 0 N-CA-C 120.819 3.354 . . . . 0.0 120.819 175.245 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -67.66 -10.32 28.36 Favored 'Trans proline' 0 C--N 1.396 3.063 1 N-CA-C 125.846 5.287 . . . . 0.0 125.846 -174.459 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.7 p -126.58 158.06 37.22 Favored 'General case' 0 C--N 1.392 2.438 0 CA-C-N 125.51 3.777 . . . . 0.0 117.407 -176.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 57.8 p -139.51 157.93 45.0 Favored 'General case' 0 C--N 1.387 2.217 0 CA-C-N 112.414 -2.175 . . . . 0.0 111.578 -173.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -112.55 106.14 14.51 Favored 'General case' 0 C--N 1.39 2.345 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 -177.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.3 m -76.02 105.51 7.1 Favored 'General case' 0 C--N 1.395 2.568 0 N-CA-C 101.559 -3.497 . . . . 0.0 101.559 166.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.0 t -120.57 154.46 35.35 Favored 'General case' 0 C--N 1.393 2.467 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -165.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -110.11 3.38 20.18 Favored 'General case' 0 C--N 1.383 2.04 0 C-N-CA 125.649 1.579 . . . . 0.0 110.553 176.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -89.94 97.45 11.19 Favored 'General case' 0 C--N 1.395 2.555 0 N-CA-C 101.688 -3.449 . . . . 0.0 101.688 172.607 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.191 30.9 m-20 -42.64 -17.75 0.01 OUTLIER 'General case' 0 CA--C 1.582 2.196 1 C-N-CA 133.23 4.612 . . . . 0.0 118.369 -166.427 . . . . . . . . 4 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.1 t -129.94 142.2 50.68 Favored 'General case' 0 C--N 1.376 1.751 0 C-N-CA 125.607 1.563 . . . . 0.0 107.333 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -127.12 165.81 18.83 Favored 'General case' 0 C--N 1.383 2.057 0 CA-C-O 122.447 1.117 . . . . 0.0 112.178 177.582 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 48.7 p90 -138.55 158.69 43.78 Favored 'General case' 0 C--N 1.376 1.755 0 CA-C-N 113.586 -1.643 . . . . 0.0 114.086 -168.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.525 ' HZ3' ' C ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -111.35 119.85 40.24 Favored 'General case' 0 C--N 1.381 1.96 0 CA-C-N 111.58 -2.555 . . . . 0.0 105.598 177.851 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.45 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 4.9 t30 -120.02 119.66 34.04 Favored 'General case' 0 CA--C 1.584 2.25 0 N-CA-C 102.594 -3.113 . . . . 0.0 102.594 -178.089 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.68 35.97 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.397 2.652 0 N-CA-C 115.665 1.728 . . . . 0.0 115.665 -151.03 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.498 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -154.19 -95.29 0.04 OUTLIER 'General case' 0 CA--C 1.575 1.936 0 CA-C-N 113.04 -1.891 . . . . 0.0 106.222 -164.509 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.1 t 77.22 -11.42 1.2 Allowed 'General case' 0 C--N 1.391 2.376 0 CA-C-O 117.327 -1.321 . . . . 0.0 113.465 173.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . 0.312 74.6 t80 89.79 -45.85 0.02 OUTLIER 'General case' 0 C--N 1.392 2.43 0 CA-C-N 121.938 2.154 . . . . 0.0 109.697 -176.539 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -65.7 -9.85 31.4 Favored 'General case' 0 CA--C 1.584 2.268 0 CA-C-O 118.145 -0.931 . . . . 0.0 110.839 172.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.0 t30 76.17 69.92 0.07 Allowed 'General case' 0 C--N 1.396 2.621 0 C-N-CA 127.354 2.262 . . . . 0.0 107.153 172.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 tp -167.77 164.42 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.392 2.428 0 C-N-CA 117.452 -1.699 . . . . 0.0 113.522 -171.282 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.5 mt -92.79 102.92 14.12 Favored 'Isoleucine or valine' 0 C--N 1.383 2.027 0 N-CA-C 105.59 -2.004 . . . . 0.0 105.59 174.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.99 120.61 19.39 Favored 'General case' 0 C--N 1.387 2.237 0 N-CA-C 102.644 -3.095 . . . . 0.0 102.644 174.257 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.413 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -162.54 -161.02 0.69 Allowed 'General case' 0 C--N 1.384 2.104 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.809 -161.834 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 159.27 -155.95 27.05 Favored Glycine 0 C--N 1.388 3.461 0 C-N-CA 115.722 -3.132 . . . . 0.0 115.419 -177.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.1 p -96.09 123.99 39.92 Favored 'General case' 0 C--N 1.385 2.135 0 CA-C-O 123.338 1.542 . . . . 0.0 112.107 -175.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.43 -85.43 0.06 OUTLIER Glycine 0 C--N 1.393 3.71 0 N-CA-C 104.167 -3.573 . . . . 0.0 104.167 173.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.31 51.7 t 82.59 -42.49 0.12 Allowed 'General case' 0 C--N 1.391 2.38 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 171.437 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -89.84 64.24 6.33 Favored 'General case' 0 C--N 1.386 2.185 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 -166.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.4 t -102.97 135.57 19.39 Favored Pre-proline 0 C--N 1.389 2.305 0 CA-C-O 121.149 0.499 . . . . 0.0 110.391 -177.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -70.44 179.89 3.73 Favored 'Trans proline' 0 C--N 1.397 3.124 0 C-N-CA 121.067 1.178 . . . . 0.0 113.277 172.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.5 tpt85 -82.49 77.56 9.25 Favored 'General case' 0 C--N 1.39 2.358 0 N-CA-C 104.827 -2.286 . . . . 0.0 104.827 178.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.09 173.0 48.24 Favored Glycine 0 C--N 1.386 3.345 0 CA-C-O 122.315 0.953 . . . . 0.0 113.025 175.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -99.35 43.2 1.07 Allowed 'General case' 0 C--N 1.376 1.724 0 CA-C-O 123.723 1.725 . . . . 0.0 107.404 176.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.1 mtp -137.63 143.83 42.23 Favored Pre-proline 0 CA--C 1.578 2.047 0 C-N-CA 129.229 3.012 . . . . 0.0 105.947 175.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.46 138.96 36.71 Favored 'Trans proline' 0 C--N 1.39 2.721 0 CA-C-O 123.163 1.235 . . . . 0.0 112.67 -173.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.22 134.06 11.87 Favored Glycine 1 CA--C 1.586 4.488 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 178.006 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -73.25 173.07 14.33 Favored 'Trans proline' 0 C--N 1.388 2.615 0 C-N-CA 124.156 3.237 . . . . 0.0 110.894 175.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -96.35 141.05 30.14 Favored 'General case' 0 C--N 1.392 2.434 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 176.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.0 m -123.32 166.71 14.84 Favored 'General case' 0 C--N 1.392 2.444 0 N-CA-C 117.797 2.517 . . . . 0.0 117.797 -167.241 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.8 t -135.95 162.03 33.99 Favored 'General case' 0 C--N 1.379 1.886 0 CA-C-N 112.003 -2.362 . . . . 0.0 110.689 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . 0.254 0.2 OUTLIER -126.49 38.69 4.08 Favored 'General case' 0 C--N 1.381 1.967 0 CA-C-O 121.752 0.787 . . . . 0.0 109.978 176.092 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.431 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 9.0 t -134.45 173.55 11.51 Favored 'General case' 0 C--N 1.385 2.112 0 C-N-CA 125.106 1.362 . . . . 0.0 110.69 178.283 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.497 ' CG ' ' NZ ' ' A' ' 56' ' ' LYS . 40.1 t0 -73.72 120.24 19.05 Favored 'General case' 0 CA--C 1.582 2.177 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 -176.303 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.497 ' NZ ' ' CG ' ' A' ' 55' ' ' ASP 0.273 0.0 OUTLIER 71.68 -68.35 0.22 Allowed 'General case' 0 C--N 1.399 2.734 0 C-N-CA 127.25 2.22 . . . . 0.0 111.047 -179.953 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.431 ' SG ' ' HB3' ' A' ' 54' ' ' SER . 13.8 m 60.94 60.05 1.93 Allowed 'General case' 0 C--N 1.38 1.899 0 C-N-CA 127.721 2.408 . . . . 0.0 104.905 -170.548 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 52.8 t30 65.95 88.29 0.11 Allowed 'General case' 0 C--N 1.391 2.386 0 C-N-CA 125.066 1.346 . . . . 0.0 107.437 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.525 ' C ' ' HZ3' ' A' ' 24' ' ' LYS . 20.8 mt . . . . . 0 CA--C 1.6 2.894 0 C-N-CA 128.018 2.527 . . . . 0.0 110.646 176.013 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.463 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 1 N--CA 1.54 4.029 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.0 mp -87.7 117.0 30.76 Favored 'Isoleucine or valine' 0 C--N 1.397 2.661 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 178.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -146.21 145.64 30.51 Favored 'General case' 0 C--N 1.389 2.311 0 N-CA-C 106.747 -1.575 . . . . 0.0 106.747 174.302 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -93.66 148.13 22.39 Favored 'General case' 0 C--N 1.398 2.676 0 C-N-CA 117.258 -1.777 . . . . 0.0 114.82 -158.174 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -118.24 37.83 3.89 Favored 'General case' 0 C--N 1.389 2.318 0 O-C-N 120.841 -1.162 . . . . 0.0 108.978 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.209 26.0 m170 -81.13 -154.85 0.11 Allowed 'General case' 0 C--N 1.385 2.135 0 C-N-CA 127.207 2.203 . . . . 0.0 113.412 -173.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.303 11.3 mt 59.09 -169.89 0.13 Allowed 'General case' 0 C--N 1.385 2.12 0 CA-C-O 122.183 0.992 . . . . 0.0 111.53 176.096 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.85 -58.35 3.66 Favored Glycine 0 C--N 1.383 3.14 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.545 -177.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.4 m -168.67 -41.09 0.02 OUTLIER 'General case' 0 C--N 1.383 2.03 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 -170.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -114.26 105.78 53.63 Favored Pre-proline 0 CA--C 1.586 2.354 0 N-CA-C 106.376 -1.713 . . . . 0.0 106.376 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_exo -79.79 -0.59 10.81 Favored 'Trans proline' 0 C--N 1.408 3.671 0 N-CA-C 121.718 3.699 . . . . 0.0 121.718 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -81.88 -23.37 4.69 Favored 'Trans proline' 0 C--N 1.4 3.265 1 N-CA-C 125.912 5.312 . . . . 0.0 125.912 -173.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.8 p -83.22 137.08 34.18 Favored 'General case' 0 C--N 1.398 2.682 0 CA-C-N 124.712 3.415 . . . . 0.0 113.475 -173.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 52.9 p -116.93 138.05 51.8 Favored 'General case' 0 C--N 1.375 1.681 0 CA-C-N 112.308 -2.224 . . . . 0.0 105.479 172.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -100.25 93.38 5.66 Favored 'General case' 0 C--N 1.383 2.049 0 N-CA-C 106.163 -1.791 . . . . 0.0 106.163 -171.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.7 t -61.87 127.51 31.77 Favored 'General case' 0 C--N 1.398 2.678 0 N-CA-C 103.501 -2.777 . . . . 0.0 103.501 162.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 1' ' ' ARG . 7.8 t -142.89 146.75 34.36 Favored 'General case' 0 C--N 1.382 2.015 0 CA-C-O 122.886 1.327 . . . . 0.0 110.151 -175.399 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -100.05 2.33 43.21 Favored 'General case' 0 CA--C 1.574 1.895 0 CA-C-N 113.657 -1.611 . . . . 0.0 110.268 -177.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -79.39 115.49 19.06 Favored 'General case' 0 C--N 1.394 2.532 0 N-CA-C 103.453 -2.795 . . . . 0.0 103.453 172.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.21 54.9 m-20 -60.76 1.79 0.13 Allowed 'General case' 0 C--N 1.392 2.452 0 C-N-CA 128.072 2.549 . . . . 0.0 117.276 -166.051 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 86.0 p -150.15 148.16 28.62 Favored 'General case' 0 C--N 1.382 1.996 0 CA-C-N 121.265 1.848 . . . . 0.0 108.035 174.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 p -139.37 155.07 47.9 Favored 'General case' 0 C--N 1.386 2.184 0 CA-C-O 123.476 1.608 . . . . 0.0 113.101 -175.172 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -134.93 147.78 49.88 Favored 'General case' 0 C--N 1.378 1.83 0 CA-C-N 113.434 -1.712 . . . . 0.0 113.33 -165.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.506 ' HZ3' ' C ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -104.02 126.98 51.55 Favored 'General case' 0 C--N 1.385 2.133 0 CA-C-O 123.707 1.718 . . . . 0.0 106.997 178.286 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.616 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 7.1 t30 -117.82 129.74 55.85 Favored 'General case' 0 CA--C 1.579 2.094 0 N-CA-C 104.443 -2.429 . . . . 0.0 104.443 -175.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.3 pp -137.96 14.38 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.403 2.903 0 N-CA-C 116.853 2.168 . . . . 0.0 116.853 -148.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.616 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -126.34 -104.89 0.34 Allowed 'General case' 0 CA--C 1.585 2.313 1 C-N-CA 132.729 4.412 . . . . 0.0 105.222 -168.898 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.9 t 73.81 163.46 0.27 Allowed 'General case' 0 C--N 1.394 2.502 0 O-C-N 120.903 -1.123 . . . . 0.0 113.043 176.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -69.41 -46.38 66.96 Favored 'General case' 0 C--N 1.395 2.549 0 O-C-N 121.517 -0.74 . . . . 0.0 110.031 178.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -67.04 -5.0 11.26 Favored 'General case' 0 CA--C 1.578 2.053 0 C-N-CA 126.075 1.75 . . . . 0.0 112.161 176.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 65.52 74.85 0.37 Allowed 'General case' 0 C--N 1.398 2.703 0 CA-C-N 122.74 2.518 . . . . 0.0 106.643 174.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.1 tp -162.26 166.87 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.395 2.557 0 C-N-CA 118.524 -1.27 . . . . 0.0 114.313 -171.397 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -100.85 99.2 7.95 Favored 'Isoleucine or valine' 0 C--N 1.387 2.229 0 N-CA-C 104.973 -2.232 . . . . 0.0 104.973 176.588 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.47 136.79 16.65 Favored 'General case' 0 C--N 1.387 2.22 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 177.449 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.93 -171.73 0.67 Allowed 'General case' 0 C--N 1.4 2.784 0 C-N-CA 116.468 -2.093 . . . . 0.0 112.718 -148.169 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -172.66 -157.94 15.7 Favored Glycine 0 C--N 1.393 3.736 0 C-N-CA 113.908 -3.996 . . . . 0.0 117.978 -170.383 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.2 p -114.12 115.17 27.11 Favored 'General case' 0 C--N 1.387 2.202 0 CA-C-O 123.502 1.62 . . . . 0.0 110.225 -173.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.0 -81.11 0.05 OUTLIER Glycine 0 C--N 1.386 3.341 1 N-CA-C 101.056 -4.818 . . . . 0.0 101.056 177.377 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.419 ' SG ' ' N ' ' A' ' 40' ' ' PHE 2.362 42.7 t 73.14 -155.49 0.07 Allowed 'General case' 0 C--N 1.392 2.423 0 CA-C-O 123.721 1.724 . . . . 0.0 114.542 168.088 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.419 ' N ' ' SG ' ' A' ' 39' ' ' CYS 0.288 37.5 m-85 72.0 41.38 0.66 Allowed 'General case' 0 C--N 1.38 1.922 0 CA-C-N 112.35 -2.205 . . . . 0.0 109.605 179.343 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.7 p -92.52 140.59 24.07 Favored Pre-proline 0 C--N 1.394 2.543 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 170.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -53.4 147.9 35.52 Favored 'Trans proline' 0 C--N 1.394 2.943 0 C-N-CA 121.151 1.234 . . . . 0.0 111.565 173.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.408 HH21 ' CG ' ' A' ' 45' ' ' ASP 0.282 9.2 mmm-85 -95.65 32.78 1.75 Allowed 'General case' 0 C--N 1.393 2.471 0 N-CA-C 116.393 1.998 . . . . 0.0 116.393 -175.639 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -82.8 -11.47 81.53 Favored Glycine 0 CA--C 1.573 3.716 0 C-N-CA 119.069 -1.539 . . . . 0.0 109.721 153.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.408 ' CG ' HH21 ' A' ' 43' ' ' ARG 0.35 88.2 m-20 59.5 55.62 4.04 Favored 'General case' 0 C--N 1.389 2.284 0 C-N-CA 128.844 2.858 . . . . 0.0 107.257 -177.544 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -74.62 127.19 87.73 Favored Pre-proline 0 C--N 1.391 2.38 0 N-CA-C 105.814 -1.921 . . . . 0.0 105.814 170.397 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 0.0 OUTLIER 20.5 70.19 0.0 OUTLIER 'Trans proline' 0 C--N 1.407 3.636 0 C-N-CA 124.812 3.675 . . . . 0.0 112.532 177.433 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -150.69 163.55 29.67 Favored Glycine 0 C--N 1.388 3.439 0 CA-C-N 115.041 -0.981 . . . . 0.0 112.184 -178.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -65.16 169.43 12.18 Favored 'Trans proline' 0 C--N 1.386 2.521 0 CA-C-O 123.277 1.282 . . . . 0.0 109.451 167.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.12 109.62 16.59 Favored 'General case' 0 CA--C 1.58 2.099 0 N-CA-C 101.562 -3.495 . . . . 0.0 101.562 177.172 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 44.7 t -116.94 118.23 31.87 Favored 'General case' 0 C--N 1.395 2.545 0 CA-C-O 123.792 1.758 . . . . 0.0 110.489 -168.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 33.7 t -111.49 176.07 5.17 Favored 'General case' 0 C--N 1.383 2.023 0 C-N-CA 124.866 1.267 . . . . 0.0 113.296 179.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -149.8 63.49 0.99 Allowed 'General case' 0 C--N 1.386 2.187 0 CA-C-O 122.299 1.047 . . . . 0.0 108.998 -172.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.0 m -151.25 166.84 29.69 Favored 'General case' 0 C--N 1.382 2.0 0 C-N-CA 124.717 1.207 . . . . 0.0 109.0 176.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.509 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 25.3 t0 -64.14 120.14 11.52 Favored 'General case' 0 C--N 1.394 2.529 0 N-CA-C 106.458 -1.682 . . . . 0.0 106.458 -178.429 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.509 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.299 3.7 mptt 74.19 -65.84 0.33 Allowed 'General case' 0 C--N 1.399 2.739 0 C-N-CA 127.139 2.176 . . . . 0.0 109.331 -176.181 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 47.7 t 58.21 65.45 1.28 Allowed 'General case' 0 C--N 1.376 1.76 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -175.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 12.0 t30 63.66 81.16 0.21 Allowed 'General case' 0 C--N 1.387 2.2 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 173.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.506 ' C ' ' HZ3' ' A' ' 24' ' ' LYS . 82.5 mt . . . . . 0 CA--C 1.595 2.701 0 CA-C-O 116.216 -1.85 . . . . 0.0 108.356 176.848 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.485 HH21 ' CG ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 1 N--CA 1.542 4.142 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 . . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.6 mp -90.48 120.9 40.14 Favored 'Isoleucine or valine' 0 C--N 1.39 2.347 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 177.468 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 m -135.15 150.88 50.25 Favored 'General case' 0 C--N 1.388 2.248 0 N-CA-C 107.005 -1.479 . . . . 0.0 107.005 169.546 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -74.67 166.45 23.56 Favored 'General case' 0 C--N 1.384 2.1 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 -172.229 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -160.21 63.6 0.34 Allowed 'General case' 0 C--N 1.387 2.236 0 N-CA-C 103.212 -2.884 . . . . 0.0 103.212 170.693 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.223 17.9 m170 -110.68 -162.59 0.8 Allowed 'General case' 0 C--N 1.386 2.196 0 C-N-CA 127.054 2.142 . . . . 0.0 111.479 177.861 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.579 ' H ' ' HA ' ' A' ' 11' ' ' PRO . 24.8 mt 68.77 -174.21 0.19 Allowed 'General case' 0 C--N 1.38 1.902 0 C-N-CA 126.554 1.942 . . . . 0.0 114.598 175.668 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.76 -82.89 1.61 Allowed Glycine 0 C--N 1.383 3.194 0 N-CA-C 108.207 -1.957 . . . . 0.0 108.207 -179.283 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 85.3 m -117.73 -38.66 3.24 Favored 'General case' 0 C--N 1.378 1.817 0 C-N-CA 124.892 1.277 . . . . 0.0 110.438 -178.155 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -124.94 126.09 25.31 Favored Pre-proline 0 C--N 1.385 2.122 0 CA-C-O 118.034 -0.984 . . . . 0.0 108.908 -177.196 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.579 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 95.4 Cg_exo -87.64 -11.78 4.74 Favored 'Trans proline' 0 C--N 1.407 3.658 0 N-CA-C 121.476 3.606 . . . . 0.0 121.476 179.475 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -88.11 -19.17 2.09 Favored 'Trans proline' 0 C--N 1.4 3.261 1 N-CA-C 126.821 5.662 . . . . 0.0 126.821 -173.446 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 80.0 p -73.77 136.18 43.6 Favored 'General case' 0 C--N 1.395 2.558 0 CA-C-N 124.836 3.471 . . . . 0.0 112.278 -173.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 51.1 p -131.75 137.07 48.05 Favored 'General case' 0 C--N 1.376 1.757 0 CA-C-N 112.78 -2.009 . . . . 0.0 105.58 177.467 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -118.38 114.1 22.41 Favored 'General case' 0 C--N 1.384 2.081 0 CA-C-O 122.659 1.219 . . . . 0.0 110.705 -161.627 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.7 m -82.98 114.61 21.37 Favored 'General case' 0 C--N 1.387 2.236 0 N-CA-C 104.619 -2.363 . . . . 0.0 104.619 175.392 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 t -119.9 148.89 42.95 Favored 'General case' 0 C--N 1.39 2.331 0 O-C-N 120.962 -1.086 . . . . 0.0 112.245 -173.562 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.432 ' H ' ' CD ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -96.23 -14.78 22.44 Favored 'General case' 0 C--N 1.383 2.034 0 C-N-CA 125.707 1.603 . . . . 0.0 111.812 177.526 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -78.58 130.09 35.55 Favored 'General case' 0 C--N 1.394 2.521 0 N-CA-C 104.386 -2.45 . . . . 0.0 104.386 170.179 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.485 ' CG ' HH21 ' A' ' 1' ' ' ARG 2.11 31.6 m-20 -68.4 11.18 0.18 Allowed 'General case' 0 C--N 1.385 2.132 0 C-N-CA 127.734 2.414 . . . . 0.0 117.494 -169.095 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.1 m -153.81 152.07 30.27 Favored 'General case' 0 C--N 1.381 1.973 0 CA-C-N 121.487 1.948 . . . . 0.0 109.15 -177.334 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.0 p -140.62 160.51 39.86 Favored 'General case' 0 C--N 1.38 1.91 0 CA-C-N 114.059 -1.428 . . . . 0.0 112.085 -177.956 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -123.52 149.14 45.56 Favored 'General case' 0 C--N 1.376 1.733 0 CA-C-N 113.904 -1.498 . . . . 0.0 113.19 -166.747 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.532 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 0.7 OUTLIER -113.44 111.34 21.79 Favored 'General case' 0 C--N 1.386 2.194 0 N-CA-C 104.669 -2.345 . . . . 0.0 104.669 178.217 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.546 ' H ' ' HB3' ' A' ' 35' ' ' ARG . 1.1 t30 -116.46 118.19 32.0 Favored 'General case' 0 CA--C 1.585 2.312 0 N-CA-C 102.633 -3.099 . . . . 0.0 102.633 -177.494 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.71 -24.32 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.401 2.818 0 N-CA-C 117.687 2.477 . . . . 0.0 117.687 -152.858 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.597 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -61.54 -101.52 0.0 OUTLIER 'General case' 0 CA--C 1.587 2.391 0 C-N-CA 130.743 3.617 . . . . 0.0 107.474 166.307 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.7 t 73.78 153.99 0.15 Allowed 'General case' 0 C--N 1.394 2.531 0 CA-C-O 123.227 1.489 . . . . 0.0 109.765 -176.242 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -68.13 -32.54 72.89 Favored 'General case' 0 C--N 1.382 2.003 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.794 179.785 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 51.7 p30 -82.66 0.77 41.65 Favored 'General case' 0 CA--C 1.581 2.145 0 C-N-CA 126.343 1.857 . . . . 0.0 112.846 177.724 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 66.85 69.17 0.41 Allowed 'General case' 0 C--N 1.397 2.666 0 CA-C-N 122.164 2.256 . . . . 0.0 106.951 174.121 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 tp -162.39 162.68 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.395 2.561 0 C-N-CA 118.342 -1.343 . . . . 0.0 114.086 -172.415 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.3 mt -94.75 98.14 7.69 Favored 'Isoleucine or valine' 0 C--N 1.388 2.255 0 N-CA-C 105.807 -1.923 . . . . 0.0 105.807 176.898 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.401 HH11 ' HG2' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -141.15 115.03 9.09 Favored 'General case' 0 C--N 1.383 2.048 0 N-CA-C 103.347 -2.834 . . . . 0.0 103.347 -177.263 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.546 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -159.15 -167.42 2.07 Favored 'General case' 0 C--N 1.385 2.137 0 CA-C-N 113.275 -1.784 . . . . 0.0 111.905 -158.659 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 178.59 -164.14 32.46 Favored Glycine 0 C--N 1.39 3.533 1 C-N-CA 113.057 -4.402 . . . . 0.0 119.236 -172.132 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 40.0 t -86.75 112.32 21.57 Favored 'General case' 0 C--N 1.387 2.212 0 CA-C-N 114.118 -1.041 . . . . 0.0 109.029 -176.804 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.23 -82.04 0.05 OUTLIER Glycine 0 C--N 1.393 3.719 0 N-CA-C 105.352 -3.099 . . . . 0.0 105.352 173.322 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.374 17.6 t 64.37 -153.74 0.3 Allowed 'General case' 0 C--N 1.39 2.353 0 C-N-CA 119.115 -1.034 . . . . 0.0 111.061 -177.066 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 50.41 54.2 11.57 Favored 'General case' 0 C--N 1.385 2.132 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 174.098 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.8 t -113.93 93.81 31.13 Favored Pre-proline 0 C--N 1.399 2.718 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 -176.157 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -91.18 62.44 1.23 Allowed 'Trans proline' 0 C--N 1.402 3.352 0 N-CA-C 105.599 -2.5 . . . . 0.0 105.599 175.935 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -126.28 110.56 13.55 Favored 'General case' 0 C--N 1.389 2.284 0 N-CA-C 105.918 -1.882 . . . . 0.0 105.918 -178.37 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -103.74 -27.87 6.18 Favored Glycine 0 C--N 1.395 3.854 0 CA-C-O 116.694 -2.17 . . . . 0.0 114.748 -179.575 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -83.32 19.44 1.51 Allowed 'General case' 0 C--N 1.392 2.435 0 CA-C-N 121.787 2.794 . . . . 0.0 112.236 178.267 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 25.9 ttp -167.31 98.31 0.63 Allowed Pre-proline 0 C--N 1.375 1.685 0 N-CA-C 100.836 -3.764 . . . . 0.0 100.836 179.899 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -73.57 124.74 9.55 Favored 'Trans proline' 0 C--N 1.394 2.942 0 C-N-CA 117.515 -1.19 . . . . 0.0 110.232 -173.05 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.65 178.64 42.09 Favored Glycine 0 C--N 1.388 3.47 0 O-C-N 121.258 -0.901 . . . . 0.0 112.835 178.028 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -61.2 156.23 46.57 Favored 'Trans proline' 0 C--N 1.39 2.723 0 N-CA-C 107.903 -1.614 . . . . 0.0 107.903 169.732 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -74.39 147.66 41.92 Favored 'General case' 0 C--N 1.392 2.422 0 C-N-CA 117.418 -1.713 . . . . 0.0 110.076 -178.808 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.6 m -118.02 155.4 30.38 Favored 'General case' 0 C--N 1.389 2.286 0 CA-C-O 124.3 2.0 . . . . 0.0 115.258 -171.745 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 45.3 t -134.97 167.91 20.06 Favored 'General case' 0 C--N 1.375 1.7 0 CA-C-N 111.287 -2.688 . . . . 0.0 111.052 -178.202 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -146.99 46.37 1.17 Allowed 'General case' 0 C--N 1.379 1.858 0 CA-C-N 115.619 -0.718 . . . . 0.0 109.629 -179.191 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.5 p -137.3 174.11 10.95 Favored 'General case' 0 C--N 1.386 2.16 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 -175.608 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.481 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 26.2 t0 -73.82 129.37 37.77 Favored 'General case' 0 C--N 1.394 2.529 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 173.957 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.481 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 41.3 mmtm 73.4 -53.73 0.69 Allowed 'General case' 0 C--N 1.387 2.203 0 C-N-CA 128.09 2.556 . . . . 0.0 113.279 175.432 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 78.2 m 74.52 39.01 0.47 Allowed 'General case' 0 C--N 1.38 1.922 0 C-N-CA 125.826 1.65 . . . . 0.0 110.643 -177.508 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.298 0.2 OUTLIER 56.27 70.51 0.64 Allowed 'General case' 0 C--N 1.391 2.386 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 170.167 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.532 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 14.9 tp . . . . . 0 C--N 1.389 2.308 0 C-N-CA 126.766 2.026 . . . . 0.0 106.307 173.961 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.497 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.534 3.761 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 . . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.8 mp -96.26 130.22 45.23 Favored 'Isoleucine or valine' 0 C--N 1.391 2.389 0 CA-C-O 122.106 0.955 . . . . 0.0 110.742 -175.437 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.9 m -140.99 155.19 46.26 Favored 'General case' 0 C--N 1.389 2.316 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 166.889 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -95.21 152.34 18.45 Favored 'General case' 0 C--N 1.386 2.173 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -165.832 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.0 p-10 -136.8 32.26 2.72 Favored 'General case' 0 C--N 1.392 2.428 0 C-N-CA 118.987 -1.085 . . . . 0.0 111.777 -174.77 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.212 5.5 m170 -81.25 -145.27 0.05 Allowed 'General case' 0 C--N 1.383 2.042 0 CA-C-O 122.513 1.149 . . . . 0.0 111.24 -173.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.627 ' H ' ' HA ' ' A' ' 11' ' ' PRO . 92.2 mt 62.48 -179.2 0.14 Allowed 'General case' 0 C--N 1.384 2.077 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 172.629 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 46.24 61.3 4.12 Favored Glycine 0 C--N 1.39 3.549 0 CA-C-O 116.71 -2.161 . . . . 0.0 112.117 175.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.2 m 115.83 -41.16 0.01 OUTLIER 'General case' 0 C--N 1.394 2.518 0 C-N-CA 128.984 2.914 . . . . 0.0 110.51 175.739 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -140.57 110.22 6.79 Favored Pre-proline 0 CA--C 1.581 2.157 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -176.362 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.627 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 88.8 Cg_exo -79.52 -6.48 14.55 Favored 'Trans proline' 0 CA--C 1.593 3.454 1 N-CA-C 124.051 4.597 . . . . 0.0 124.051 -177.003 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -92.71 -23.07 0.35 Allowed 'Trans proline' 0 C--N 1.398 3.183 1 N-CA-C 125.353 5.097 . . . . 0.0 125.353 -171.944 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.2 p -84.56 161.61 20.13 Favored 'General case' 0 C--N 1.393 2.464 0 CA-C-N 123.409 2.822 . . . . 0.0 118.22 -170.374 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 35.3 p -139.41 154.62 47.84 Favored 'General case' 0 C--N 1.377 1.798 0 CA-C-N 110.444 -3.071 . . . . 0.0 109.954 -172.65 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -121.07 96.87 5.27 Favored 'General case' 0 C--N 1.383 2.05 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 -171.221 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.1 t -78.83 116.35 19.11 Favored 'General case' 0 C--N 1.393 2.476 0 N-CA-C 103.269 -2.863 . . . . 0.0 103.269 170.499 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.6 t -140.67 148.46 40.87 Favored 'General case' 0 C--N 1.394 2.506 0 CA-C-O 123.566 1.65 . . . . 0.0 113.365 -164.238 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -95.41 22.01 7.45 Favored 'General case' 0 C--N 1.381 1.948 0 CA-C-N 112.494 -2.139 . . . . 0.0 112.879 -176.57 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -104.02 121.78 43.88 Favored 'General case' 0 C--N 1.383 2.024 0 N-CA-C 102.518 -3.142 . . . . 0.0 102.518 170.471 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.497 ' OD2' ' N ' ' A' ' 1' ' ' ARG 2.17 58.5 m-20 -63.89 2.89 0.44 Allowed 'General case' 0 C--N 1.388 2.271 0 C-N-CA 126.404 1.882 . . . . 0.0 115.577 -172.98 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.2 p -152.55 159.0 43.31 Favored 'General case' 0 C--N 1.383 2.025 0 CA-C-N 120.317 1.417 . . . . 0.0 108.609 179.249 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.5 p -139.87 163.21 33.24 Favored 'General case' 0 C--N 1.376 1.722 0 CA-C-N 114.527 -1.215 . . . . 0.0 111.358 178.717 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -120.02 155.84 32.08 Favored 'General case' 0 C--N 1.374 1.654 0 CA-C-O 122.692 1.234 . . . . 0.0 113.555 -171.772 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.414 ' HZ3' ' C ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -108.25 112.62 25.2 Favored 'General case' 0 CA--C 1.581 2.165 0 N-CA-C 103.42 -2.808 . . . . 0.0 103.42 174.504 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.586 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 4.2 t30 -117.06 120.26 37.82 Favored 'General case' 0 CA--C 1.584 2.25 0 N-CA-C 103.027 -2.953 . . . . 0.0 103.027 179.358 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -132.91 -27.98 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.402 2.884 0 N-CA-C 118.506 2.78 . . . . 0.0 118.506 -153.847 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.586 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -66.1 -110.2 0.0 OUTLIER 'General case' 0 CA--C 1.585 2.292 1 C-N-CA 133.242 4.617 . . . . 0.0 108.229 176.321 . . . . . . . . 4 4 . 1 . 022 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 t 79.34 157.39 0.16 Allowed 'General case' 0 C--N 1.395 2.572 0 C-N-CA 124.755 1.222 . . . . 0.0 112.325 179.087 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -65.68 -52.97 47.32 Favored 'General case' 0 C--N 1.397 2.637 0 N-CA-C 106.616 -1.624 . . . . 0.0 106.616 172.699 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -78.42 87.07 4.44 Favored 'General case' 0 C--N 1.382 2.014 0 N-CA-C 103.664 -2.717 . . . . 0.0 103.664 173.754 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -52.28 112.6 0.83 Allowed 'General case' 0 C--N 1.397 2.638 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -168.578 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 tp -170.62 157.96 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.4 2.795 0 C-N-CA 118.536 -1.266 . . . . 0.0 112.874 -174.621 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.8 mp -98.95 99.89 9.44 Favored 'Isoleucine or valine' 0 C--N 1.388 2.274 0 N-CA-C 104.563 -2.384 . . . . 0.0 104.563 179.578 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.68 107.02 5.79 Favored 'General case' 0 C--N 1.38 1.915 0 N-CA-C 102.021 -3.326 . . . . 0.0 102.021 -174.894 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.474 ' HB3' ' H ' ' A' ' 25' ' ' ASN 0.254 0.0 OUTLIER -147.29 -165.17 2.18 Favored 'General case' 0 C--N 1.386 2.19 0 CA-C-N 113.977 -1.465 . . . . 0.0 113.476 -158.763 . . . . . . . . 4 4 . 1 . 022 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 174.29 -175.98 46.66 Favored Glycine 0 C--N 1.395 3.809 1 C-N-CA 113.078 -4.392 . . . . 0.0 119.859 -169.726 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.6 p -85.9 118.02 25.12 Favored 'General case' 0 C--N 1.393 2.458 0 CA-C-O 123.311 1.529 . . . . 0.0 109.727 -178.64 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.5 -94.61 0.1 OUTLIER Glycine 0 C--N 1.391 3.613 0 N-CA-C 104.081 -3.608 . . . . 0.0 104.081 175.448 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.345 51.1 t 71.52 -158.37 0.12 Allowed 'General case' 0 C--N 1.386 2.181 0 CA-C-O 122.007 0.908 . . . . 0.0 112.421 179.003 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 53.35 42.96 32.0 Favored 'General case' 0 CA--C 1.58 2.13 0 CA-C-N 114.959 -1.018 . . . . 0.0 108.417 177.082 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.0 t -118.12 141.5 29.51 Favored Pre-proline 0 C--N 1.39 2.33 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.015 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -60.05 131.88 41.6 Favored 'Trans proline' 0 C--N 1.396 3.041 0 N-CA-C 107.062 -1.938 . . . . 0.0 107.062 175.767 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.6 tpt85 -147.58 98.28 2.96 Favored 'General case' 0 C--N 1.385 2.114 0 N-CA-C 105.319 -2.104 . . . . 0.0 105.319 179.679 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -95.02 -92.94 1.7 Allowed Glycine 0 C--N 1.389 3.502 1 N-CA-C 102.129 -4.388 . . . . 0.0 102.129 167.645 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.332 1.0 OUTLIER -149.41 63.35 1.02 Allowed 'General case' 0 C--N 1.389 2.292 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 165.204 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.4 ptt? -121.62 -154.33 0.02 OUTLIER Pre-proline 0 CA--C 1.599 2.854 0 CA-C-N 112.998 -1.91 . . . . 0.0 108.277 171.043 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -66.13 154.1 75.43 Favored 'Trans proline' 0 C--N 1.401 3.314 0 CA-C-N 121.462 1.558 . . . . 0.0 113.386 177.884 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 132.4 144.27 5.26 Favored Glycine 0 C--N 1.39 3.535 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -179.621 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -71.74 165.23 33.18 Favored 'Trans proline' 0 C--N 1.39 2.754 0 N-CA-C 108.273 -1.472 . . . . 0.0 108.273 168.782 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.402 ' CE2' ' HB3' ' A' ' 24' ' ' LYS . 6.5 p90 -96.39 145.1 25.93 Favored 'General case' 0 C--N 1.383 2.028 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.378 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.2 m -119.56 157.94 27.35 Favored 'General case' 0 C--N 1.391 2.405 0 N-CA-C 116.733 2.123 . . . . 0.0 116.733 -165.72 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.4 t -134.86 160.43 38.27 Favored 'General case' 0 C--N 1.382 1.99 0 CA-C-N 113.295 -1.775 . . . . 0.0 110.251 177.221 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -134.95 53.89 1.97 Allowed 'General case' 0 C--N 1.386 2.161 0 CA-C-O 122.512 1.148 . . . . 0.0 110.536 -172.761 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.0 t -151.32 169.92 20.78 Favored 'General case' 0 C--N 1.377 1.788 0 C-N-CA 126.618 1.967 . . . . 0.0 107.633 174.108 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.538 ' CG ' ' NZ ' ' A' ' 56' ' ' LYS . 35.3 p-10 -69.37 140.15 54.21 Favored 'General case' 0 C--N 1.388 2.25 0 C-N-CA 117.302 -1.759 . . . . 0.0 108.468 172.734 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.538 ' NZ ' ' CG ' ' A' ' 55' ' ' ASP . 1.0 OUTLIER 70.71 -80.35 0.04 OUTLIER 'General case' 0 C--N 1.391 2.372 0 C-N-CA 125.384 1.474 . . . . 0.0 111.173 177.244 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.26 56.9 m 68.03 70.88 0.32 Allowed 'General case' 0 C--N 1.384 2.071 0 N-CA-C 102.731 -3.063 . . . . 0.0 102.731 -165.62 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.25 29.3 t30 81.18 -62.76 0.19 Allowed 'General case' 0 C--N 1.39 2.342 0 C-N-CA 129.813 3.245 . . . . 0.0 108.797 -178.64 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.414 ' C ' ' HZ3' ' A' ' 24' ' ' LYS . 2.5 pt? . . . . . 0 CA--C 1.58 2.134 0 N-CA-C 103.888 -2.634 . . . . 0.0 103.888 175.91 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 1 N--CA 1.546 4.367 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.4 mp -93.14 124.26 45.51 Favored 'Isoleucine or valine' 0 C--N 1.395 2.561 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 178.064 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -142.38 178.96 7.23 Favored 'General case' 0 C--N 1.385 2.126 0 O-C-N 121.34 -0.85 . . . . 0.0 109.75 173.212 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -107.31 160.59 15.5 Favored 'General case' 0 C--N 1.382 1.985 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -172.547 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 45.0 p-10 -158.74 36.05 0.22 Allowed 'General case' 0 C--N 1.392 2.42 0 C-N-CA 118.966 -1.094 . . . . 0.0 109.797 -179.678 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.2 6.7 m170 -77.26 -159.62 0.14 Allowed 'General case' 0 C--N 1.384 2.097 0 C-N-CA 125.061 1.344 . . . . 0.0 112.848 -176.888 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.509 ' H ' ' HA ' ' A' ' 11' ' ' PRO 0.342 84.7 mt 69.04 -176.33 0.2 Allowed 'General case' 0 C--N 1.384 2.066 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 172.05 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.51 -97.36 1.82 Allowed Glycine 0 C--N 1.384 3.242 0 N-CA-C 106.382 -2.687 . . . . 0.0 106.382 -167.236 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.0 m -103.32 -43.0 5.56 Favored 'General case' 0 C--N 1.383 2.022 0 C-N-CA 124.412 1.085 . . . . 0.0 111.227 -178.121 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -117.33 121.18 32.54 Favored Pre-proline 0 C--N 1.385 2.139 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -174.78 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.509 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 91.1 Cg_exo -81.78 -19.86 6.99 Favored 'Trans proline' 0 CA--C 1.59 3.318 0 N-CA-C 119.377 2.799 . . . . 0.0 119.377 -179.868 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.6 OUTLIER -79.27 -15.34 12.77 Favored 'Trans proline' 0 C--N 1.4 3.246 1 N-CA-C 127.877 6.068 . . . . 0.0 127.877 -174.568 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.7 p -82.28 137.01 34.95 Favored 'General case' 0 C--N 1.397 2.644 1 CA-C-N 126.503 4.229 . . . . 0.0 114.707 -172.436 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 58.8 p -142.44 141.32 32.18 Favored 'General case' 0 C--N 1.376 1.757 0 C-N-CA 129.188 2.995 . . . . 0.0 105.357 178.649 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -168.55 153.41 6.21 Favored 'General case' 0 C--N 1.387 2.208 0 C-N-CA 115.021 -2.672 . . . . 0.0 114.21 -165.895 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.1 t -73.23 132.25 42.95 Favored 'General case' 0 C--N 1.386 2.164 0 CA-C-N 113.548 -1.66 . . . . 0.0 108.032 175.895 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.6 t -127.84 150.34 49.89 Favored 'General case' 0 C--N 1.381 1.936 0 CA-C-O 123.828 1.775 . . . . 0.0 110.41 179.761 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -90.36 -18.76 24.93 Favored 'General case' 0 C--N 1.376 1.757 0 CA-C-N 111.906 -2.406 . . . . 0.0 112.046 -174.105 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -76.01 124.59 27.63 Favored 'General case' 0 C--N 1.394 2.518 0 N-CA-C 105.323 -2.102 . . . . 0.0 105.323 172.805 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.109 37.2 m-20 -66.23 4.73 0.65 Allowed 'General case' 0 CA--C 1.581 2.166 0 C-N-CA 127.824 2.449 . . . . 0.0 116.443 -172.027 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.0 t -140.91 139.82 34.4 Favored 'General case' 0 C--N 1.382 1.984 0 CA-C-N 120.727 1.603 . . . . 0.0 107.705 -178.087 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.2 p -140.14 140.3 35.96 Favored 'General case' 0 C--N 1.388 2.272 0 CA-C-O 124.089 1.899 . . . . 0.0 110.585 179.683 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -127.51 155.2 44.12 Favored 'General case' 0 C--N 1.384 2.101 0 CA-C-N 113.313 -1.767 . . . . 0.0 115.449 -158.265 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -98.02 107.26 19.7 Favored 'General case' 0 C--N 1.389 2.313 0 N-CA-C 106.082 -1.821 . . . . 0.0 106.082 -179.132 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.514 ' H ' ' HB3' ' A' ' 35' ' ' ARG . 2.0 t30 -117.58 117.48 29.52 Favored 'General case' 0 CA--C 1.58 2.128 0 N-CA-C 104.924 -2.251 . . . . 0.0 104.924 -177.686 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.06 -22.15 2.41 Favored 'Isoleucine or valine' 0 C--N 1.393 2.49 0 N-CA-C 115.856 1.798 . . . . 0.0 115.856 -154.636 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.53 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -84.75 -99.25 0.06 Allowed 'General case' 0 CA--C 1.578 2.054 1 C-N-CA 134.206 5.002 . . . . 0.0 107.865 179.496 . . . . . . . . 4 4 . 1 . 023 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.2 t 72.92 157.4 0.19 Allowed 'General case' 0 C--N 1.393 2.464 0 C-N-CA 124.903 1.281 . . . . 0.0 108.882 -174.101 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -60.21 -54.37 46.65 Favored 'General case' 0 C--N 1.387 2.234 0 N-CA-C 107.694 -1.225 . . . . 0.0 107.694 177.245 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -65.54 105.48 1.21 Allowed 'General case' 0 C--N 1.381 1.974 0 N-CA-C 103.813 -2.662 . . . . 0.0 103.813 168.406 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -63.09 110.9 1.97 Allowed 'General case' 0 C--N 1.403 2.923 0 O-C-N 120.199 -1.563 . . . . 0.0 106.971 -172.385 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.6 tp -173.3 151.93 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.396 2.623 0 CA-C-O 122.732 1.253 . . . . 0.0 110.158 -168.957 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 24.1 mt -85.41 115.79 27.61 Favored 'Isoleucine or valine' 0 C--N 1.386 2.175 0 N-CA-C 104.484 -2.413 . . . . 0.0 104.484 172.109 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.442 HH11 ' HG2' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -155.77 85.85 1.05 Allowed 'General case' 0 C--N 1.386 2.174 0 N-CA-C 102.147 -3.279 . . . . 0.0 102.147 -179.157 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.514 ' HB3' ' H ' ' A' ' 25' ' ' ASN 0.255 0.0 OUTLIER -110.81 -170.85 1.71 Allowed 'General case' 0 C--N 1.374 1.633 0 CA-C-N 110.715 -2.948 . . . . 0.0 114.081 -168.39 . . . . . . . . 4 4 . 1 . 023 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -179.76 -173.23 44.63 Favored Glycine 0 C--N 1.398 3.975 1 C-N-CA 111.881 -4.961 . . . . 0.0 119.283 -169.026 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.8 p -104.89 106.37 16.83 Favored 'General case' 0 C--N 1.383 2.048 0 CA-C-O 122.931 1.348 . . . . 0.0 108.337 -179.386 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.78 -87.87 0.07 OUTLIER Glycine 0 C--N 1.389 3.508 0 N-CA-C 104.373 -3.491 . . . . 0.0 104.373 177.283 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.367 36.0 t 68.01 -144.74 0.12 Allowed 'General case' 0 C--N 1.389 2.31 0 CA-C-O 122.174 0.988 . . . . 0.0 110.366 177.603 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 51.78 34.54 13.37 Favored 'General case' 0 C--N 1.385 2.142 0 C-N-CA 124.758 1.223 . . . . 0.0 110.508 177.756 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -126.89 103.23 24.07 Favored Pre-proline 0 C--N 1.381 1.972 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 -175.035 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -55.16 141.84 79.23 Favored 'Trans proline' 0 C--N 1.393 2.874 0 C-N-CA 120.958 1.105 . . . . 0.0 110.259 172.818 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.424 HH12 ' CG ' ' A' ' 45' ' ' ASP . 9.2 ttt-85 -99.69 100.13 11.07 Favored 'General case' 0 C--N 1.386 2.165 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 -178.818 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.55 -93.01 0.52 Allowed Glycine 0 C--N 1.395 3.815 0 N-CA-C 103.149 -3.98 . . . . 0.0 103.149 169.132 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.424 ' CG ' HH12 ' A' ' 43' ' ' ARG 0.383 0.3 OUTLIER -138.3 47.15 2.0 Favored 'General case' 0 C--N 1.392 2.43 0 CA-C-O 122.705 1.24 . . . . 0.0 107.769 163.971 . . . . . . . . 4 4 . 1 . 023 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 54.8 mtm -97.48 156.22 36.4 Favored Pre-proline 0 C--N 1.388 2.264 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 168.099 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -68.56 97.33 0.53 Allowed 'Trans proline' 0 C--N 1.39 2.753 0 N-CA-C 107.009 -1.958 . . . . 0.0 107.009 176.43 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -121.63 112.61 2.1 Favored Glycine 0 CA--C 1.568 3.352 0 N-CA-C 104.935 -3.266 . . . . 0.0 104.935 178.59 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -54.47 164.33 3.05 Favored 'Trans proline' 0 C--N 1.388 2.649 0 C-N-CA 121.485 1.457 . . . . 0.0 110.936 173.819 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -81.04 126.4 31.38 Favored 'General case' 0 C--N 1.386 2.178 0 N-CA-C 104.157 -2.534 . . . . 0.0 104.157 177.338 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.2 m -113.72 141.11 47.66 Favored 'General case' 0 C--N 1.393 2.482 0 CA-C-O 122.812 1.292 . . . . 0.0 112.355 -165.045 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 19.4 t -112.9 168.57 9.58 Favored 'General case' 0 C--N 1.383 2.055 0 C-N-CA 124.61 1.164 . . . . 0.0 111.175 178.184 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -133.68 44.55 2.76 Favored 'General case' 0 C--N 1.384 2.078 0 CA-C-O 121.26 0.552 . . . . 0.0 110.775 178.46 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.4 t -142.5 172.57 12.51 Favored 'General case' 0 C--N 1.384 2.094 0 CA-C-O 121.047 0.451 . . . . 0.0 110.681 177.574 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.535 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 26.2 t70 -68.16 103.1 1.47 Allowed 'General case' 0 CA--C 1.587 2.402 0 N-CA-C 105.001 -2.222 . . . . 0.0 105.001 -177.342 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.535 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.276 7.5 mptt 72.54 -63.99 0.41 Allowed 'General case' 0 C--N 1.397 2.652 0 C-N-CA 127.933 2.493 . . . . 0.0 111.99 -179.894 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 31.5 p 53.91 57.67 5.79 Favored 'General case' 0 C--N 1.383 2.062 0 C-N-CA 127.508 2.323 . . . . 0.0 105.658 -173.406 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.0 m120 66.42 91.69 0.08 Allowed 'General case' 0 C--N 1.394 2.52 0 C-N-CA 125.649 1.58 . . . . 0.0 107.01 178.256 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 24.1 tp . . . . . 0 C--N 1.39 2.326 0 CA-C-O 115.453 -2.213 . . . . 0.0 105.626 175.413 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.3 tpp85 . . . . . 1 N--CA 1.541 4.104 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.0 mp -91.04 118.41 36.24 Favored 'Isoleucine or valine' 0 C--N 1.394 2.511 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 -178.187 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -140.49 149.04 42.0 Favored 'General case' 0 C--N 1.389 2.287 0 CA-C-O 122.879 1.323 . . . . 0.0 109.354 174.277 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -68.42 157.79 35.06 Favored 'General case' 0 C--N 1.383 2.048 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -170.261 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -135.16 36.25 3.02 Favored 'General case' 0 C--N 1.39 2.35 0 C-N-CA 119.434 -0.906 . . . . 0.0 108.837 170.25 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.232 22.4 m170 -77.27 -174.15 3.13 Favored 'General case' 0 C--N 1.393 2.486 0 N-CA-C 117.519 2.414 . . . . 0.0 117.519 -163.689 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.8 mt 68.43 -170.34 0.18 Allowed 'General case' 0 C--N 1.387 2.203 0 N-CA-C 114.928 1.455 . . . . 0.0 114.928 172.785 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.74 -52.38 4.2 Favored Glycine 0 C--N 1.387 3.384 0 CA-C-N 114.856 -1.066 . . . . 0.0 111.374 -176.526 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.5 m -160.95 -38.05 0.05 OUTLIER 'General case' 0 C--N 1.377 1.775 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 -175.374 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -117.77 116.18 36.62 Favored Pre-proline 0 CA--C 1.585 2.296 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 -179.245 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_exo -86.23 -11.26 6.36 Favored 'Trans proline' 0 C--N 1.406 3.556 0 N-CA-C 120.645 3.286 . . . . 0.0 120.645 178.739 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -85.74 -16.21 4.62 Favored 'Trans proline' 0 C--N 1.399 3.189 1 N-CA-C 126.052 5.366 . . . . 0.0 126.052 -174.025 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.4 p -94.54 155.57 16.85 Favored 'General case' 0 C--N 1.394 2.504 0 CA-C-N 125.321 3.691 . . . . 0.0 116.455 -173.355 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 73.7 p -132.16 150.73 52.08 Favored 'General case' 0 C--N 1.378 1.818 0 CA-C-N 112.035 -2.348 . . . . 0.0 108.963 178.754 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -98.81 102.54 14.31 Favored 'General case' 0 C--N 1.376 1.741 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 -174.764 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.5 m -73.01 103.51 3.81 Favored 'General case' 0 C--N 1.395 2.581 0 N-CA-C 100.982 -3.71 . . . . 0.0 100.982 169.037 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.1 t -121.33 150.66 41.11 Favored 'General case' 0 C--N 1.388 2.278 0 CA-C-O 124.194 1.95 . . . . 0.0 113.096 -166.721 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -82.34 -17.71 44.72 Favored 'General case' 0 C--N 1.376 1.741 0 CA-C-N 111.893 -2.412 . . . . 0.0 111.291 -179.514 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -71.3 133.89 46.38 Favored 'General case' 0 C--N 1.395 2.574 0 CA-C-N 121.229 1.831 . . . . 0.0 107.429 175.481 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.122 93.8 m-20 -56.14 -35.0 66.63 Favored 'General case' 0 C--N 1.383 2.031 0 C-N-CA 130.946 3.698 . . . . 0.0 114.644 -175.166 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.3 t -131.54 163.99 26.8 Favored 'General case' 0 C--N 1.379 1.863 0 C-N-CA 125.932 1.693 . . . . 0.0 110.509 -174.57 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.6 p -147.81 150.44 34.2 Favored 'General case' 0 C--N 1.395 2.58 0 CA-C-O 123.824 1.773 . . . . 0.0 115.687 -178.594 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -112.29 157.18 21.26 Favored 'General case' 0 C--N 1.388 2.279 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 -164.922 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.578 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 59.7 mmtt -105.66 112.93 26.2 Favored 'General case' 0 C--N 1.384 2.098 0 C-N-CA 126.639 1.976 . . . . 0.0 107.569 178.692 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.554 ' H ' ' HB3' ' A' ' 35' ' ' ARG . 14.0 t-20 -115.81 118.81 34.06 Favored 'General case' 0 CA--C 1.583 2.244 0 N-CA-C 102.733 -3.062 . . . . 0.0 102.733 176.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.23 1.28 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.398 2.694 0 N-CA-C 117.179 2.289 . . . . 0.0 117.179 -156.131 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.506 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -104.69 -99.47 0.32 Allowed 'General case' 0 CA--C 1.58 2.12 1 C-N-CA 133.766 4.827 . . . . 0.0 106.62 -175.428 . . . . . . . . 4 4 . 1 . 024 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.283 1.1 t 70.61 -179.48 0.23 Allowed 'General case' 0 C--N 1.39 2.335 0 C-N-CA 125.583 1.553 . . . . 0.0 112.116 -179.453 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -72.1 -62.76 1.31 Allowed 'General case' 0 C--N 1.388 2.273 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 174.479 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -64.7 110.69 2.46 Favored 'General case' 0 C--N 1.38 1.925 0 N-CA-C 102.728 -3.064 . . . . 0.0 102.728 170.649 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -68.74 102.47 1.53 Allowed 'General case' 0 C--N 1.396 2.628 0 N-CA-C 105.773 -1.936 . . . . 0.0 105.773 -168.949 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 tp -171.87 159.87 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.4 2.794 0 C-N-CA 116.078 -2.249 . . . . 0.0 112.95 -162.618 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.1 mt -97.67 118.33 43.97 Favored 'Isoleucine or valine' 0 C--N 1.39 2.339 0 N-CA-C 106.303 -1.739 . . . . 0.0 106.303 176.115 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.626 HH11 ' HG2' ' A' ' 34' ' ' ARG . 0.6 OUTLIER -159.64 84.94 0.76 Allowed 'General case' 0 C--N 1.384 2.08 0 N-CA-C 103.068 -2.938 . . . . 0.0 103.068 -172.971 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.554 ' HB3' ' H ' ' A' ' 25' ' ' ASN 0.25 0.0 OUTLIER -114.09 -165.71 1.03 Allowed 'General case' 0 C--N 1.374 1.642 0 CA-C-N 111.521 -2.581 . . . . 0.0 113.528 -166.406 . . . . . . . . 4 4 . 1 . 024 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -179.52 -177.36 47.76 Favored Glycine 0 C--N 1.39 3.576 0 C-N-CA 114.255 -3.831 . . . . 0.0 117.875 -178.94 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.1 p -73.16 126.51 30.21 Favored 'General case' 0 C--N 1.388 2.244 0 CA-C-O 122.874 1.321 . . . . 0.0 110.04 178.602 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.82 -82.2 0.05 OUTLIER Glycine 0 C--N 1.393 3.714 0 N-CA-C 105.867 -2.893 . . . . 0.0 105.867 173.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.286 53.9 t 89.08 -81.41 0.01 OUTLIER 'General case' 0 C--N 1.391 2.382 0 CA-C-O 123.408 1.575 . . . . 0.0 109.119 179.82 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -84.98 80.72 9.19 Favored 'General case' 0 CA--C 1.571 1.759 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 -172.313 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.2 t -86.03 135.69 37.05 Favored Pre-proline 0 C--N 1.396 2.626 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.743 -176.356 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -78.45 -172.57 1.54 Allowed 'Trans proline' 0 C--N 1.402 3.345 0 N-CA-C 115.671 1.374 . . . . 0.0 115.671 179.001 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.57 125.4 25.65 Favored 'General case' 0 C--N 1.388 2.261 0 CA-C-N 113.896 -1.502 . . . . 0.0 108.105 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -124.08 172.34 16.55 Favored Glycine 0 C--N 1.389 3.494 0 O-C-N 121.257 -0.902 . . . . 0.0 113.129 176.407 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -112.64 30.53 7.05 Favored 'General case' 0 C--N 1.381 1.942 0 CA-C-O 123.315 1.531 . . . . 0.0 110.082 176.3 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.0 ptp -157.69 146.44 14.53 Favored Pre-proline 0 CA--C 1.582 2.205 0 C-N-CA 127.808 2.443 . . . . 0.0 104.977 173.252 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -53.54 158.6 7.63 Favored 'Trans proline' 0 C--N 1.386 2.528 0 C-N-CA 121.806 1.67 . . . . 0.0 115.889 -178.597 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -102.15 164.72 17.01 Favored Glycine 0 C--N 1.389 3.484 0 CA-C-N 113.851 -1.522 . . . . 0.0 112.899 177.819 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -82.07 171.2 13.02 Favored 'Trans proline' 0 C--N 1.384 2.425 0 C-N-CA 123.87 3.046 . . . . 0.0 110.941 176.211 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -101.41 155.81 17.83 Favored 'General case' 0 C--N 1.386 2.17 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.19 179.454 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 43.4 t -115.88 149.7 38.24 Favored 'General case' 0 C--N 1.394 2.518 0 N-CA-C 118.029 2.603 . . . . 0.0 118.029 -161.781 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.1 t -128.32 152.4 48.19 Favored 'General case' 0 C--N 1.384 2.088 0 C-N-CA 127.806 2.443 . . . . 0.0 107.7 168.613 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.6 68.31 1.24 Allowed 'General case' 0 C--N 1.376 1.736 0 N-CA-C 104.617 -2.364 . . . . 0.0 104.617 176.354 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.3 t -162.17 162.99 28.64 Favored 'General case' 0 C--N 1.38 1.907 0 C-N-CA 117.283 -1.767 . . . . 0.0 110.641 -176.486 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.51 ' OD1' ' NZ ' ' A' ' 56' ' ' LYS . 24.6 t0 -64.0 127.15 30.16 Favored 'General case' 0 CA--C 1.582 2.199 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 175.284 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.51 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 39.2 mmtm 78.71 -89.19 0.02 OUTLIER 'General case' 0 C--N 1.394 2.524 0 C-N-CA 125.211 1.404 . . . . 0.0 112.363 172.038 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.29 21.4 m 84.14 33.78 0.05 OUTLIER 'General case' 0 CA--C 1.597 2.757 0 C-N-CA 126.956 2.102 . . . . 0.0 112.34 -177.552 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.407 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 60.8 m-20 65.45 70.69 0.45 Allowed 'General case' 0 C--N 1.393 2.499 0 C-N-CA 125.71 1.604 . . . . 0.0 109.805 172.619 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.578 ' C ' ' NZ ' ' A' ' 24' ' ' LYS 0.256 0.9 OUTLIER . . . . . 0 CA--C 1.589 2.446 0 C-N-CA 126.844 2.057 . . . . 0.0 106.133 -179.244 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.458 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.534 3.759 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 . . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 69.2 mt -93.23 118.17 38.36 Favored 'Isoleucine or valine' 0 C--N 1.389 2.326 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 177.343 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.6 m -136.06 160.13 39.59 Favored 'General case' 0 C--N 1.381 1.959 0 CA-C-N 115.118 -0.947 . . . . 0.0 108.692 174.07 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -98.05 136.65 37.99 Favored 'General case' 0 C--N 1.389 2.3 0 C-N-CA 118.342 -1.343 . . . . 0.0 110.738 -169.499 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -123.3 51.92 1.43 Allowed 'General case' 0 C--N 1.391 2.377 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 173.756 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.145 3.6 m170 -86.69 -166.56 1.6 Allowed 'General case' 0 C--N 1.381 1.958 0 C-N-CA 126.968 2.107 . . . . 0.0 110.588 173.85 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.479 ' H ' ' HA ' ' A' ' 11' ' ' PRO 0.349 5.1 mp 75.43 -175.69 0.13 Allowed 'General case' 0 C--N 1.381 1.94 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 169.835 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.93 -41.65 2.5 Favored Glycine 0 C--N 1.387 3.401 0 N-CA-C 108.869 -1.692 . . . . 0.0 108.869 -162.946 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.2 m -175.98 -41.85 0.01 OUTLIER 'General case' 0 C--N 1.386 2.16 0 C-N-CA 125.844 1.658 . . . . 0.0 106.88 -175.858 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -111.36 109.75 56.21 Favored Pre-proline 0 CA--C 1.593 2.611 0 CA-C-O 117.632 -1.175 . . . . 0.0 109.609 -174.186 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.479 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 18.3 Cg_endo -83.71 7.23 5.32 Favored 'Trans proline' 0 CA--C 1.604 3.981 0 N-CA-C 121.937 3.783 . . . . 0.0 121.937 179.388 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -85.85 -24.5 1.77 Allowed 'Trans proline' 0 C--N 1.404 3.454 1 N-CA-C 125.627 5.203 . . . . 0.0 125.627 -175.36 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.9 p -78.58 141.99 37.66 Favored 'General case' 0 C--N 1.397 2.648 0 CA-C-N 125.001 3.546 . . . . 0.0 113.186 -175.573 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 73.0 p -124.76 147.34 48.72 Favored 'General case' 0 C--N 1.378 1.814 0 CA-C-N 112.237 -2.256 . . . . 0.0 109.172 -177.229 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -118.76 99.61 6.88 Favored 'General case' 0 C--N 1.379 1.869 0 CA-C-N 113.74 -1.573 . . . . 0.0 107.653 -163.13 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 96.8 m -87.56 94.45 9.72 Favored 'General case' 0 C--N 1.387 2.239 0 N-CA-C 103.084 -2.932 . . . . 0.0 103.084 179.199 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.5 t -118.13 152.25 35.99 Favored 'General case' 0 C--N 1.39 2.362 0 CA-C-O 123.332 1.539 . . . . 0.0 113.429 -167.841 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -87.32 -20.57 26.6 Favored 'General case' 0 C--N 1.381 1.938 0 CA-C-N 112.259 -2.246 . . . . 0.0 112.819 -176.112 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -65.12 135.8 55.94 Favored 'General case' 0 C--N 1.397 2.652 0 N-CA-C 105.315 -2.105 . . . . 0.0 105.315 167.841 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.117 39.1 m-20 -80.01 5.2 14.7 Favored 'General case' 0 C--N 1.386 2.164 0 C-N-CA 127.043 2.137 . . . . 0.0 115.64 -173.452 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.0 t -143.76 130.42 20.2 Favored 'General case' 0 C--N 1.378 1.842 0 N-CA-C 104.244 -2.502 . . . . 0.0 104.244 -177.438 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -125.99 144.02 50.87 Favored 'General case' 0 C--N 1.378 1.806 0 CA-C-O 123.999 1.857 . . . . 0.0 108.317 174.219 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -116.58 165.96 12.65 Favored 'General case' 0 C--N 1.369 1.448 0 CA-C-N 113.298 -1.774 . . . . 0.0 113.145 -168.085 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.413 ' NZ ' ' O ' ' A' ' 58' ' ' ASN . 2.1 tppt? -100.79 115.43 30.3 Favored 'General case' 0 CA--C 1.581 2.157 0 N-CA-C 103.719 -2.697 . . . . 0.0 103.719 178.149 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.489 ' ND2' ' HE1' ' A' ' 27' ' ' TRP . 8.8 t-20 -115.9 119.35 35.68 Favored 'General case' 0 C--N 1.382 1.996 0 N-CA-C 101.805 -3.406 . . . . 0.0 101.805 179.609 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.58 -24.3 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.396 2.617 0 N-CA-C 115.938 1.829 . . . . 0.0 115.938 -151.544 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.553 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -73.14 -110.78 0.01 OUTLIER 'General case' 0 CA--C 1.592 2.587 1 C-N-CA 133.027 4.531 . . . . 0.0 106.818 172.505 . . . . . . . . 4 4 . 1 . 025 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.5 t 75.19 151.59 0.12 Allowed 'General case' 0 C--N 1.397 2.635 0 C-N-CA 125.138 1.375 . . . . 0.0 109.541 -175.891 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -62.19 -54.72 36.95 Favored 'General case' 0 C--N 1.392 2.448 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 178.733 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -67.37 100.73 0.86 Allowed 'General case' 0 C--N 1.382 1.994 0 N-CA-C 102.648 -3.093 . . . . 0.0 102.648 168.381 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -63.15 115.86 4.87 Favored 'General case' 0 C--N 1.402 2.857 0 N-CA-C 106.055 -1.831 . . . . 0.0 106.055 -171.283 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 tp -168.2 155.93 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.394 2.51 0 CA-C-O 121.921 0.867 . . . . 0.0 110.086 -169.217 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 55.8 mt -95.67 111.92 26.99 Favored 'Isoleucine or valine' 0 C--N 1.388 2.265 0 N-CA-C 104.02 -2.585 . . . . 0.0 104.02 170.544 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.42 HH11 ' HG2' ' A' ' 34' ' ' ARG . 12.3 ttp85 -148.12 104.92 3.59 Favored 'General case' 0 C--N 1.381 1.95 0 N-CA-C 100.668 -3.827 . . . . 0.0 100.668 -177.824 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.35 -178.79 5.91 Favored 'General case' 0 C--N 1.387 2.216 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -157.949 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 174.21 -172.78 45.62 Favored Glycine 0 C--N 1.396 3.913 1 C-N-CA 112.462 -4.685 . . . . 0.0 119.177 -171.842 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.5 p -75.75 113.73 13.55 Favored 'General case' 0 C--N 1.385 2.118 0 CA-C-O 123.791 1.758 . . . . 0.0 109.648 -176.855 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.13 -113.53 0.28 Allowed Glycine 0 C--N 1.389 3.527 0 N-CA-C 104.358 -3.497 . . . . 0.0 104.358 172.205 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.45 3.2 p 66.43 -154.2 0.24 Allowed 'General case' 0 C--N 1.39 2.354 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 173.507 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 68.14 49.48 0.85 Allowed 'General case' 0 C--N 1.388 2.247 0 CA-C-N 113.544 -1.662 . . . . 0.0 106.841 -175.952 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.6 t -125.92 141.73 40.29 Favored Pre-proline 0 C--N 1.395 2.55 0 C-N-CA 124.887 1.275 . . . . 0.0 109.925 -177.901 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -94.02 179.25 0.92 Allowed 'Trans proline' 0 C--N 1.396 3.049 0 C-N-CA 122.153 1.902 . . . . 0.0 110.03 174.717 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.1 82.46 4.18 Favored 'General case' 0 C--N 1.391 2.405 0 N-CA-C 103.817 -2.66 . . . . 0.0 103.817 178.455 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -103.82 26.0 24.71 Favored Glycine 0 C--N 1.389 3.516 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 171.964 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.381 57.1 m-20 72.93 27.1 2.16 Favored 'General case' 0 C--N 1.382 2.0 0 C-N-CA 127.828 2.451 . . . . 0.0 111.887 -176.31 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 48.1 ttm -92.56 135.06 26.94 Favored Pre-proline 0 C--N 1.386 2.153 0 N-CA-C 106.182 -1.784 . . . . 0.0 106.182 168.909 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -82.2 79.31 3.14 Favored 'Trans proline' 0 C--N 1.4 3.25 0 N-CA-C 106.237 -2.255 . . . . 0.0 106.237 178.395 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -91.06 152.44 21.68 Favored Glycine 0 C--N 1.383 3.189 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 177.383 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_exo -54.93 167.46 1.59 Allowed 'Trans proline' 0 C--N 1.382 2.337 0 C-N-CA 122.371 2.047 . . . . 0.0 113.335 169.669 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -83.91 121.14 26.95 Favored 'General case' 0 CA--C 1.578 2.021 0 N-CA-C 102.638 -3.097 . . . . 0.0 102.638 177.125 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.6 m -109.57 134.61 51.72 Favored 'General case' 0 C--N 1.397 2.67 0 O-C-N 120.446 -1.409 . . . . 0.0 110.899 -166.276 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.9 t -126.06 158.57 35.08 Favored 'General case' 0 C--N 1.39 2.362 0 C-N-CA 123.814 0.846 . . . . 0.0 112.88 -172.92 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.18 40.5 3.66 Favored 'General case' 0 C--N 1.38 1.919 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -175.381 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 64.9 m -132.42 160.54 36.08 Favored 'General case' 0 C--N 1.383 2.031 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -173.506 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.501 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 19.8 t0 -70.18 132.66 46.12 Favored 'General case' 0 C--N 1.398 2.699 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 174.506 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.501 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.263 36.6 mmtm 73.91 -67.65 0.25 Allowed 'General case' 0 C--N 1.391 2.372 0 C-N-CA 126.432 1.893 . . . . 0.0 106.853 -177.563 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.284 48.6 t 79.61 58.36 0.02 OUTLIER 'General case' 0 C--N 1.376 1.738 0 C-N-CA 126.874 2.07 . . . . 0.0 107.392 178.943 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.413 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 7.1 m120 65.65 66.25 0.52 Allowed 'General case' 0 C--N 1.392 2.431 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 162.649 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER . . . . . 0 CA--C 1.588 2.416 0 N-CA-C 103.717 -2.697 . . . . 0.0 103.717 -175.485 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.465 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 40.0 mtt85 . . . . . 0 N--CA 1.536 3.846 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -94.78 120.9 44.85 Favored 'Isoleucine or valine' 0 C--N 1.39 2.349 0 CA-C-O 122.451 1.12 . . . . 0.0 109.155 -172.396 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.7 m -141.31 143.36 34.01 Favored 'General case' 0 CA--C 1.595 2.702 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 176.156 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -93.12 150.22 20.67 Favored 'General case' 0 C--N 1.404 2.954 0 N-CA-C 116.351 1.982 . . . . 0.0 116.351 -160.331 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -118.55 20.87 12.84 Favored 'General case' 0 C--N 1.392 2.434 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 177.071 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.151 7.5 m170 -77.4 -153.83 0.06 Allowed 'General case' 0 C--N 1.382 1.995 0 C-N-CA 126.377 1.871 . . . . 0.0 110.721 -178.25 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.512 ' H ' ' HA ' ' A' ' 11' ' ' PRO 0.328 2.7 mp 67.81 -166.15 0.2 Allowed 'General case' 0 C--N 1.379 1.887 0 CA-C-O 122.091 0.948 . . . . 0.0 111.122 172.809 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.575 ' H ' HG12 ' A' ' 32' ' ' ILE . . . 89.37 -59.81 3.74 Favored Glycine 0 C--N 1.381 3.047 0 N-CA-C 105.549 -3.021 . . . . 0.0 105.549 -166.096 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 92.4 m -155.02 -38.03 0.09 Allowed 'General case' 0 C--N 1.381 1.965 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 170.652 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -100.68 110.19 59.82 Favored Pre-proline 0 CA--C 1.588 2.405 0 C-N-CA 124.425 1.09 . . . . 0.0 109.367 -172.626 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.512 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 61.2 Cg_endo -84.83 7.74 5.01 Favored 'Trans proline' 0 CA--C 1.595 3.552 0 N-CA-C 118.785 2.571 . . . . 0.0 118.785 179.726 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -78.74 -25.1 6.69 Favored 'Trans proline' 0 C--N 1.403 3.433 1 N-CA-C 124.681 4.839 . . . . 0.0 124.681 -175.409 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.7 p -97.0 139.03 33.63 Favored 'General case' 0 C--N 1.394 2.514 0 CA-C-N 124.893 3.497 . . . . 0.0 113.032 -175.424 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 72.4 p -125.33 146.33 49.62 Favored 'General case' 0 C--N 1.38 1.912 0 CA-C-N 113.612 -1.631 . . . . 0.0 109.837 -179.051 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -87.91 98.89 11.74 Favored 'General case' 0 C--N 1.386 2.177 0 N-CA-C 105.449 -2.056 . . . . 0.0 105.449 -176.689 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.6 m -78.6 101.95 7.7 Favored 'General case' 0 C--N 1.392 2.425 0 N-CA-C 101.657 -3.46 . . . . 0.0 101.657 172.739 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 12.2 t -127.02 150.02 49.63 Favored 'General case' 0 C--N 1.392 2.421 0 CA-C-O 123.887 1.803 . . . . 0.0 114.505 -166.056 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -89.34 -15.12 34.13 Favored 'General case' 0 C--N 1.38 1.928 0 CA-C-N 111.898 -2.41 . . . . 0.0 111.99 -179.547 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -70.31 114.78 8.78 Favored 'General case' 0 C--N 1.393 2.457 0 N-CA-C 103.757 -2.682 . . . . 0.0 103.757 175.034 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.465 ' OD2' ' N ' ' A' ' 1' ' ' ARG 2.188 50.0 m-20 -58.83 -6.37 0.76 Allowed 'General case' 0 C--N 1.386 2.176 0 C-N-CA 129.366 3.066 . . . . 0.0 116.251 -174.26 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.6 t -135.37 145.25 47.17 Favored 'General case' 0 C--N 1.378 1.807 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 176.295 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.5 p -132.04 160.03 37.09 Favored 'General case' 0 C--N 1.382 2.018 0 CA-C-O 122.282 1.039 . . . . 0.0 111.755 176.633 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.435 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 25.4 p90 -124.89 140.4 52.96 Favored 'General case' 0 C--N 1.376 1.736 0 CA-C-N 114.183 -1.371 . . . . 0.0 112.01 -167.694 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.515 ' NZ ' ' O ' ' A' ' 58' ' ' ASN . 8.1 mtmt -103.13 112.63 25.58 Favored 'General case' 0 C--N 1.388 2.246 0 N-CA-C 104.6 -2.37 . . . . 0.0 104.6 -177.639 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.447 ' H ' ' HB3' ' A' ' 35' ' ' ARG . 7.0 t30 -114.31 114.69 26.27 Favored 'General case' 0 CA--C 1.576 1.96 0 N-CA-C 102.899 -3.0 . . . . 0.0 102.899 -175.881 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -122.32 -2.84 7.67 Favored 'Isoleucine or valine' 0 C--N 1.393 2.463 0 N-CA-C 116.01 1.856 . . . . 0.0 116.01 -154.685 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.509 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -100.88 -94.59 0.28 Allowed 'General case' 0 CA--C 1.578 2.033 1 C-N-CA 133.812 4.845 . . . . 0.0 104.13 -176.461 . . . . . . . . 4 4 . 1 . 026 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.255 14.5 t 74.72 -17.61 0.47 Allowed 'General case' 0 C--N 1.39 2.337 0 C-N-CA 125.818 1.647 . . . . 0.0 112.127 178.006 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . 0.318 97.6 m-85 88.88 -37.32 0.02 OUTLIER 'General case' 0 C--N 1.39 2.345 0 C-N-CA 127.941 2.496 . . . . 0.0 110.846 -178.234 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -73.47 -7.1 50.35 Favored 'General case' 0 CA--C 1.58 2.13 0 CA-C-N 119.491 1.041 . . . . 0.0 110.993 172.443 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.8 t30 75.13 78.32 0.11 Allowed 'General case' 0 C--N 1.394 2.537 0 C-N-CA 127.747 2.419 . . . . 0.0 106.32 177.791 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.575 HG12 ' H ' ' A' ' 8' ' ' GLY . 6.8 tp -164.49 159.35 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.395 2.551 0 C-N-CA 117.658 -1.617 . . . . 0.0 114.037 -177.257 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 83.6 mt -94.13 90.63 2.87 Favored 'Isoleucine or valine' 0 C--N 1.387 2.206 0 N-CA-C 103.802 -2.666 . . . . 0.0 103.802 170.416 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.1 103.14 6.11 Favored 'General case' 0 C--N 1.387 2.219 0 N-CA-C 101.423 -3.547 . . . . 0.0 101.423 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.447 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -141.61 -167.34 2.4 Favored 'General case' 0 C--N 1.387 2.204 0 CA-C-N 114.225 -1.352 . . . . 0.0 114.483 -160.353 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -175.32 -167.13 34.03 Favored Glycine 0 C--N 1.389 3.494 0 C-N-CA 114.64 -3.648 . . . . 0.0 116.261 -174.466 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.5 p -102.07 127.92 48.76 Favored 'General case' 0 C--N 1.382 2.011 0 CA-C-O 122.795 1.283 . . . . 0.0 112.736 -175.054 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.05 -89.51 0.07 OUTLIER Glycine 0 C--N 1.394 3.796 0 N-CA-C 106.102 -2.799 . . . . 0.0 106.102 174.009 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.33 42.0 t 80.28 -44.61 0.26 Allowed 'General case' 0 C--N 1.388 2.254 0 C-N-CA 124.033 0.933 . . . . 0.0 111.402 179.877 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -89.19 61.18 5.66 Favored 'General case' 0 C--N 1.385 2.125 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -167.874 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.2 t -118.41 121.87 30.67 Favored Pre-proline 0 C--N 1.39 2.337 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -179.034 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -68.08 -178.15 1.61 Allowed 'Trans proline' 0 C--N 1.399 3.224 0 C-N-CA 121.053 1.168 . . . . 0.0 113.436 169.362 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.4 ttp85 80.24 115.08 0.06 Allowed 'General case' 0 C--N 1.391 2.4 0 C-N-CA 125.654 1.582 . . . . 0.0 107.989 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -116.02 47.24 1.06 Allowed Glycine 0 C--N 1.396 3.907 0 CA-C-O 118.081 -1.399 . . . . 0.0 113.65 -178.397 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 57.6 p30 -102.89 24.57 10.49 Favored 'General case' 0 C--N 1.383 2.042 0 CA-C-N 119.167 1.484 . . . . 0.0 113.493 178.899 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.8 ptp 148.21 139.65 0.0 OUTLIER Pre-proline 0 CA--C 1.579 2.072 0 C-N-CA 131.568 3.947 . . . . 0.0 104.22 -173.192 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -70.46 167.66 24.72 Favored 'Trans proline' 0 C--N 1.393 2.872 0 N-CA-C 114.933 1.09 . . . . 0.0 114.933 -176.122 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -98.24 82.62 0.64 Allowed Glycine 0 C--N 1.385 3.27 0 N-CA-C 103.761 -3.735 . . . . 0.0 103.761 177.353 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.435 ' HB2' ' HB2' ' A' ' 23' ' ' TYR 0.33 2.6 Cg_exo 43.75 -159.27 0.0 OUTLIER 'Trans proline' 1 C--N 1.443 5.524 0 O-C-N 123.973 1.512 . . . . 0.0 110.825 -165.93 . . . . . . . . 4 3 . 1 . 026 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -125.25 140.09 53.15 Favored 'General case' 0 CA--C 1.569 1.692 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 175.481 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.2 m -118.78 159.53 23.53 Favored 'General case' 0 C--N 1.395 2.555 0 N-CA-C 117.988 2.588 . . . . 0.0 117.988 -159.356 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.7 t -136.71 159.24 42.42 Favored 'General case' 0 C--N 1.38 1.912 0 CA-C-N 112.491 -2.141 . . . . 0.0 111.042 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -122.88 59.86 1.05 Allowed 'General case' 0 C--N 1.382 2.017 0 N-CA-C 105.704 -1.961 . . . . 0.0 105.704 171.813 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.6 m -162.11 170.08 19.78 Favored 'General case' 0 C--N 1.39 2.338 0 CA-C-O 122.016 0.912 . . . . 0.0 112.396 -175.459 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.488 ' OD1' ' NZ ' ' A' ' 56' ' ' LYS . 24.5 t0 -80.02 126.94 31.69 Favored 'General case' 0 C--N 1.385 2.122 0 CA-C-N 114.477 -1.238 . . . . 0.0 108.199 -177.544 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.488 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 35.8 mmtm 76.66 -67.98 0.2 Allowed 'General case' 0 C--N 1.391 2.411 0 C-N-CA 125.852 1.661 . . . . 0.0 109.809 176.007 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 80.9 m 73.67 54.67 0.11 Allowed 'General case' 0 C--N 1.383 2.048 0 C-N-CA 126.056 1.742 . . . . 0.0 109.123 179.102 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.515 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 23.9 t-20 63.68 71.14 0.5 Allowed 'General case' 0 C--N 1.389 2.293 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 175.731 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.0 tp . . . . . 0 CA--C 1.584 2.262 0 N-CA-C 104.761 -2.311 . . . . 0.0 104.761 -177.669 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.412 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.2 OUTLIER . . . . . 1 N--CA 1.546 4.348 0 N-CA-C 111.478 0.177 . . . . 0.0 111.478 . . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.1 mt -75.19 127.54 36.8 Favored 'Isoleucine or valine' 0 C--N 1.403 2.904 0 CA-C-O 122.536 1.16 . . . . 0.0 109.101 -174.026 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.3 m -136.66 174.16 10.92 Favored 'General case' 0 C--N 1.387 2.214 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.823 169.127 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -106.22 159.08 16.38 Favored 'General case' 0 C--N 1.38 1.895 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -175.881 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -153.89 57.53 0.73 Allowed 'General case' 0 C--N 1.387 2.227 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 176.188 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.211 20.9 m170 -98.31 -168.14 1.61 Allowed 'General case' 0 C--N 1.388 2.259 0 C-N-CA 125.849 1.66 . . . . 0.0 114.317 -179.362 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.9 mt 64.7 -172.42 0.18 Allowed 'General case' 0 C--N 1.383 2.063 0 C-N-CA 125.078 1.351 . . . . 0.0 114.579 176.888 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 64.9 46.29 89.89 Favored Glycine 0 C--N 1.386 3.354 0 CA-C-O 116.897 -2.057 . . . . 0.0 111.629 -179.682 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 45.9 m 109.75 -37.7 0.01 OUTLIER 'General case' 0 C--N 1.394 2.527 0 C-N-CA 129.963 3.305 . . . . 0.0 110.896 176.634 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.37 128.27 24.06 Favored Pre-proline 0 CA--C 1.588 2.432 0 C-N-CA 124.936 1.294 . . . . 0.0 109.897 -174.379 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -99.08 -3.63 0.79 Allowed 'Trans proline' 0 C--N 1.413 3.944 0 N-CA-C 122.021 3.816 . . . . 0.0 122.021 176.769 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -80.25 -14.92 11.71 Favored 'Trans proline' 0 C--N 1.396 3.071 1 N-CA-C 125.634 5.205 . . . . 0.0 125.634 -172.491 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.1 p -90.68 126.19 35.9 Favored 'General case' 0 C--N 1.386 2.158 0 CA-C-N 123.698 2.954 . . . . 0.0 114.668 -173.694 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 65.8 p -134.19 144.34 48.42 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 131.31 3.844 . . . . 0.0 104.53 171.008 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -158.69 135.89 9.91 Favored 'General case' 0 C--N 1.387 2.226 0 C-N-CA 115.28 -2.568 . . . . 0.0 114.307 -168.953 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.7 m -67.27 112.46 4.54 Favored 'General case' 0 C--N 1.395 2.551 0 N-CA-C 104.102 -2.555 . . . . 0.0 104.102 172.408 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 t -115.57 143.24 45.62 Favored 'General case' 0 C--N 1.392 2.422 0 CA-C-O 123.022 1.392 . . . . 0.0 109.762 -172.557 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -80.72 -28.3 36.65 Favored 'General case' 0 C--N 1.386 2.19 0 CA-C-N 114.379 -1.282 . . . . 0.0 112.725 -173.972 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -58.57 136.78 57.68 Favored 'General case' 0 C--N 1.394 2.527 0 CA-C-N 121.1 1.773 . . . . 0.0 106.957 175.927 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.18 65.5 m-20 -72.7 8.41 1.49 Allowed 'General case' 0 C--N 1.385 2.151 0 C-N-CA 129.015 2.926 . . . . 0.0 115.362 -176.834 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.3 m -161.7 151.24 16.39 Favored 'General case' 0 C--N 1.376 1.738 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 -178.316 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.4 p -149.21 153.1 37.12 Favored 'General case' 0 C--N 1.385 2.11 0 C-N-CA 117.192 -1.803 . . . . 0.0 112.894 -179.456 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -122.11 157.25 31.88 Favored 'General case' 0 C--N 1.38 1.902 0 CA-C-N 112.483 -2.144 . . . . 0.0 114.288 -162.511 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.552 ' HZ2' ' C ' ' A' ' 59' ' ' LEU . 56.3 mmtt -106.21 111.23 23.74 Favored 'General case' 0 C--N 1.38 1.903 0 N-CA-C 105.502 -2.036 . . . . 0.0 105.502 -171.956 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.49 ' HA ' ' HE1' ' A' ' 27' ' ' TRP . 0.2 OUTLIER -114.44 101.82 9.5 Favored 'General case' 0 C--N 1.379 1.848 1 N-CA-C 99.942 -4.096 . . . . 0.0 99.942 -175.772 . . . . . . . . 4 4 . 1 . 027 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.79 45.72 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.386 2.173 0 CA-C-O 123.698 1.713 . . . . 0.0 109.922 -165.269 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.49 ' HE1' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -173.22 -93.21 0.01 OUTLIER 'General case' 0 CA--C 1.585 2.29 0 CA-C-N 112.579 -2.101 . . . . 0.0 105.618 -164.399 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.3 12.1 t 83.26 -103.87 0.01 OUTLIER 'General case' 0 CA--C 1.592 2.564 0 N-CA-C 106.162 -1.792 . . . . 0.0 106.162 175.334 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -146.25 -24.31 0.44 Allowed 'General case' 0 C--N 1.387 2.238 0 O-C-N 121.076 -1.015 . . . . 0.0 108.424 173.761 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -87.34 -10.52 51.98 Favored 'General case' 0 C--N 1.382 2.011 0 C-N-CA 129.137 2.975 . . . . 0.0 113.227 177.335 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 74.29 64.39 0.08 Allowed 'General case' 0 C--N 1.391 2.375 0 N-CA-C 105.575 -2.009 . . . . 0.0 105.575 -179.846 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 tp -149.54 161.18 4.84 Favored 'Isoleucine or valine' 0 C--N 1.393 2.498 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -170.873 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -96.35 110.35 24.49 Favored 'Isoleucine or valine' 0 C--N 1.391 2.376 0 N-CA-C 104.75 -2.315 . . . . 0.0 104.75 175.058 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.51 90.01 0.92 Allowed 'General case' 0 C--N 1.389 2.288 0 N-CA-C 102.999 -2.963 . . . . 0.0 102.999 -175.407 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.408 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -122.31 -171.55 2.28 Favored 'General case' 0 C--N 1.376 1.758 0 CA-C-N 111.866 -2.424 . . . . 0.0 115.061 -159.983 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -174.5 -179.26 44.99 Favored Glycine 0 C--N 1.398 3.993 1 C-N-CA 112.824 -4.512 . . . . 0.0 120.099 -170.544 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.3 m -81.6 115.29 20.81 Favored 'General case' 0 C--N 1.386 2.18 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 -178.734 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -162.69 -97.51 0.12 Allowed Glycine 0 C--N 1.39 3.543 0 N-CA-C 105.113 -3.195 . . . . 0.0 105.113 178.573 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.359 9.7 t 84.27 -40.97 0.07 Allowed 'General case' 0 C--N 1.386 2.173 0 CA-C-O 121.586 0.708 . . . . 0.0 112.156 177.66 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -96.98 76.18 2.69 Favored 'General case' 0 CA--C 1.584 2.263 0 N-CA-C 105.648 -1.982 . . . . 0.0 105.648 -170.513 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.1 p -89.71 125.26 61.69 Favored Pre-proline 0 C--N 1.398 2.69 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 178.741 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -87.6 170.7 6.44 Favored 'Trans proline' 0 C--N 1.398 3.17 0 C-N-CA 120.975 1.116 . . . . 0.0 114.665 -174.661 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.46 87.41 7.39 Favored 'General case' 0 C--N 1.392 2.434 0 N-CA-C 105.559 -2.015 . . . . 0.0 105.559 -179.735 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -136.16 21.39 3.49 Favored Glycine 0 C--N 1.387 3.393 0 CA-C-N 114.511 -1.222 . . . . 0.0 110.973 172.204 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 65.83 40.21 4.34 Favored 'General case' 0 C--N 1.388 2.245 0 C-N-CA 125.895 1.678 . . . . 0.0 110.388 179.227 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 74.8 mtm -117.34 105.37 48.7 Favored Pre-proline 0 C--N 1.384 2.09 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 -175.858 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -64.78 123.34 11.51 Favored 'Trans proline' 0 C--N 1.397 3.087 0 N-CA-C 108.406 -1.421 . . . . 0.0 108.406 177.964 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -109.73 167.56 12.85 Favored Glycine 0 C--N 1.391 3.586 0 O-C-N 120.809 -1.182 . . . . 0.0 114.281 179.111 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -50.52 159.6 2.06 Favored 'Trans proline' 0 C--N 1.387 2.604 0 C-N-CA 122.936 2.424 . . . . 0.0 113.882 168.559 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.402 ' CE1' ' HG3' ' A' ' 24' ' ' LYS . 23.0 p90 -87.78 151.05 23.18 Favored 'General case' 0 C--N 1.382 1.981 0 CA-C-N 114.582 -1.19 . . . . 0.0 109.319 178.157 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.5 p -155.83 168.09 28.32 Favored 'General case' 0 C--N 1.403 2.917 0 N-CA-C 120.28 3.437 . . . . 0.0 120.28 -165.672 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 16.1 t -141.59 -174.89 4.18 Favored 'General case' 0 C--N 1.385 2.125 0 CA-C-N 112.075 -2.329 . . . . 0.0 113.29 -173.19 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -144.68 27.98 1.32 Allowed 'General case' 0 C--N 1.387 2.23 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -178.469 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.3 t -109.88 174.67 5.76 Favored 'General case' 0 C--N 1.378 1.84 0 C-N-CA 123.882 0.873 . . . . 0.0 112.382 -179.162 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.478 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 27.0 t70 -66.87 115.14 6.3 Favored 'General case' 0 C--N 1.391 2.409 0 N-CA-C 104.992 -2.225 . . . . 0.0 104.992 174.659 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.478 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 36.4 mmtm 72.14 -59.64 0.55 Allowed 'General case' 0 C--N 1.392 2.431 0 C-N-CA 127.176 2.19 . . . . 0.0 110.474 -178.523 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 23.8 t 70.18 50.35 0.43 Allowed 'General case' 0 C--N 1.382 1.98 0 C-N-CA 128.528 2.731 . . . . 0.0 107.125 -177.089 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 20.3 t30 62.47 87.25 0.1 Allowed 'General case' 0 C--N 1.389 2.292 0 C-N-CA 126.52 1.928 . . . . 0.0 106.243 -177.597 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.552 ' C ' ' HZ2' ' A' ' 24' ' ' LYS . 2.2 tt . . . . . 0 CA--C 1.589 2.46 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 176.154 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.2 tpp85 . . . . . 0 N--CA 1.539 3.976 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.471 HG12 ' HA ' ' A' ' 16' ' ' THR . 30.4 mt -97.34 121.32 47.74 Favored 'Isoleucine or valine' 0 C--N 1.394 2.519 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 -175.127 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.5 m -137.05 151.02 48.45 Favored 'General case' 0 C--N 1.388 2.275 0 CA-C-O 122.819 1.295 . . . . 0.0 108.611 171.749 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -67.35 152.95 44.8 Favored 'General case' 0 C--N 1.382 2.007 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.999 -171.775 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -130.26 32.92 4.4 Favored 'General case' 0 C--N 1.387 2.223 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 169.934 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.194 21.3 m170 -77.83 -178.0 5.2 Favored 'General case' 0 C--N 1.389 2.321 0 C-N-CA 127.196 2.199 . . . . 0.0 115.086 -170.934 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.52 ' H ' ' HA ' ' A' ' 11' ' ' PRO . 30.7 mt 72.11 -170.11 0.14 Allowed 'General case' 0 C--N 1.382 1.992 0 C-N-CA 126.069 1.747 . . . . 0.0 114.084 173.462 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.96 53.13 47.68 Favored Glycine 0 C--N 1.382 3.136 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 -179.039 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.1 m 107.21 -36.65 0.01 OUTLIER 'General case' 0 C--N 1.392 2.438 0 C-N-CA 130.482 3.513 . . . . 0.0 110.188 176.988 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.6 mmtt -130.93 107.43 15.23 Favored Pre-proline 0 C--N 1.385 2.13 0 CA-C-N 118.368 0.531 . . . . 0.0 109.648 -173.86 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.52 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 88.8 Cg_exo -82.11 2.56 8.45 Favored 'Trans proline' 0 CA--C 1.594 3.49 1 N-CA-C 124.205 4.656 . . . . 0.0 124.205 179.85 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -101.29 -23.58 0.05 OUTLIER 'Trans proline' 0 C--N 1.399 3.219 1 N-CA-C 123.321 4.316 . . . . 0.0 123.321 -172.46 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.3 p -78.93 156.38 28.59 Favored 'General case' 0 C--N 1.393 2.477 0 CA-C-N 123.167 2.712 . . . . 0.0 115.825 -172.624 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.3 p -138.02 149.59 46.2 Favored 'General case' 0 C--N 1.378 1.811 0 CA-C-N 112.271 -2.24 . . . . 0.0 108.821 -179.825 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -111.2 111.31 22.3 Favored 'General case' 0 C--N 1.384 2.106 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -171.875 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.471 ' HA ' HG12 ' A' ' 2' ' ' ILE . 98.6 m -81.95 98.98 8.83 Favored 'General case' 0 C--N 1.391 2.404 0 N-CA-C 102.867 -3.012 . . . . 0.0 102.867 172.21 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.3 t -118.55 159.88 22.77 Favored 'General case' 0 C--N 1.387 2.218 0 CA-C-O 123.682 1.706 . . . . 0.0 112.55 -171.503 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -80.08 1.57 27.36 Favored 'General case' 0 C--N 1.377 1.802 0 CA-C-N 112.653 -2.067 . . . . 0.0 112.249 -174.346 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -89.96 126.45 35.74 Favored 'General case' 0 C--N 1.388 2.275 0 CA-C-N 120.689 1.586 . . . . 0.0 107.781 -177.522 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.088 6.5 m-20 -53.03 -14.99 0.68 Allowed 'General case' 0 CA--C 1.587 2.372 0 C-N-CA 129.943 3.297 . . . . 0.0 113.955 179.596 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.0 p -156.06 163.93 39.06 Favored 'General case' 0 C--N 1.381 1.935 0 C-N-CA 125.253 1.421 . . . . 0.0 108.714 -177.702 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.9 p -140.06 172.2 13.1 Favored 'General case' 0 C--N 1.387 2.202 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 -177.843 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.431 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 20.9 p90 -128.69 152.08 48.8 Favored 'General case' 0 C--N 1.381 1.966 0 CA-C-O 124.697 2.189 . . . . 0.0 114.235 -171.909 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.551 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 47.8 mmtt -107.49 112.16 24.79 Favored 'General case' 0 C--N 1.38 1.896 0 CA-C-N 110.832 -2.895 . . . . 0.0 104.38 -179.18 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.543 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 2.3 t30 -114.13 121.38 43.61 Favored 'General case' 0 CA--C 1.579 2.069 0 N-CA-C 102.586 -3.116 . . . . 0.0 102.586 -178.412 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -128.08 -3.72 3.81 Favored 'Isoleucine or valine' 0 C--N 1.401 2.822 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 -151.194 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.543 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -100.12 -102.07 0.24 Allowed 'General case' 0 CA--C 1.582 2.176 1 C-N-CA 132.729 4.412 . . . . 0.0 106.18 -173.765 . . . . . . . . 4 4 . 1 . 028 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.314 14.9 t 88.14 -51.46 0.04 OUTLIER 'General case' 0 C--N 1.392 2.434 0 C-N-CA 126.881 2.072 . . . . 0.0 110.843 177.594 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 55.8 t80 126.82 -60.56 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.398 0 C-N-CA 127.939 2.495 . . . . 0.0 104.296 -179.349 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -53.95 112.14 0.89 Allowed 'General case' 0 C--N 1.396 2.604 0 N-CA-C 101.468 -3.53 . . . . 0.0 101.468 153.189 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -73.16 107.06 5.29 Favored 'General case' 0 C--N 1.4 2.798 0 N-CA-C 105.6 -2.0 . . . . 0.0 105.6 -169.643 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 tp -164.98 162.74 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.399 2.752 0 C-N-CA 118.01 -1.476 . . . . 0.0 113.402 -168.388 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 26.1 mm -99.9 100.67 10.88 Favored 'Isoleucine or valine' 0 C--N 1.388 2.26 0 N-CA-C 106.121 -1.807 . . . . 0.0 106.121 178.208 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.01 123.75 21.17 Favored 'General case' 0 C--N 1.383 2.048 0 N-CA-C 103.187 -2.894 . . . . 0.0 103.187 -179.681 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.519 ' HG2' HH11 ' A' ' 35' ' ' ARG . 3.8 ptt-85 -166.01 -168.13 1.2 Allowed 'General case' 0 C--N 1.391 2.379 0 C-N-CA 118.06 -1.456 . . . . 0.0 112.312 -151.54 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 175.19 -169.32 42.16 Favored Glycine 0 C--N 1.393 3.717 0 C-N-CA 113.987 -3.959 . . . . 0.0 117.557 -175.29 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.1 p -80.21 124.69 29.02 Favored 'General case' 0 C--N 1.385 2.12 0 CA-C-N 113.899 -1.15 . . . . 0.0 111.465 -175.943 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.58 -91.81 0.08 OUTLIER Glycine 0 C--N 1.398 3.99 0 C-N-CA 117.302 -2.38 . . . . 0.0 107.822 175.942 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.318 35.9 t 83.6 -59.28 0.13 Allowed 'General case' 0 C--N 1.384 2.1 0 CA-C-O 122.259 1.028 . . . . 0.0 109.089 -175.917 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.35 74.35 8.66 Favored 'General case' 0 C--N 1.383 2.047 0 N-CA-C 104.721 -2.325 . . . . 0.0 104.721 -172.678 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.9 t -90.57 142.75 28.28 Favored Pre-proline 0 C--N 1.388 2.258 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -61.43 172.99 2.94 Favored 'Trans proline' 0 C--N 1.396 3.051 0 C-N-CA 120.924 1.083 . . . . 0.0 114.18 173.471 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.19 103.81 14.5 Favored 'General case' 0 C--N 1.383 2.05 0 CA-C-N 114.258 -1.337 . . . . 0.0 108.716 -177.571 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -108.75 163.34 12.69 Favored Glycine 0 C--N 1.39 3.536 0 O-C-N 121.363 -0.835 . . . . 0.0 113.28 175.735 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -98.76 44.2 1.04 Allowed 'General case' 0 C--N 1.381 1.974 0 CA-C-O 123.52 1.628 . . . . 0.0 107.351 177.571 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 44.0 ttp -163.69 122.22 1.27 Allowed Pre-proline 0 C--N 1.378 1.828 0 N-CA-C 103.141 -2.911 . . . . 0.0 103.141 177.007 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -50.7 136.69 42.27 Favored 'Trans proline' 0 C--N 1.393 2.914 0 C-N-CA 121.778 1.652 . . . . 0.0 112.807 -177.832 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -78.76 171.65 55.14 Favored Glycine 0 C--N 1.389 3.488 0 C-N-CA 119.093 -1.527 . . . . 0.0 110.487 175.845 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.431 ' HB2' ' HB2' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -57.99 158.32 21.72 Favored 'Trans proline' 0 C--N 1.382 2.309 0 CA-C-O 122.651 1.021 . . . . 0.0 113.974 176.154 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . 0.255 0.5 OUTLIER -82.92 144.68 29.87 Favored 'General case' 0 C--N 1.385 2.141 0 CA-C-N 114.059 -1.428 . . . . 0.0 110.159 -178.312 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.429 ' SG ' ' N ' ' A' ' 52' ' ' CYS . 36.1 t -118.97 155.99 30.37 Favored 'General case' 0 C--N 1.395 2.581 0 N-CA-C 118.864 2.912 . . . . 0.0 118.864 -164.499 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.429 ' N ' ' SG ' ' A' ' 51' ' ' CYS . 5.2 t -142.06 160.46 40.18 Favored 'General case' 0 C--N 1.388 2.266 0 C-N-CA 127.904 2.482 . . . . 0.0 111.115 177.162 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -125.1 62.75 1.16 Allowed 'General case' 0 C--N 1.391 2.395 0 CA-C-N 119.371 0.987 . . . . 0.0 109.074 -179.659 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.17 167.73 28.32 Favored 'General case' 0 C--N 1.385 2.152 0 C-N-CA 118.413 -1.315 . . . . 0.0 111.5 177.935 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.495 ' OD1' ' NZ ' ' A' ' 56' ' ' LYS . 39.6 t0 -68.04 118.85 11.76 Favored 'General case' 0 C--N 1.385 2.137 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 174.605 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.495 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 0.0 OUTLIER 71.59 -54.8 0.67 Allowed 'General case' 0 C--N 1.398 2.705 0 C-N-CA 127.336 2.254 . . . . 0.0 113.956 -177.772 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 92.5 m 56.43 59.37 3.66 Favored 'General case' 0 CA--C 1.581 2.137 0 N-CA-C 104.552 -2.388 . . . . 0.0 104.552 -163.213 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 74.7 -64.78 0.37 Allowed 'General case' 0 C--N 1.39 2.358 0 C-N-CA 131.267 3.827 . . . . 0.0 112.326 174.583 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.551 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 25.7 tp . . . . . 0 CA--C 1.58 2.118 0 N-CA-C 101.998 -3.334 . . . . 0.0 101.998 -171.095 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.0 tpp85 . . . . . 0 N--CA 1.535 3.802 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.6 mp -102.49 128.71 54.97 Favored 'Isoleucine or valine' 0 C--N 1.39 2.328 0 CA-C-O 123.183 1.468 . . . . 0.0 109.77 -174.948 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.0 p -152.44 153.47 33.6 Favored 'General case' 0 C--N 1.383 2.028 0 CA-C-N 114.826 -1.079 . . . . 0.0 108.948 175.63 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -77.62 176.09 9.28 Favored 'General case' 0 C--N 1.39 2.359 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 -165.141 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -152.99 52.17 0.75 Allowed 'General case' 0 C--N 1.386 2.182 0 N-CA-C 103.097 -2.927 . . . . 0.0 103.097 168.738 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.191 8.4 m170 -104.05 -147.59 0.39 Allowed 'General case' 0 C--N 1.389 2.285 0 C-N-CA 126.656 1.982 . . . . 0.0 110.489 -175.327 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.358 5.6 mp 62.73 -170.8 0.17 Allowed 'General case' 0 C--N 1.387 2.212 0 CA-C-O 123.008 1.385 . . . . 0.0 112.762 173.45 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.3 -80.62 1.81 Allowed Glycine 0 C--N 1.383 3.184 0 N-CA-C 105.11 -3.196 . . . . 0.0 105.11 -167.738 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 87.0 m -140.98 -32.95 0.54 Allowed 'General case' 0 C--N 1.378 1.842 0 CA-C-N 114.24 -0.98 . . . . 0.0 111.108 -179.569 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -107.77 115.81 58.38 Favored Pre-proline 0 CA--C 1.58 2.107 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 -175.273 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -87.51 -16.58 3.06 Favored 'Trans proline' 0 C--N 1.404 3.466 0 N-CA-C 122.0 3.808 . . . . 0.0 122.0 -175.927 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -77.24 -21.01 12.25 Favored 'Trans proline' 0 C--N 1.395 2.994 1 N-CA-C 125.83 5.281 . . . . 0.0 125.83 -171.839 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.5 p -77.84 141.09 39.37 Favored 'General case' 0 C--N 1.394 2.53 0 CA-C-N 125.054 3.57 . . . . 0.0 113.209 -174.338 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.3 p -129.68 144.49 51.31 Favored 'General case' 0 C--N 1.381 1.959 0 CA-C-N 112.947 -1.933 . . . . 0.0 109.216 -176.988 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -109.74 106.01 15.48 Favored 'General case' 0 C--N 1.381 1.961 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 -174.736 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 67.7 m -87.57 107.29 18.52 Favored 'General case' 0 C--N 1.386 2.17 0 N-CA-C 102.777 -3.045 . . . . 0.0 102.777 177.512 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -119.26 145.82 45.76 Favored 'General case' 0 C--N 1.393 2.489 0 CA-C-O 122.987 1.375 . . . . 0.0 113.123 -168.714 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.2 mp0 -89.29 52.41 2.37 Favored 'General case' 0 C--N 1.386 2.155 0 CA-C-N 113.42 -1.718 . . . . 0.0 106.5 177.519 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -149.58 129.09 13.05 Favored 'General case' 0 C--N 1.379 1.872 0 N-CA-C 105.192 -2.151 . . . . 0.0 105.192 -179.854 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.129 45.8 m-20 -41.64 -47.94 4.0 Favored 'General case' 0 C--N 1.381 1.942 0 C-N-CA 126.679 1.992 . . . . 0.0 110.739 -179.132 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.5 m -124.78 164.97 18.85 Favored 'General case' 0 C--N 1.389 2.291 0 CA-C-O 124.89 2.281 . . . . 0.0 115.652 -169.009 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.4 p -148.53 166.95 26.68 Favored 'General case' 0 C--N 1.378 1.835 0 CA-C-N 111.35 -2.659 . . . . 0.0 113.317 174.431 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -113.69 146.93 39.08 Favored 'General case' 0 C--N 1.379 1.876 0 CA-C-N 114.391 -1.277 . . . . 0.0 111.267 -171.95 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.549 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 59.3 mttt -120.67 110.91 16.97 Favored 'General case' 0 C--N 1.388 2.251 0 N-CA-C 104.841 -2.281 . . . . 0.0 104.841 179.069 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.635 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 2.2 t30 -113.83 129.25 56.61 Favored 'General case' 0 CA--C 1.581 2.141 0 C-N-CA 126.4 1.88 . . . . 0.0 106.736 -164.095 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -123.39 -23.99 2.39 Favored 'Isoleucine or valine' 0 C--N 1.401 2.805 0 N-CA-C 117.192 2.293 . . . . 0.0 117.192 -155.641 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.635 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -65.37 -99.26 0.0 OUTLIER 'General case' 0 CA--C 1.589 2.455 1 C-N-CA 131.918 4.087 . . . . 0.0 106.334 175.681 . . . . . . . . 4 4 . 1 . 029 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.255 9.7 t 74.97 -11.12 1.11 Allowed 'General case' 0 C--N 1.39 2.343 0 CA-C-O 116.842 -1.551 . . . . 0.0 113.886 174.825 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . 0.313 91.4 t80 86.62 -37.88 0.04 OUTLIER 'General case' 0 C--N 1.393 2.468 0 CA-C-N 122.698 2.499 . . . . 0.0 108.96 -173.192 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -86.25 -6.46 58.97 Favored 'General case' 0 CA--C 1.578 2.049 0 CA-C-O 116.784 -1.579 . . . . 0.0 112.988 177.501 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.8 t30 64.55 73.3 0.43 Allowed 'General case' 0 C--N 1.396 2.623 0 CA-C-N 122.943 2.61 . . . . 0.0 105.187 177.271 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 tp -159.0 157.42 3.23 Favored 'Isoleucine or valine' 0 C--N 1.392 2.433 0 C-N-CA 119.388 -0.925 . . . . 0.0 112.224 -174.947 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.6 mm -96.42 94.36 4.08 Favored 'Isoleucine or valine' 0 C--N 1.39 2.328 0 N-CA-C 106.067 -1.827 . . . . 0.0 106.067 177.898 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.73 128.17 21.27 Favored 'General case' 0 C--N 1.382 1.985 0 N-CA-C 104.155 -2.535 . . . . 0.0 104.155 179.851 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.451 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -169.47 -165.97 0.56 Allowed 'General case' 0 C--N 1.399 2.758 0 C-N-CA 117.635 -1.626 . . . . 0.0 113.067 -148.458 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -179.77 -178.54 48.52 Favored Glycine 0 C--N 1.393 3.742 1 C-N-CA 113.596 -4.145 . . . . 0.0 119.209 -170.28 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 47.3 t -66.73 121.5 15.57 Favored 'General case' 0 C--N 1.391 2.371 0 CA-C-N 114.157 -1.021 . . . . 0.0 108.908 -176.916 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.45 -108.96 0.21 Allowed Glycine 1 C--N 1.402 4.225 0 C-N-CA 116.212 -2.899 . . . . 0.0 107.962 179.187 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.394 41.9 t 81.57 -163.35 0.02 OUTLIER 'General case' 0 C--N 1.387 2.237 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 176.932 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 57.46 55.47 5.69 Favored 'General case' 0 C--N 1.385 2.112 0 CA-C-N 114.795 -1.093 . . . . 0.0 108.414 173.562 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 t -119.73 81.74 25.86 Favored Pre-proline 0 C--N 1.393 2.495 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 178.243 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -99.86 92.63 0.05 OUTLIER 'Trans proline' 0 C--N 1.401 3.308 0 N-CA-C 103.94 -3.138 . . . . 0.0 103.94 178.075 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.1 ttp85 89.7 87.34 0.01 OUTLIER 'General case' 0 C--N 1.391 2.398 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 -179.325 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -99.69 158.34 19.76 Favored Glycine 0 C--N 1.392 3.689 0 N-CA-C 115.632 1.013 . . . . 0.0 115.632 -178.623 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -123.52 30.04 6.39 Favored 'General case' 0 CA--C 1.581 2.163 0 CA-C-O 122.416 1.103 . . . . 0.0 110.833 178.048 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.9 ptt? -154.71 161.83 28.49 Favored Pre-proline 0 C--N 1.376 1.743 0 C-N-CA 126.991 2.116 . . . . 0.0 108.292 -179.275 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -59.74 118.57 5.47 Favored 'Trans proline' 0 C--N 1.394 2.961 0 N-CA-C 106.587 -2.12 . . . . 0.0 106.587 178.781 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -111.37 115.64 3.98 Favored Glycine 0 C--N 1.395 3.858 0 N-CA-C 109.408 -1.477 . . . . 0.0 109.408 -178.324 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . 0.255 19.1 Cg_exo -58.93 -178.83 0.13 Allowed 'Trans proline' 0 C--N 1.384 2.415 1 C-N-CA 127.332 5.354 . . . . 0.0 115.565 172.991 . . . . . . . . 3 2 . 1 . 029 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -89.98 141.55 28.55 Favored 'General case' 0 C--N 1.388 2.26 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 173.452 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 34.0 m -115.76 147.49 40.88 Favored 'General case' 0 C--N 1.391 2.412 0 CA-C-O 123.503 1.621 . . . . 0.0 113.46 -172.799 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 23.0 t -110.03 146.14 35.83 Favored 'General case' 0 C--N 1.382 2.015 0 CA-C-N 113.068 -1.878 . . . . 0.0 107.94 169.683 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -130.73 26.3 5.01 Favored 'General case' 0 C--N 1.378 1.836 0 CA-C-O 122.669 1.223 . . . . 0.0 110.148 172.527 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.4 p -127.27 171.33 11.57 Favored 'General case' 0 C--N 1.379 1.865 0 C-N-CA 127.322 2.249 . . . . 0.0 109.718 177.642 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.473 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 30.8 t0 -72.99 129.77 38.84 Favored 'General case' 0 C--N 1.385 2.122 0 C-N-CA 117.621 -1.631 . . . . 0.0 108.278 178.182 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.473 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 40.3 mmtm 76.3 -69.21 0.17 Allowed 'General case' 0 C--N 1.391 2.408 0 C-N-CA 127.006 2.122 . . . . 0.0 113.849 172.3 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.254 58.8 m 61.18 63.84 1.18 Allowed 'General case' 0 CA--C 1.582 2.202 0 N-CA-C 105.155 -2.165 . . . . 0.0 105.155 -166.926 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.259 87.1 m-20 69.92 -57.88 0.54 Allowed 'General case' 0 C--N 1.39 2.331 0 C-N-CA 130.851 3.66 . . . . 0.0 112.334 175.882 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.549 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 2.5 mt . . . . . 0 CA--C 1.591 2.554 0 N-CA-C 104.813 -2.292 . . . . 0.0 104.813 -178.517 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.447 HH21 ' CG ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.537 3.906 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.0 mt -75.5 125.61 35.31 Favored 'Isoleucine or valine' 0 C--N 1.395 2.556 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 176.95 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.1 m -136.79 178.51 7.02 Favored 'General case' 0 C--N 1.383 2.052 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.883 169.491 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.426 ' CD2' HG22 ' A' ' 14' ' ' THR . 19.8 m-85 -112.16 172.01 7.16 Favored 'General case' 0 C--N 1.38 1.896 0 N-CA-C 115.386 1.624 . . . . 0.0 115.386 -165.712 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 48.9 p30 -156.43 34.39 0.32 Allowed 'General case' 0 C--N 1.39 2.356 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 169.095 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.174 14.9 m170 -75.08 -168.74 0.8 Allowed 'General case' 0 C--N 1.387 2.207 0 C-N-CA 125.514 1.526 . . . . 0.0 113.436 -176.991 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.311 20.5 mt 69.82 -168.4 0.17 Allowed 'General case' 0 C--N 1.385 2.114 0 CA-C-O 121.827 0.823 . . . . 0.0 112.689 174.348 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.484 ' H ' HG12 ' A' ' 32' ' ' ILE . . . 90.84 -66.2 2.56 Favored Glycine 0 C--N 1.383 3.182 0 N-CA-C 105.682 -2.967 . . . . 0.0 105.682 -166.712 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.9 m -151.07 -41.24 0.12 Allowed 'General case' 0 C--N 1.378 1.847 0 CA-C-N 113.198 -1.501 . . . . 0.0 108.096 175.154 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -103.37 128.32 27.77 Favored Pre-proline 0 CA--C 1.585 2.29 0 CA-C-O 118.934 -0.555 . . . . 0.0 112.268 -173.079 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -93.91 -2.26 3.03 Favored 'Trans proline' 0 C--N 1.411 3.839 1 N-CA-C 123.611 4.427 . . . . 0.0 123.611 -176.17 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -90.15 -18.17 1.43 Allowed 'Trans proline' 0 C--N 1.399 3.196 1 N-CA-C 124.151 4.635 . . . . 0.0 124.151 -172.957 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.6 p -86.08 142.6 28.58 Favored 'General case' 0 C--N 1.391 2.388 0 CA-C-N 123.189 2.722 . . . . 0.0 116.505 -170.983 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.426 HG22 ' CD2' ' A' ' 4' ' ' TYR . 64.9 p -140.12 148.53 41.81 Favored 'General case' 0 C--N 1.38 1.898 0 CA-C-N 110.783 -2.917 . . . . 0.0 108.189 -179.666 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -115.78 119.4 35.9 Favored 'General case' 0 C--N 1.379 1.868 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 -174.72 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 53.6 m -75.25 107.08 7.12 Favored 'General case' 0 C--N 1.393 2.487 0 N-CA-C 101.93 -3.359 . . . . 0.0 101.93 169.457 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.6 t -113.96 146.97 39.36 Favored 'General case' 0 C--N 1.394 2.529 0 CA-C-O 123.249 1.5 . . . . 0.0 111.317 -170.111 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -89.93 -18.94 25.16 Favored 'General case' 0 C--N 1.383 2.043 0 CA-C-N 113.436 -1.711 . . . . 0.0 113.085 -174.27 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -76.32 128.71 35.42 Favored 'General case' 0 C--N 1.388 2.28 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 177.152 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.447 ' CG ' HH21 ' A' ' 1' ' ' ARG 2.163 46.9 m-20 -63.27 1.22 0.52 Allowed 'General case' 0 C--N 1.389 2.299 0 C-N-CA 127.913 2.485 . . . . 0.0 116.36 -172.589 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.9 m -144.11 152.07 40.44 Favored 'General case' 0 C--N 1.375 1.715 0 CA-C-O 122.779 1.276 . . . . 0.0 108.273 179.213 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.6 p -151.57 145.56 25.22 Favored 'General case' 0 C--N 1.379 1.887 0 CA-C-O 123.328 1.537 . . . . 0.0 109.38 -179.152 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.407 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 35.4 p90 -116.96 144.9 44.03 Favored 'General case' 0 C--N 1.38 1.933 0 CA-C-N 114.34 -1.3 . . . . 0.0 114.445 -161.406 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.455 ' NZ ' ' O ' ' A' ' 58' ' ' ASN . 25.5 mtpp -96.21 112.31 24.09 Favored 'General case' 0 C--N 1.387 2.234 0 N-CA-C 104.232 -2.507 . . . . 0.0 104.232 177.6 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.512 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 2.2 t30 -115.43 126.02 53.84 Favored 'General case' 0 CA--C 1.582 2.194 0 N-CA-C 102.682 -3.081 . . . . 0.0 102.682 -175.709 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.38 -19.48 3.42 Favored 'Isoleucine or valine' 0 C--N 1.393 2.471 0 N-CA-C 116.883 2.179 . . . . 0.0 116.883 -149.568 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.512 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -85.54 -99.03 0.07 Allowed 'General case' 0 CA--C 1.578 2.03 1 C-N-CA 133.974 4.91 . . . . 0.0 104.986 178.205 . . . . . . . . 4 4 . 1 . 030 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.5 t 75.2 155.25 0.16 Allowed 'General case' 0 C--N 1.39 2.343 0 CA-C-O 122.467 1.127 . . . . 0.0 110.841 178.282 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -54.77 -44.23 73.47 Favored 'General case' 0 C--N 1.388 2.272 0 O-C-N 121.625 -0.672 . . . . 0.0 110.976 179.543 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.53 4.36 13.54 Favored 'General case' 0 CA--C 1.581 2.143 0 C-N-CA 128.48 2.712 . . . . 0.0 113.477 -177.608 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 53.06 67.63 0.97 Allowed 'General case' 0 C--N 1.394 2.533 0 CA-C-N 122.082 2.219 . . . . 0.0 105.598 178.019 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.484 HG12 ' H ' ' A' ' 8' ' ' GLY . 8.5 tp -153.52 164.45 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.384 2.089 0 CA-C-N 114.673 -1.149 . . . . 0.0 111.682 -169.53 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.9 mp -92.31 98.09 7.97 Favored 'Isoleucine or valine' 0 C--N 1.384 2.093 0 N-CA-C 102.636 -3.098 . . . . 0.0 102.636 173.844 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.51 HH11 ' HG2' ' A' ' 34' ' ' ARG . 9.0 ttp85 -143.57 125.1 14.83 Favored 'General case' 0 C--N 1.386 2.192 0 N-CA-C 103.841 -2.652 . . . . 0.0 103.841 -177.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.425 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -152.0 -166.54 2.52 Favored 'General case' 0 C--N 1.388 2.258 0 C-N-CA 118.087 -1.445 . . . . 0.0 114.166 -157.949 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -170.51 -169.02 33.12 Favored Glycine 0 C--N 1.393 3.71 1 C-N-CA 113.213 -4.327 . . . . 0.0 119.029 -174.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.4 t -95.87 117.29 30.3 Favored 'General case' 0 C--N 1.384 2.09 0 CA-C-N 113.382 -1.409 . . . . 0.0 109.331 -174.516 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.37 -87.37 0.07 OUTLIER Glycine 0 C--N 1.395 3.82 0 C-N-CA 116.973 -2.537 . . . . 0.0 106.783 173.951 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.351 28.4 t 78.53 -164.38 0.03 OUTLIER 'General case' 0 C--N 1.387 2.201 0 CA-C-N 114.57 -0.815 . . . . 0.0 112.216 -176.903 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 64.03 65.03 0.71 Allowed 'General case' 0 CA--C 1.586 2.345 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 164.293 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.2 t -127.72 95.11 35.78 Favored Pre-proline 0 C--N 1.396 2.6 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -178.29 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -108.35 79.7 0.02 OUTLIER 'Trans proline' 0 C--N 1.406 3.556 0 N-CA-C 109.119 -1.147 . . . . 0.0 109.119 -175.446 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.537 HH11 ' HG2' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -154.99 154.66 32.88 Favored 'General case' 0 C--N 1.391 2.397 0 O-C-N 121.197 -0.939 . . . . 0.0 109.836 177.525 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.08 -27.56 15.83 Favored Glycine 0 C--N 1.394 3.802 0 CA-C-O 117.439 -1.756 . . . . 0.0 117.466 -171.545 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -116.8 40.08 3.04 Favored 'General case' 0 C--N 1.38 1.931 0 CA-C-N 120.567 2.183 . . . . 0.0 108.703 -178.838 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.4 tpt -146.94 99.68 3.99 Favored Pre-proline 0 CA--C 1.579 2.074 0 N-CA-C 102.717 -3.068 . . . . 0.0 102.717 -177.749 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -97.32 105.96 0.08 OUTLIER 'Trans proline' 0 C--N 1.399 3.191 0 N-CA-C 107.625 -1.721 . . . . 0.0 107.625 -170.008 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.57 155.43 24.9 Favored Glycine 0 C--N 1.39 3.578 0 O-C-N 120.759 -1.213 . . . . 0.0 112.673 177.861 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -50.7 151.92 10.13 Favored 'Trans proline' 0 C--N 1.393 2.888 0 CA-C-O 124.094 1.623 . . . . 0.0 108.591 169.817 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 26.7 p90 -77.93 149.87 34.11 Favored 'General case' 0 C--N 1.383 2.024 0 CA-C-N 113.454 -1.703 . . . . 0.0 110.679 -178.562 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.8 m -118.67 160.28 22.12 Favored 'General case' 0 C--N 1.391 2.392 0 N-CA-C 116.626 2.084 . . . . 0.0 116.626 -166.477 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.2 t -122.72 157.57 32.01 Favored 'General case' 0 C--N 1.38 1.925 0 CA-C-N 112.19 -2.277 . . . . 0.0 109.535 169.377 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -135.15 52.36 2.04 Favored 'General case' 0 C--N 1.383 2.046 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 170.887 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 t -143.58 174.14 11.04 Favored 'General case' 0 C--N 1.386 2.194 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.798 177.178 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.515 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 25.7 t70 -66.12 126.36 28.42 Favored 'General case' 0 C--N 1.387 2.197 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 179.16 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.515 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 36.8 mmtm 71.03 -87.93 0.03 OUTLIER 'General case' 0 C--N 1.388 2.26 0 C-N-CA 126.467 1.907 . . . . 0.0 110.098 176.123 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.293 5.1 m 82.53 50.42 0.02 OUTLIER 'General case' 0 C--N 1.385 2.146 0 C-N-CA 129.025 2.93 . . . . 0.0 109.162 -174.612 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.455 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 71.0 m-80 54.6 58.41 4.9 Favored 'General case' 0 C--N 1.39 2.337 0 C-N-CA 125.498 1.519 . . . . 0.0 109.01 174.442 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.8 tt . . . . . 0 CA--C 1.581 2.137 0 N-CA-C 102.649 -3.093 . . . . 0.0 102.649 -175.186 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.46 ' HG2' HH11 ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 1 N--CA 1.541 4.093 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 . . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 78.2 mt -136.68 128.72 44.04 Favored 'Isoleucine or valine' 0 C--N 1.384 2.085 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 177.528 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.3 m -132.46 143.91 50.11 Favored 'General case' 0 C--N 1.39 2.329 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 172.796 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -82.57 160.21 22.6 Favored 'General case' 0 C--N 1.391 2.37 0 O-C-N 120.377 -1.452 . . . . 0.0 113.956 -167.419 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -138.33 -1.52 1.9 Allowed 'General case' 0 C--N 1.394 2.535 0 CA-C-O 118.228 -0.891 . . . . 0.0 112.24 -173.247 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.474 ' HB2' ' H ' ' A' ' 13' ' ' THR 2.217 15.6 m170 -68.38 -155.69 0.02 OUTLIER 'General case' 0 C--N 1.384 2.087 0 C-N-CA 125.783 1.633 . . . . 0.0 114.66 -170.277 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.489 ' H ' ' HA ' ' A' ' 11' ' ' PRO 0.281 60.9 mt 77.89 178.85 0.14 Allowed 'General case' 0 C--N 1.383 2.033 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 172.439 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 64.59 -127.05 33.67 Favored Glycine 0 CA--C 1.572 3.641 0 CA-C-O 123.155 1.42 . . . . 0.0 109.731 -170.711 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.1 m -69.79 -42.02 74.32 Favored 'General case' 0 C--N 1.385 2.121 0 O-C-N 121.878 -0.777 . . . . 0.0 111.142 -172.34 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -121.19 106.57 38.33 Favored Pre-proline 0 C--N 1.383 2.029 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 -173.453 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.489 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 81.0 Cg_exo -84.22 -9.51 9.43 Favored 'Trans proline' 0 C--N 1.4 3.265 0 N-CA-C 122.385 3.956 . . . . 0.0 122.385 -176.66 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -75.8 -12.39 19.98 Favored 'Trans proline' 0 C--N 1.394 2.924 1 N-CA-C 128.474 6.298 . . . . 0.0 128.474 -172.968 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.474 ' H ' ' HB2' ' A' ' 6' ' ' HIS . 31.1 p -111.12 160.11 17.2 Favored 'General case' 0 C--N 1.389 2.321 1 CA-C-N 126.443 4.202 . . . . 0.0 118.942 -171.993 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 67.1 p -132.56 148.44 52.37 Favored 'General case' 0 C--N 1.373 1.629 0 CA-C-N 110.337 -3.119 . . . . 0.0 107.886 179.911 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -115.94 113.55 23.43 Favored 'General case' 0 C--N 1.384 2.075 0 CA-C-O 123.185 1.469 . . . . 0.0 110.121 -171.766 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 m -69.12 124.55 24.08 Favored 'General case' 0 C--N 1.392 2.441 0 N-CA-C 105.037 -2.208 . . . . 0.0 105.037 167.144 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -119.81 131.82 55.42 Favored 'General case' 0 C--N 1.384 2.072 0 N-CA-C 106.008 -1.849 . . . . 0.0 106.008 174.642 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -141.29 56.8 1.53 Allowed 'General case' 0 C--N 1.376 1.733 0 N-CA-C 103.665 -2.717 . . . . 0.0 103.665 166.335 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -131.27 47.02 2.58 Favored 'General case' 0 C--N 1.383 2.051 0 N-CA-C 106.171 -1.789 . . . . 0.0 106.171 -179.406 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.346 0.9 OUTLIER 78.48 -44.8 0.39 Allowed 'General case' 0 C--N 1.385 2.134 0 C-N-CA 127.214 2.206 . . . . 0.0 114.819 173.367 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.0 m -148.39 162.55 39.33 Favored 'General case' 0 C--N 1.385 2.119 0 CA-C-O 123.795 1.759 . . . . 0.0 115.46 -170.213 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -142.77 178.76 7.43 Favored 'General case' 0 C--N 1.384 2.103 0 CA-C-N 112.955 -1.929 . . . . 0.0 112.412 174.397 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -152.81 156.63 39.43 Favored 'General case' 0 C--N 1.383 2.037 0 CA-C-O 123.546 1.641 . . . . 0.0 114.92 -170.021 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.32 135.06 50.25 Favored 'General case' 0 C--N 1.384 2.086 0 CA-C-N 112.119 -2.31 . . . . 0.0 107.076 173.388 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.611 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 22.2 t-20 -133.57 119.04 18.96 Favored 'General case' 0 CA--C 1.573 1.843 0 N-CA-C 103.105 -2.924 . . . . 0.0 103.105 -177.278 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -136.37 -25.39 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.404 2.978 0 N-CA-C 118.798 2.888 . . . . 0.0 118.798 -151.496 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.611 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -63.83 -109.66 0.0 OUTLIER 'General case' 0 CA--C 1.591 2.547 1 C-N-CA 132.361 4.264 . . . . 0.0 108.146 172.262 . . . . . . . . 4 4 . 1 . 031 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.9 t 76.64 160.18 0.22 Allowed 'General case' 0 C--N 1.394 2.511 0 C-N-CA 125.744 1.618 . . . . 0.0 112.867 176.776 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -60.95 -46.27 91.39 Favored 'General case' 0 C--N 1.393 2.469 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 172.457 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -76.05 0.46 18.58 Favored 'General case' 0 CA--C 1.575 1.941 0 C-N-CA 126.899 2.079 . . . . 0.0 113.966 -176.711 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 54.49 67.46 1.01 Allowed 'General case' 0 C--N 1.396 2.607 0 CA-C-N 122.963 2.62 . . . . 0.0 107.498 173.155 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.0 tp -155.25 153.7 7.58 Favored 'Isoleucine or valine' 0 C--N 1.387 2.218 0 CA-C-O 121.811 0.815 . . . . 0.0 110.56 -174.819 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 30.1 mt -94.59 93.26 3.83 Favored 'Isoleucine or valine' 0 C--N 1.388 2.252 0 N-CA-C 105.343 -2.095 . . . . 0.0 105.343 179.499 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.422 HH11 ' HG2' ' A' ' 34' ' ' ARG . 1.8 ttp85 -130.88 111.74 12.36 Favored 'General case' 0 C--N 1.385 2.119 0 N-CA-C 103.179 -2.897 . . . . 0.0 103.179 -176.408 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.424 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -153.57 -162.42 1.45 Allowed 'General case' 0 C--N 1.383 2.041 0 CA-C-N 111.815 -2.448 . . . . 0.0 111.818 -154.32 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 178.42 -164.02 32.36 Favored Glycine 0 C--N 1.391 3.602 1 C-N-CA 113.569 -4.158 . . . . 0.0 119.046 -173.544 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.9 t -93.37 110.58 22.12 Favored 'General case' 0 C--N 1.38 1.893 0 CA-C-N 111.6 -2.3 . . . . 0.0 108.013 -178.418 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.11 -97.24 0.11 Allowed Glycine 1 C--N 1.4 4.121 0 C-N-CA 115.34 -3.314 . . . . 0.0 107.907 176.383 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.449 20.5 t 85.92 -155.96 0.01 OUTLIER 'General case' 0 C--N 1.38 1.897 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 179.226 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 62.9 69.51 0.59 Allowed 'General case' 0 C--N 1.386 2.162 0 N-CA-C 104.613 -2.366 . . . . 0.0 104.613 176.91 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 77.2 p -110.1 82.28 2.49 Favored Pre-proline 0 C--N 1.389 2.32 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 -178.219 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -77.85 160.25 30.83 Favored 'Trans proline' 0 C--N 1.392 2.838 0 N-CA-C 109.139 -1.139 . . . . 0.0 109.139 179.412 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.45 79.29 9.49 Favored 'General case' 0 C--N 1.386 2.175 0 N-CA-C 101.803 -3.406 . . . . 0.0 101.803 177.545 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -104.21 22.75 33.88 Favored Glycine 0 C--N 1.391 3.586 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 171.149 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.292 38.0 m-20 65.97 41.02 3.85 Favored 'General case' 0 C--N 1.383 2.057 0 C-N-CA 128.301 2.641 . . . . 0.0 108.673 -175.624 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 51.1 mtm -133.55 126.89 19.36 Favored Pre-proline 0 C--N 1.388 2.254 0 N-CA-C 106.24 -1.763 . . . . 0.0 106.24 179.16 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_exo -69.87 174.16 10.01 Favored 'Trans proline' 0 C--N 1.398 3.135 0 N-CA-C 115.904 1.463 . . . . 0.0 115.904 178.727 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -178.12 172.11 44.61 Favored Glycine 0 C--N 1.39 3.532 0 C-N-CA 118.868 -1.634 . . . . 0.0 113.243 179.398 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -64.59 171.45 8.25 Favored 'Trans proline' 0 C--N 1.389 2.703 0 O-C-N 123.075 1.039 . . . . 0.0 111.301 172.883 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -97.85 128.53 44.53 Favored 'General case' 0 C--N 1.389 2.294 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 179.345 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.3 m -121.03 167.6 12.42 Favored 'General case' 0 C--N 1.392 2.436 0 N-CA-C 117.593 2.442 . . . . 0.0 117.593 -162.033 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.9 t -158.36 158.43 34.25 Favored 'General case' 0 C--N 1.387 2.196 0 CA-C-N 113.593 -1.639 . . . . 0.0 111.967 -174.722 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -120.72 49.56 1.44 Allowed 'General case' 0 C--N 1.384 2.094 0 CA-C-O 121.201 0.524 . . . . 0.0 110.482 -178.623 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 93.5 p -143.55 166.5 24.65 Favored 'General case' 0 C--N 1.385 2.125 0 C-N-CA 123.829 0.852 . . . . 0.0 110.574 177.441 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.458 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 29.5 t0 -73.86 119.8 18.57 Favored 'General case' 0 C--N 1.395 2.572 0 C-N-CA 119.645 -0.822 . . . . 0.0 109.121 -170.237 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.458 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.304 3.5 mppt? 68.37 -57.65 0.48 Allowed 'General case' 0 C--N 1.4 2.788 0 C-N-CA 127.489 2.315 . . . . 0.0 107.96 -169.395 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 37.9 t 81.16 -50.87 0.29 Allowed 'General case' 0 C--N 1.383 2.06 0 C-N-CA 129.098 2.959 . . . . 0.0 108.485 178.877 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -123.97 -93.05 0.51 Allowed 'General case' 0 C--N 1.386 2.189 0 N-CA-C 102.865 -3.013 . . . . 0.0 102.865 169.449 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 CA--C 1.581 2.139 0 N-CA-C 102.076 -3.305 . . . . 0.0 102.076 -175.532 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.534 3.758 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 . . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.4 mt -106.3 129.83 59.0 Favored 'Isoleucine or valine' 0 C--N 1.389 2.314 0 CA-C-O 121.935 0.874 . . . . 0.0 111.49 -170.732 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.5 m -141.01 162.17 36.11 Favored 'General case' 0 C--N 1.389 2.325 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 167.688 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -78.59 149.23 33.01 Favored 'General case' 0 C--N 1.388 2.275 0 O-C-N 121.144 -0.972 . . . . 0.0 112.424 -174.79 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -138.63 57.37 1.69 Allowed 'General case' 0 C--N 1.387 2.231 0 N-CA-C 104.4 -2.444 . . . . 0.0 104.4 177.074 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.164 3.4 m170 -108.2 -149.34 0.43 Allowed 'General case' 0 C--N 1.386 2.195 0 C-N-CA 128.18 2.592 . . . . 0.0 112.045 -174.903 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.373 4.7 mp 64.6 -163.43 0.26 Allowed 'General case' 0 C--N 1.389 2.301 0 CA-C-O 122.388 1.09 . . . . 0.0 111.758 172.203 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.52 -52.3 4.68 Favored Glycine 0 C--N 1.384 3.244 0 N-CA-C 108.837 -1.705 . . . . 0.0 108.837 -166.779 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.7 m -175.41 -43.07 0.01 OUTLIER 'General case' 0 C--N 1.384 2.098 0 C-N-CA 125.61 1.564 . . . . 0.0 107.147 -175.995 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -104.46 118.8 55.75 Favored Pre-proline 0 CA--C 1.591 2.526 0 C-N-CA 125.118 1.367 . . . . 0.0 110.657 -174.009 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -92.78 13.23 1.83 Allowed 'Trans proline' 0 C--N 1.41 3.793 0 N-CA-C 122.397 3.96 . . . . 0.0 122.397 -179.091 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -82.44 -19.24 6.57 Favored 'Trans proline' 0 C--N 1.405 3.516 1 N-CA-C 123.713 4.467 . . . . 0.0 123.713 -176.269 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.3 p -94.55 151.54 19.25 Favored 'General case' 0 C--N 1.392 2.419 0 CA-C-N 124.012 3.096 . . . . 0.0 116.46 -174.487 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 78.4 p -135.84 144.33 45.6 Favored 'General case' 0 C--N 1.382 2.016 0 CA-C-N 112.694 -2.048 . . . . 0.0 109.107 -176.904 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -99.88 88.75 3.86 Favored 'General case' 0 C--N 1.374 1.672 0 N-CA-C 105.39 -2.078 . . . . 0.0 105.39 -174.206 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.4 m -88.7 101.16 13.72 Favored 'General case' 0 C--N 1.389 2.317 0 N-CA-C 103.434 -2.802 . . . . 0.0 103.434 -179.75 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.6 t -131.65 160.79 34.36 Favored 'General case' 0 C--N 1.393 2.48 0 CA-C-O 123.303 1.525 . . . . 0.0 115.028 -163.292 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.63 -16.05 37.86 Favored 'General case' 0 C--N 1.378 1.832 0 CA-C-N 112.836 -1.984 . . . . 0.0 113.031 -178.27 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -74.36 127.72 33.73 Favored 'General case' 0 CA--C 1.585 2.294 0 N-CA-C 106.491 -1.67 . . . . 0.0 106.491 178.635 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.095 68.6 m-20 -47.45 -40.33 17.92 Favored 'General case' 0 C--N 1.388 2.253 0 C-N-CA 130.423 3.489 . . . . 0.0 114.735 -171.595 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.1 t -117.78 134.46 54.89 Favored 'General case' 0 C--N 1.378 1.826 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 -174.976 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.269 22.9 p -117.91 145.31 44.74 Favored 'General case' 0 C--N 1.383 2.029 0 CA-C-O 124.425 2.059 . . . . 0.0 109.468 173.541 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -112.01 157.58 20.57 Favored 'General case' 0 C--N 1.375 1.686 0 CA-C-N 113.007 -1.906 . . . . 0.0 112.077 -165.445 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.418 ' NZ ' ' O ' ' A' ' 57' ' ' CYS . 43.4 mttt -120.64 112.3 18.72 Favored 'General case' 0 C--N 1.378 1.832 0 CA-C-O 124.907 2.289 . . . . 0.0 104.967 -178.365 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -114.9 119.21 35.77 Favored 'General case' 0 CA--C 1.58 2.105 0 N-CA-C 102.986 -2.968 . . . . 0.0 102.986 -174.453 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.5 pp -135.24 28.04 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.395 2.562 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 -154.46 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.55 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -146.07 -107.02 0.1 Allowed 'General case' 0 CA--C 1.574 1.894 0 C-N-CA 127.58 2.352 . . . . 0.0 104.993 -164.199 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.4 t 75.83 160.6 0.23 Allowed 'General case' 0 C--N 1.391 2.386 0 O-C-N 120.9 -1.125 . . . . 0.0 111.815 179.229 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -59.15 -38.65 80.21 Favored 'General case' 0 C--N 1.391 2.371 0 O-C-N 121.795 -0.565 . . . . 0.0 109.764 176.063 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -79.17 2.57 20.53 Favored 'General case' 0 CA--C 1.585 2.324 0 C-N-CA 128.629 2.772 . . . . 0.0 114.362 -178.8 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . 0.251 1.5 t30 50.23 78.69 0.1 Allowed 'General case' 0 C--N 1.391 2.398 0 C-N-CA 128.157 2.583 . . . . 0.0 108.228 175.91 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 tp -160.52 170.25 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.388 2.247 0 C-N-CA 120.225 -0.59 . . . . 0.0 111.494 -175.981 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 59.2 mt -104.61 116.66 48.84 Favored 'Isoleucine or valine' 0 C--N 1.387 2.229 0 N-CA-C 105.333 -2.099 . . . . 0.0 105.333 172.385 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.511 HH11 ' HG2' ' A' ' 34' ' ' ARG . 3.3 ttp85 -161.16 110.66 1.64 Allowed 'General case' 0 C--N 1.383 2.023 0 N-CA-C 101.58 -3.489 . . . . 0.0 101.58 -171.987 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.401 HH22 ' C ' ' A' ' 59' ' ' LEU . 31.9 ptt85 -143.78 -172.47 3.75 Favored 'General case' 0 C--N 1.384 2.086 0 CA-C-N 114.4 -1.273 . . . . 0.0 113.397 -157.326 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 177.43 -167.72 38.97 Favored Glycine 0 C--N 1.39 3.569 0 C-N-CA 114.453 -3.737 . . . . 0.0 116.49 -171.533 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.1 p -90.98 124.13 34.99 Favored 'General case' 0 C--N 1.387 2.226 0 CA-C-O 122.59 1.186 . . . . 0.0 109.895 -178.645 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.1 -104.74 0.18 Allowed Glycine 0 C--N 1.392 3.655 0 N-CA-C 105.595 -3.002 . . . . 0.0 105.595 177.811 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.322 43.0 t 84.0 -49.55 0.12 Allowed 'General case' 0 C--N 1.39 2.345 0 O-C-N 121.768 -0.842 . . . . 0.0 111.132 177.002 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -89.71 79.27 6.79 Favored 'General case' 0 C--N 1.384 2.095 0 N-CA-C 103.028 -2.953 . . . . 0.0 103.028 -172.558 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 37.8 p -100.04 124.75 42.37 Favored Pre-proline 0 C--N 1.388 2.269 0 CA-C-N 114.126 -1.397 . . . . 0.0 110.084 -168.284 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -70.86 150.11 60.97 Favored 'Trans proline' 0 C--N 1.395 3.017 0 C-N-CA 120.888 1.059 . . . . 0.0 110.752 179.935 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.2 tpt85 -88.64 62.6 6.57 Favored 'General case' 0 C--N 1.391 2.401 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 -179.994 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -115.54 42.74 1.83 Allowed Glycine 0 C--N 1.387 3.377 0 N-CA-C 110.238 -1.145 . . . . 0.0 110.238 175.155 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.282 10.2 m-20 56.06 47.65 19.26 Favored 'General case' 0 C--N 1.384 2.088 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 178.828 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.9 ttm -113.65 135.42 21.95 Favored Pre-proline 0 C--N 1.386 2.185 0 C-N-CA 126.555 1.942 . . . . 0.0 106.251 178.195 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -64.03 146.78 91.5 Favored 'Trans proline' 0 C--N 1.396 3.037 0 CA-C-O 122.379 0.908 . . . . 0.0 112.552 -174.719 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.4 ' HA2' ' HD2' ' A' ' 49' ' ' PRO . . . -111.77 92.89 0.67 Allowed Glycine 0 C--N 1.386 3.313 0 N-CA-C 107.393 -2.283 . . . . 0.0 107.393 179.081 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.4 ' HD2' ' HA2' ' A' ' 48' ' ' GLY . 98.4 Cg_endo -58.35 163.08 10.87 Favored 'Trans proline' 0 C--N 1.388 2.647 0 C-N-CA 121.826 1.684 . . . . 0.0 110.135 172.051 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -75.22 148.01 39.86 Favored 'General case' 0 C--N 1.394 2.509 0 C-N-CA 117.569 -1.652 . . . . 0.0 108.421 178.418 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 17.7 m -118.64 157.59 27.11 Favored 'General case' 0 C--N 1.391 2.412 0 N-CA-C 116.252 1.945 . . . . 0.0 116.252 -167.295 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.4 t -145.5 161.84 38.8 Favored 'General case' 0 C--N 1.386 2.156 0 CA-C-N 113.704 -1.589 . . . . 0.0 110.5 172.478 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -137.52 36.26 2.46 Favored 'General case' 0 C--N 1.382 2.011 0 O-C-N 121.087 -1.008 . . . . 0.0 110.74 -179.213 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.4 t -123.05 157.1 33.5 Favored 'General case' 0 C--N 1.379 1.858 0 C-N-CA 126.515 1.926 . . . . 0.0 109.806 179.901 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.532 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 41.7 t0 -69.67 113.26 6.77 Favored 'General case' 0 C--N 1.389 2.301 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 -175.818 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.532 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.301 4.5 mptt 74.12 -44.26 0.56 Allowed 'General case' 0 C--N 1.397 2.667 0 C-N-CA 126.223 1.809 . . . . 0.0 110.152 -176.506 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.418 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 40.8 t 67.95 62.63 0.4 Allowed 'General case' 0 C--N 1.38 1.905 0 N-CA-C 104.787 -2.301 . . . . 0.0 104.787 177.9 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.2 m120 84.72 -66.72 0.05 OUTLIER 'General case' 0 C--N 1.391 2.382 0 C-N-CA 127.276 2.23 . . . . 0.0 107.219 179.643 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.409 ' OXT' ' NZ ' ' A' ' 24' ' ' LYS . 1.3 pt? . . . . . 0 CA--C 1.579 2.077 0 N-CA-C 102.927 -2.99 . . . . 0.0 102.927 177.868 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.491 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 23.1 mmt-85 . . . . . 0 N--CA 1.539 3.999 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 . . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.5 mt -124.81 127.96 72.97 Favored 'Isoleucine or valine' 0 C--N 1.383 2.055 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 174.289 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.6 m -132.94 178.94 6.49 Favored 'General case' 0 C--N 1.386 2.176 0 CA-C-O 121.433 0.635 . . . . 0.0 110.07 169.148 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -96.38 164.64 12.55 Favored 'General case' 0 C--N 1.378 1.841 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -174.776 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 34.3 p-10 -145.31 16.28 1.5 Allowed 'General case' 0 C--N 1.387 2.228 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.982 175.848 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.214 22.7 m-70 -70.08 -173.05 0.61 Allowed 'General case' 0 C--N 1.389 2.304 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -170.252 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.264 44.5 mt 73.5 179.47 0.22 Allowed 'General case' 0 C--N 1.391 2.373 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 175.699 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.52 -44.21 3.15 Favored Glycine 0 C--N 1.392 3.663 0 N-CA-C 115.402 0.921 . . . . 0.0 115.402 -176.402 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.6 m -161.89 -46.9 0.04 OUTLIER 'General case' 0 C--N 1.374 1.661 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 -176.363 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -101.04 142.74 25.22 Favored Pre-proline 0 C--N 1.39 2.332 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -171.42 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -58.64 166.5 6.37 Favored 'Trans proline' 0 C--N 1.402 3.382 0 C-N-CA 123.026 2.484 . . . . 0.0 114.29 170.367 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_exo -30.64 129.19 0.07 OUTLIER 'Trans proline' 0 C--N 1.398 3.147 1 C-N-CA 125.756 4.304 . . . . 0.0 115.946 -176.504 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.1 m -162.04 154.4 19.55 Favored 'General case' 0 C--N 1.39 2.365 0 N-CA-C 106.911 -1.515 . . . . 0.0 106.911 178.409 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.2 p -143.21 158.5 43.57 Favored 'General case' 0 C--N 1.382 2.015 0 C-N-CA 123.553 0.741 . . . . 0.0 111.853 -165.372 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -127.66 116.13 19.82 Favored 'General case' 0 C--N 1.387 2.231 0 CA-C-O 123.035 1.398 . . . . 0.0 110.708 -171.664 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.2 m -76.9 124.95 28.49 Favored 'General case' 0 C--N 1.39 2.361 0 N-CA-C 104.929 -2.248 . . . . 0.0 104.929 170.607 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.4 t -123.25 139.05 54.44 Favored 'General case' 0 C--N 1.385 2.13 0 CA-C-O 124.524 2.107 . . . . 0.0 110.361 -172.825 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.3 -22.0 15.79 Favored 'General case' 0 CA--C 1.569 1.701 0 C-N-CA 129.788 3.235 . . . . 0.0 110.034 174.315 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -81.31 108.27 14.8 Favored 'General case' 0 C--N 1.391 2.382 0 N-CA-C 102.401 -3.185 . . . . 0.0 102.401 171.179 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.148 66.0 m-20 -47.39 7.91 0.0 OUTLIER 'General case' 0 CA--C 1.584 2.276 1 C-N-CA 132.95 4.5 . . . . 0.0 118.6 -172.713 . . . . . . . . 4 3 . 1 . 033 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.1 t -149.91 131.35 14.74 Favored 'General case' 0 C--N 1.38 1.901 0 CA-C-N 122.186 2.267 . . . . 0.0 107.097 -178.495 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.3 p -136.4 144.11 44.33 Favored 'General case' 0 C--N 1.383 2.058 0 CA-C-O 123.288 1.518 . . . . 0.0 109.7 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -127.17 162.2 26.71 Favored 'General case' 0 C--N 1.386 2.161 0 N-CA-C 118.045 2.609 . . . . 0.0 118.045 -157.235 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.505 ' NZ ' ' OXT' ' A' ' 59' ' ' LEU . 65.7 mmtt -93.37 139.08 31.07 Favored 'General case' 0 C--N 1.398 2.677 0 CA-C-O 122.783 1.278 . . . . 0.0 107.716 166.407 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.568 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 2.6 t30 -136.03 122.86 21.21 Favored 'General case' 0 CA--C 1.575 1.938 0 N-CA-C 103.143 -2.91 . . . . 0.0 103.143 -179.359 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.29 -17.23 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.403 2.921 0 N-CA-C 117.996 2.591 . . . . 0.0 117.996 -151.428 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.568 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -81.76 -105.84 0.03 OUTLIER 'General case' 0 CA--C 1.589 2.448 1 C-N-CA 133.471 4.708 . . . . 0.0 106.694 179.219 . . . . . . . . 4 4 . 1 . 033 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 t 79.03 159.72 0.18 Allowed 'General case' 0 C--N 1.393 2.464 0 C-N-CA 125.13 1.372 . . . . 0.0 113.951 173.05 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -68.98 -39.07 79.62 Favored 'General case' 0 C--N 1.392 2.433 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.316 -179.92 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -77.36 -5.26 48.98 Favored 'General case' 0 CA--C 1.577 1.997 0 C-N-CA 127.773 2.429 . . . . 0.0 113.015 179.227 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 44.6 t30 65.34 74.1 0.39 Allowed 'General case' 0 C--N 1.397 2.66 0 CA-C-N 122.027 2.194 . . . . 0.0 106.779 173.746 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 tp -167.04 164.28 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.397 2.651 0 C-N-CA 118.06 -1.456 . . . . 0.0 113.422 -169.162 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.2 mp -100.98 100.78 11.04 Favored 'Isoleucine or valine' 0 C--N 1.39 2.365 0 N-CA-C 104.987 -2.227 . . . . 0.0 104.987 179.266 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.575 HH11 ' HG2' ' A' ' 34' ' ' ARG . 1.6 ttp85 -147.38 108.41 4.22 Favored 'General case' 0 C--N 1.386 2.179 0 N-CA-C 102.802 -3.036 . . . . 0.0 102.802 -171.145 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.467 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.7 OUTLIER -140.26 -170.09 2.9 Favored 'General case' 0 C--N 1.387 2.207 0 CA-C-N 112.732 -2.031 . . . . 0.0 114.261 -154.698 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 172.64 -164.04 36.14 Favored Glycine 1 C--N 1.4 4.099 1 C-N-CA 113.206 -4.331 . . . . 0.0 122.226 -175.094 . . . . . . . . 3 2 . 1 . 033 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.1 t -87.79 111.95 21.92 Favored 'General case' 0 C--N 1.39 2.337 0 C-N-CA 126.108 1.763 . . . . 0.0 108.853 -177.156 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.54 -93.45 0.09 OUTLIER Glycine 1 C--N 1.4 4.095 0 C-N-CA 116.12 -2.943 . . . . 0.0 107.29 173.758 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.362 43.0 t 82.0 -55.31 0.24 Allowed 'General case' 0 C--N 1.386 2.161 0 C-N-CA 124.963 1.305 . . . . 0.0 112.203 174.801 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -86.19 79.84 8.97 Favored 'General case' 0 C--N 1.388 2.252 0 N-CA-C 107.008 -1.478 . . . . 0.0 107.008 -167.896 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.7 t -114.42 99.11 50.66 Favored Pre-proline 0 C--N 1.381 1.954 0 N-CA-C 103.763 -2.68 . . . . 0.0 103.763 178.538 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -86.44 69.22 4.5 Favored 'Trans proline' 0 C--N 1.403 3.447 0 N-CA-C 106.521 -2.146 . . . . 0.0 106.521 179.884 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.464 HH11 ' HG2' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -146.6 130.01 16.75 Favored 'General case' 0 C--N 1.383 2.025 0 CA-C-O 122.068 0.937 . . . . 0.0 108.573 -179.603 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -87.33 -29.59 21.75 Favored Glycine 0 C--N 1.389 3.525 0 O-C-N 121.248 -0.907 . . . . 0.0 111.83 172.762 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -100.36 35.53 2.09 Favored 'General case' 0 C--N 1.384 2.094 0 C-N-CA 126.19 1.796 . . . . 0.0 110.925 -175.989 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -146.75 101.12 3.97 Favored Pre-proline 0 C--N 1.374 1.655 0 N-CA-C 101.331 -3.581 . . . . 0.0 101.331 177.102 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_exo -59.08 123.3 13.16 Favored 'Trans proline' 0 C--N 1.396 3.044 0 CA-C-O 122.492 0.955 . . . . 0.0 110.065 -174.484 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.64 167.71 28.68 Favored Glycine 0 C--N 1.387 3.399 0 CA-C-O 122.113 0.841 . . . . 0.0 114.115 -179.812 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -85.01 168.49 10.59 Favored 'Trans proline' 0 C--N 1.382 2.321 0 C-N-CA 122.821 2.347 . . . . 0.0 111.228 179.416 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -84.8 114.5 22.12 Favored 'General case' 0 CA--C 1.577 2.012 0 N-CA-C 101.742 -3.429 . . . . 0.0 101.742 177.077 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 17.7 m -112.33 156.81 21.83 Favored 'General case' 0 C--N 1.396 2.618 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 -165.916 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.5 t -129.88 159.31 36.99 Favored 'General case' 0 C--N 1.383 2.033 0 CA-C-N 113.322 -1.763 . . . . 0.0 110.418 176.442 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -128.23 46.08 2.65 Favored 'General case' 0 C--N 1.375 1.688 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.298 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.4 p -153.12 175.17 13.31 Favored 'General case' 0 C--N 1.385 2.133 0 CA-C-O 121.561 0.696 . . . . 0.0 111.395 179.172 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.463 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 16.1 t0 -74.08 109.84 7.9 Favored 'General case' 0 CA--C 1.582 2.209 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 -175.929 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.463 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 10.3 mptt 73.37 -53.09 0.7 Allowed 'General case' 0 C--N 1.395 2.586 0 C-N-CA 127.802 2.441 . . . . 0.0 114.304 173.337 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 56.43 51.95 10.68 Favored 'General case' 0 CA--C 1.581 2.163 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 -177.933 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.6 m120 63.79 79.21 0.26 Allowed 'General case' 0 C--N 1.392 2.451 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 177.344 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.505 ' OXT' ' NZ ' ' A' ' 24' ' ' LYS . 86.9 mt . . . . . 0 CA--C 1.599 2.859 0 C-N-CA 126.14 1.776 . . . . 0.0 112.692 170.51 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 1 N--CA 1.552 4.645 0 CA-C-O 117.888 -1.053 . . . . 0.0 108.91 . . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.402 HG12 ' HA ' ' A' ' 16' ' ' THR . 10.1 mt -93.95 144.11 10.26 Favored 'Isoleucine or valine' 0 C--N 1.397 2.67 0 CA-C-N 120.655 1.57 . . . . 0.0 110.773 -179.001 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.2 m -147.96 166.43 27.71 Favored 'General case' 0 C--N 1.388 2.28 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.907 167.607 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -75.14 165.95 24.41 Favored 'General case' 0 C--N 1.387 2.198 0 CA-C-O 122.035 0.921 . . . . 0.0 112.277 177.135 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -161.71 50.43 0.22 Allowed 'General case' 0 C--N 1.382 2.006 0 N-CA-C 104.219 -2.512 . . . . 0.0 104.219 168.504 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.51 ' C ' HD12 ' A' ' 7' ' ' LEU 2.194 4.4 m170 -89.46 -147.03 0.17 Allowed 'General case' 0 C--N 1.387 2.196 0 C-N-CA 124.972 1.309 . . . . 0.0 108.76 177.048 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.51 HD12 ' C ' ' A' ' 6' ' ' HIS 0.282 0.3 OUTLIER 62.66 -175.12 0.15 Allowed 'General case' 0 C--N 1.386 2.179 0 CA-C-O 122.359 1.076 . . . . 0.0 113.785 170.21 . . . . . . . . 4 4 . 1 . 034 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.51 -55.43 4.47 Favored Glycine 0 C--N 1.388 3.445 0 N-CA-C 109.516 -1.433 . . . . 0.0 109.516 -171.41 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.3 m -163.05 -43.79 0.03 OUTLIER 'General case' 0 C--N 1.378 1.83 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 -177.609 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.2 mmtt -107.16 129.6 24.09 Favored Pre-proline 0 C--N 1.388 2.271 0 C-N-CA 123.076 0.551 . . . . 0.0 111.22 -173.915 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -97.16 5.14 1.56 Allowed 'Trans proline' 0 CA--C 1.6 3.789 0 N-CA-C 119.883 2.993 . . . . 0.0 119.883 -176.366 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -91.8 -19.96 0.72 Allowed 'Trans proline' 0 C--N 1.406 3.557 1 N-CA-C 124.21 4.658 . . . . 0.0 124.21 -175.148 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.1 p -89.85 141.9 28.2 Favored 'General case' 0 C--N 1.392 2.423 0 CA-C-N 123.539 2.881 . . . . 0.0 116.197 -172.402 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.8 p -130.59 140.24 50.44 Favored 'General case' 0 C--N 1.38 1.904 0 CA-C-N 113.088 -1.869 . . . . 0.0 106.42 173.318 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -103.93 118.08 35.84 Favored 'General case' 0 C--N 1.381 1.943 0 CA-C-O 121.309 0.576 . . . . 0.0 109.747 -172.027 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.402 ' HA ' HG12 ' A' ' 2' ' ' ILE . 54.5 m -84.97 109.42 18.16 Favored 'General case' 0 C--N 1.388 2.273 0 N-CA-C 103.068 -2.938 . . . . 0.0 103.068 173.237 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.3 t -114.5 150.5 34.76 Favored 'General case' 0 C--N 1.394 2.539 0 CA-C-O 123.494 1.616 . . . . 0.0 113.364 -168.168 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -81.25 -3.36 52.17 Favored 'General case' 0 C--N 1.382 1.983 0 CA-C-N 112.995 -1.912 . . . . 0.0 112.595 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -100.47 137.16 39.26 Favored 'General case' 0 C--N 1.388 2.26 0 CA-C-O 123.917 1.817 . . . . 0.0 109.281 -178.313 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.145 24.0 m-20 -45.38 -44.19 11.69 Favored 'General case' 0 C--N 1.38 1.899 0 C-N-CA 128.332 2.653 . . . . 0.0 111.048 -176.052 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.7 t -129.08 147.47 50.94 Favored 'General case' 0 C--N 1.391 2.377 0 CA-C-O 123.611 1.672 . . . . 0.0 113.018 -174.738 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.266 26.1 p -136.08 155.84 49.6 Favored 'General case' 0 C--N 1.388 2.275 0 CA-C-N 114.409 -1.268 . . . . 0.0 112.81 179.81 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -132.67 155.79 48.14 Favored 'General case' 0 C--N 1.391 2.405 0 N-CA-C 116.693 2.109 . . . . 0.0 116.693 -159.078 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.21 124.33 45.51 Favored 'General case' 0 C--N 1.394 2.508 0 CA-C-N 113.619 -1.628 . . . . 0.0 108.394 178.241 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.551 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 20.3 t-20 -118.98 115.45 24.37 Favored 'General case' 0 CA--C 1.591 2.522 0 N-CA-C 102.555 -3.128 . . . . 0.0 102.555 -178.69 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -119.63 -26.49 2.39 Favored 'Isoleucine or valine' 0 C--N 1.402 2.876 0 N-CA-C 117.843 2.534 . . . . 0.0 117.843 -155.666 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.582 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -63.16 -104.6 0.0 OUTLIER 'General case' 0 CA--C 1.599 2.837 1 C-N-CA 132.226 4.211 . . . . 0.0 106.866 168.221 . . . . . . . . 4 4 . 1 . 034 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.4 t 76.54 158.55 0.2 Allowed 'General case' 0 C--N 1.393 2.479 0 C-N-CA 126.31 1.844 . . . . 0.0 111.103 178.629 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -62.86 -44.12 96.97 Favored 'General case' 0 C--N 1.388 2.252 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.035 173.582 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -73.93 -2.06 22.37 Favored 'General case' 0 CA--C 1.581 2.172 0 CA-C-O 116.152 -1.88 . . . . 0.0 114.357 -178.385 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.0 t30 61.86 71.23 0.55 Allowed 'General case' 0 C--N 1.397 2.66 0 CA-C-N 124.014 3.097 . . . . 0.0 105.772 177.009 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.1 tp -166.92 158.08 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.391 2.373 0 C-N-CA 117.584 -1.646 . . . . 0.0 111.786 -173.129 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 52.0 mt -92.63 90.94 3.21 Favored 'Isoleucine or valine' 0 C--N 1.388 2.254 0 N-CA-C 103.644 -2.724 . . . . 0.0 103.644 176.902 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.472 ' HG3' HH11 ' A' ' 34' ' ' ARG . 0.0 OUTLIER -141.44 124.86 16.61 Favored 'General case' 0 C--N 1.384 2.07 0 N-CA-C 102.657 -3.09 . . . . 0.0 102.657 -176.11 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.416 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -161.29 -164.8 1.2 Allowed 'General case' 0 C--N 1.391 2.393 0 CA-C-N 112.886 -1.961 . . . . 0.0 112.442 -149.4 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -166.37 -167.16 26.61 Favored Glycine 0 C--N 1.391 3.601 1 C-N-CA 112.437 -4.697 . . . . 0.0 119.194 -170.251 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.1 t -102.72 116.73 33.15 Favored 'General case' 0 C--N 1.379 1.885 0 CA-C-N 112.06 -2.07 . . . . 0.0 108.746 -173.947 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.79 -81.9 0.05 OUTLIER Glycine 0 C--N 1.397 3.937 0 C-N-CA 115.698 -3.144 . . . . 0.0 106.36 178.326 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.37 41.9 t 82.36 -53.85 0.22 Allowed 'General case' 0 C--N 1.384 2.069 0 CA-C-N 113.275 -1.462 . . . . 0.0 108.934 -178.949 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -90.21 63.27 5.72 Favored 'General case' 0 C--N 1.38 1.908 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 -168.714 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.4 t -100.27 141.09 22.06 Favored Pre-proline 0 C--N 1.392 2.428 0 C-N-CA 126.245 1.818 . . . . 0.0 109.224 -179.268 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -52.94 134.57 55.82 Favored 'Trans proline' 0 C--N 1.397 3.108 0 CA-C-O 123.554 1.398 . . . . 0.0 108.626 172.549 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -151.75 149.04 28.6 Favored 'General case' 0 C--N 1.383 2.026 0 CA-C-N 114.624 -1.171 . . . . 0.0 109.221 -179.268 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 153.65 -94.71 0.15 Allowed Glycine 0 C--N 1.389 3.476 0 N-CA-C 104.406 -3.477 . . . . 0.0 104.406 -173.004 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -91.89 27.07 2.2 Favored 'General case' 0 C--N 1.391 2.377 0 CA-C-O 122.206 1.003 . . . . 0.0 109.027 170.264 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 43.0 mtt -138.59 97.3 9.28 Favored Pre-proline 0 C--N 1.378 1.848 0 N-CA-C 103.996 -2.594 . . . . 0.0 103.996 -179.423 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -68.37 117.81 5.21 Favored 'Trans proline' 0 C--N 1.394 2.943 0 N-CA-C 109.18 -1.123 . . . . 0.0 109.18 179.322 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -104.12 176.16 23.44 Favored Glycine 0 C--N 1.393 3.739 0 O-C-N 120.674 -1.266 . . . . 0.0 114.666 179.825 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.451 ' HG3' HD21 ' A' ' 25' ' ' ASN . 0.6 OUTLIER -62.19 169.84 7.22 Favored 'Trans proline' 0 C--N 1.392 2.83 0 C-N-CA 122.545 2.163 . . . . 0.0 115.331 174.451 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -103.61 137.16 42.06 Favored 'General case' 0 C--N 1.384 2.102 0 CA-C-N 114.443 -1.253 . . . . 0.0 109.298 179.935 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.2 m -119.36 157.14 28.76 Favored 'General case' 0 C--N 1.395 2.573 0 N-CA-C 117.849 2.537 . . . . 0.0 117.849 -165.065 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.8 t -128.11 151.12 49.59 Favored 'General case' 0 C--N 1.384 2.07 0 CA-C-N 113.139 -1.846 . . . . 0.0 108.189 170.692 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.17 34.49 5.2 Favored 'General case' 0 C--N 1.379 1.866 0 O-C-N 120.753 -1.217 . . . . 0.0 111.407 -176.393 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.2 t -137.7 -178.05 5.07 Favored 'General case' 0 C--N 1.38 1.901 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.277 178.17 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.64 102.46 8.94 Favored 'General case' 0 C--N 1.382 1.989 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 -169.416 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? 73.52 -54.98 0.68 Allowed 'General case' 0 C--N 1.394 2.502 0 C-N-CA 126.396 1.878 . . . . 0.0 110.971 -179.588 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.25 75.1 m 78.55 -50.44 0.47 Allowed 'General case' 0 C--N 1.381 1.956 0 C-N-CA 129.043 2.937 . . . . 0.0 108.111 -176.032 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -164.2 -82.22 0.03 OUTLIER 'General case' 0 C--N 1.387 2.198 0 N-CA-C 104.282 -2.488 . . . . 0.0 104.282 176.571 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.1 tp . . . . . 0 CA--C 1.575 1.908 1 N-CA-C 98.95 -4.463 . . . . 0.0 98.95 177.284 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.529 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.536 3.854 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 . . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 27.9 mt -87.02 119.58 35.03 Favored 'Isoleucine or valine' 0 C--N 1.395 2.544 0 CA-C-O 122.253 1.025 . . . . 0.0 109.696 -169.226 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.5 m -138.96 136.8 35.8 Favored 'General case' 0 C--N 1.388 2.249 0 N-CA-C 106.4 -1.704 . . . . 0.0 106.4 175.837 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -76.67 159.57 30.11 Favored 'General case' 0 C--N 1.389 2.322 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -163.099 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 51.1 p-10 -147.18 37.3 0.94 Allowed 'General case' 0 C--N 1.393 2.465 0 C-N-CA 118.704 -1.199 . . . . 0.0 109.53 179.786 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.221 6.8 m170 -78.42 -143.69 0.03 OUTLIER 'General case' 0 CA--C 1.585 2.321 0 C-N-CA 125.03 1.332 . . . . 0.0 109.758 -179.329 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.323 5.4 mp 68.17 179.96 0.23 Allowed 'General case' 0 C--N 1.393 2.499 0 O-C-N 120.321 -1.487 . . . . 0.0 113.902 173.192 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.97 -63.94 3.97 Favored Glycine 0 C--N 1.39 3.552 0 N-CA-C 108.741 -1.744 . . . . 0.0 108.741 -169.705 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.6 m -161.43 -45.88 0.04 OUTLIER 'General case' 0 C--N 1.379 1.874 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 -179.58 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -96.03 124.91 50.35 Favored Pre-proline 0 C--N 1.385 2.116 0 CA-C-O 118.555 -0.736 . . . . 0.0 109.046 -177.336 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -101.86 -4.13 0.36 Allowed 'Trans proline' 0 C--N 1.409 3.745 0 CA-C-O 114.922 -2.199 . . . . 0.0 117.502 -179.271 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -73.86 -17.82 22.35 Favored 'Trans proline' 0 C--N 1.401 3.293 1 N-CA-C 123.767 4.487 . . . . 0.0 123.767 -176.619 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.1 p -97.9 154.48 17.62 Favored 'General case' 0 C--N 1.394 2.508 0 CA-C-N 124.691 3.405 . . . . 0.0 115.64 -174.206 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.9 p -135.16 148.59 49.76 Favored 'General case' 0 C--N 1.376 1.73 0 CA-C-N 111.728 -2.487 . . . . 0.0 109.319 -179.536 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -102.27 103.2 13.67 Favored 'General case' 0 C--N 1.38 1.929 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 -170.542 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 36.8 m -86.89 105.62 17.19 Favored 'General case' 0 C--N 1.388 2.254 0 N-CA-C 102.979 -2.971 . . . . 0.0 102.979 179.574 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.3 t -115.32 154.87 28.35 Favored 'General case' 0 C--N 1.396 2.614 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -164.287 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -95.67 -29.89 14.06 Favored 'General case' 0 C--N 1.382 1.98 0 CA-C-N 112.873 -1.967 . . . . 0.0 111.247 177.118 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -74.67 111.57 10.0 Favored 'General case' 0 CA--C 1.583 2.232 0 N-CA-C 103.694 -2.706 . . . . 0.0 103.694 175.353 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.092 76.8 m-20 -54.43 -8.58 0.23 Allowed 'General case' 0 C--N 1.389 2.314 0 C-N-CA 128.289 2.635 . . . . 0.0 116.658 -174.919 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.8 t -118.36 133.48 55.84 Favored 'General case' 0 C--N 1.381 1.941 0 CA-C-N 120.401 1.455 . . . . 0.0 107.929 -179.451 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.8 p -133.55 146.66 51.24 Favored 'General case' 0 C--N 1.381 1.949 0 CA-C-O 123.775 1.75 . . . . 0.0 109.886 178.373 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -130.77 143.85 51.03 Favored 'General case' 0 C--N 1.385 2.145 0 CA-C-N 113.058 -1.883 . . . . 0.0 114.805 -155.933 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.35 116.98 29.45 Favored 'General case' 0 C--N 1.388 2.275 0 N-CA-C 105.812 -1.921 . . . . 0.0 105.812 178.318 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.585 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 5.5 t30 -119.81 123.24 43.2 Favored 'General case' 0 CA--C 1.587 2.384 0 N-CA-C 104.637 -2.357 . . . . 0.0 104.637 -178.309 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 pp -132.96 4.53 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.402 2.848 0 N-CA-C 118.233 2.679 . . . . 0.0 118.233 -148.165 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.585 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -112.84 -104.18 0.4 Allowed 'General case' 0 CA--C 1.576 1.967 1 C-N-CA 132.74 4.416 . . . . 0.0 103.818 -172.61 . . . . . . . . 4 4 . 1 . 035 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.7 t 73.15 161.48 0.25 Allowed 'General case' 0 C--N 1.39 2.362 0 CA-C-O 122.074 0.94 . . . . 0.0 110.589 179.888 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -62.06 -28.5 69.64 Favored 'General case' 0 C--N 1.387 2.197 0 O-C-N 121.607 -0.683 . . . . 0.0 111.727 178.727 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -93.59 10.63 31.84 Favored 'General case' 0 CA--C 1.578 2.046 0 C-N-CA 127.826 2.45 . . . . 0.0 114.226 -176.047 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.5 t30 49.35 64.95 1.54 Allowed 'General case' 0 C--N 1.394 2.526 0 CA-C-N 121.666 2.03 . . . . 0.0 106.266 176.377 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 tp -146.81 171.78 3.48 Favored 'Isoleucine or valine' 0 C--N 1.386 2.159 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.739 -169.076 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . 0.252 16.8 mt -111.08 98.43 7.04 Favored 'Isoleucine or valine' 0 C--N 1.389 2.297 0 N-CA-C 105.465 -2.05 . . . . 0.0 105.465 174.713 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.76 108.44 4.67 Favored 'General case' 0 C--N 1.381 1.956 0 N-CA-C 100.611 -3.848 . . . . 0.0 100.611 -174.951 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -141.51 -175.84 4.51 Favored 'General case' 0 C--N 1.374 1.66 0 CA-C-N 109.548 -3.478 . . . . 0.0 111.727 -153.704 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -161.5 -159.19 9.9 Favored Glycine 0 C--N 1.391 3.589 0 C-N-CA 113.965 -3.969 . . . . 0.0 117.147 -168.661 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.8 t -130.41 117.95 20.47 Favored 'General case' 0 CA--C 1.575 1.929 0 CA-C-O 123.075 1.417 . . . . 0.0 109.156 -179.885 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.33 -79.96 0.05 OUTLIER Glycine 0 C--N 1.388 3.442 1 N-CA-C 102.025 -4.43 . . . . 0.0 102.025 175.058 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.482 42.0 t 65.55 -149.79 0.24 Allowed 'General case' 0 C--N 1.389 2.286 0 N-CA-C 116.374 1.991 . . . . 0.0 116.374 167.834 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 72.53 70.96 0.14 Allowed 'General case' 0 C--N 1.389 2.283 0 CA-C-N 113.553 -1.658 . . . . 0.0 106.525 -178.918 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 70.4 p -112.71 89.83 13.9 Favored Pre-proline 0 C--N 1.402 2.868 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.399 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -91.85 75.08 0.58 Allowed 'Trans proline' 0 C--N 1.414 3.992 0 N-CA-C 108.305 -1.46 . . . . 0.0 108.305 176.228 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.5 100.51 0.81 Allowed 'General case' 0 C--N 1.387 2.234 0 N-CA-C 103.5 -2.778 . . . . 0.0 103.5 -179.792 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.27 -11.32 84.23 Favored Glycine 0 C--N 1.394 3.772 0 CA-C-O 117.859 -1.523 . . . . 0.0 116.03 -174.035 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -105.12 29.82 6.07 Favored 'General case' 0 C--N 1.378 1.82 0 CA-C-N 120.437 2.119 . . . . 0.0 110.723 179.165 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.1 ttt -113.32 137.11 21.92 Favored Pre-proline 0 C--N 1.38 1.908 0 C-N-CA 125.998 1.719 . . . . 0.0 108.587 177.306 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -80.97 58.54 7.07 Favored 'Trans proline' 0 C--N 1.406 3.603 0 N-CA-C 110.43 -0.642 . . . . 0.0 110.43 173.797 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.93 155.86 28.06 Favored Glycine 0 C--N 1.387 3.396 0 C-N-CA 124.709 1.147 . . . . 0.0 110.27 176.881 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -55.46 161.33 7.58 Favored 'Trans proline' 0 C--N 1.393 2.899 0 N-CA-C 108.155 -1.517 . . . . 0.0 108.155 165.922 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -91.77 115.47 28.08 Favored 'General case' 0 C--N 1.379 1.887 0 N-CA-C 104.623 -2.362 . . . . 0.0 104.623 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.7 m -118.06 118.97 33.36 Favored 'General case' 0 C--N 1.392 2.429 0 CA-C-O 123.3 1.524 . . . . 0.0 109.553 -166.936 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 36.3 t -97.1 174.98 6.47 Favored 'General case' 0 C--N 1.379 1.89 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.214 173.498 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.27 42.52 2.73 Favored 'General case' 0 C--N 1.385 2.142 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -169.757 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.1 t -172.73 106.35 0.16 Allowed 'General case' 0 C--N 1.388 2.244 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 174.543 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.51 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 8.1 t0 64.84 -167.54 0.22 Allowed 'General case' 0 C--N 1.389 2.294 0 CA-C-O 122.655 1.217 . . . . 0.0 110.595 179.276 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.51 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.271 0.0 OUTLIER -55.62 -40.84 72.65 Favored 'General case' 0 C--N 1.385 2.149 0 CA-C-O 116.316 -1.802 . . . . 0.0 111.941 -177.82 . . . . . . . . 4 4 . 1 . 035 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 52.4 t 45.48 67.73 0.68 Allowed 'General case' 0 C--N 1.384 2.084 0 CA-C-N 121.084 1.766 . . . . 0.0 107.49 174.759 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.9 m120 86.45 65.92 0.01 OUTLIER 'General case' 0 C--N 1.392 2.435 0 C-N-CA 125.439 1.496 . . . . 0.0 110.245 169.116 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.6 tp . . . . . 0 CA--C 1.587 2.388 0 C-N-CA 126.104 1.762 . . . . 0.0 107.74 175.759 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.448 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.531 3.614 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 . . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.5 mp -83.85 118.11 30.67 Favored 'Isoleucine or valine' 0 C--N 1.392 2.446 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -176.336 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.2 p -143.13 148.09 36.03 Favored 'General case' 0 C--N 1.384 2.072 0 CA-C-O 122.799 1.285 . . . . 0.0 109.166 168.514 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.9 m-30 -87.43 177.59 7.06 Favored 'General case' 0 C--N 1.389 2.317 0 N-CA-C 115.804 1.779 . . . . 0.0 115.804 -160.506 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 35.4 p-10 -149.08 44.97 0.99 Allowed 'General case' 0 C--N 1.387 2.233 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 172.784 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.184 12.1 m170 -81.29 -162.51 0.51 Allowed 'General case' 0 C--N 1.389 2.308 0 C-N-CA 127.795 2.438 . . . . 0.0 114.514 -175.911 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.352 3.1 mp 69.59 -171.28 0.17 Allowed 'General case' 0 C--N 1.388 2.256 0 C-N-CA 124.979 1.312 . . . . 0.0 113.284 174.927 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.89 -53.47 4.25 Favored Glycine 0 C--N 1.386 3.312 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 -170.575 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.0 m -169.75 -49.16 0.02 OUTLIER 'General case' 0 C--N 1.382 1.982 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 -171.768 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -100.26 130.52 25.76 Favored Pre-proline 0 CA--C 1.579 2.077 0 CA-C-O 118.476 -0.773 . . . . 0.0 110.18 -177.018 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -97.65 -9.39 0.65 Allowed 'Trans proline' 0 C--N 1.412 3.918 0 N-CA-C 118.438 2.438 . . . . 0.0 118.438 -179.359 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -86.67 -16.82 3.56 Favored 'Trans proline' 0 C--N 1.401 3.34 1 N-CA-C 125.015 4.967 . . . . 0.0 125.015 -174.442 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.7 p -79.42 150.43 31.31 Favored 'General case' 0 C--N 1.395 2.55 0 CA-C-N 124.895 3.498 . . . . 0.0 114.913 -173.181 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 61.2 p -142.27 159.23 42.64 Favored 'General case' 0 C--N 1.383 2.04 0 CA-C-N 111.552 -2.567 . . . . 0.0 111.298 -170.47 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -129.42 103.31 6.83 Favored 'General case' 0 C--N 1.386 2.162 0 CA-C-O 123.031 1.396 . . . . 0.0 107.353 -176.102 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 79.2 m -76.43 106.29 7.98 Favored 'General case' 0 C--N 1.392 2.445 0 N-CA-C 102.208 -3.256 . . . . 0.0 102.208 173.481 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.8 t -116.23 153.32 32.08 Favored 'General case' 0 C--N 1.385 2.144 0 O-C-N 121.493 -0.754 . . . . 0.0 111.65 -169.651 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -105.46 26.5 9.38 Favored 'General case' 0 C--N 1.383 2.035 0 C-N-CA 124.47 1.108 . . . . 0.0 111.048 176.338 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.434 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 45.7 mt-10 -110.75 114.92 28.66 Favored 'General case' 0 C--N 1.383 2.023 0 N-CA-C 101.296 -3.594 . . . . 0.0 101.296 171.259 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.448 ' OD2' ' N ' ' A' ' 1' ' ' ARG 2.175 72.6 m-20 -57.32 1.3 0.04 OUTLIER 'General case' 0 CA--C 1.584 2.281 0 N-CA-C 116.645 2.091 . . . . 0.0 116.645 -171.453 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.2 m -151.54 155.95 39.53 Favored 'General case' 0 C--N 1.381 1.969 0 CA-C-N 121.094 1.77 . . . . 0.0 108.955 -178.734 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.8 p -149.09 153.29 37.57 Favored 'General case' 0 C--N 1.382 2.018 0 C-N-CA 117.611 -1.636 . . . . 0.0 112.526 -177.569 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -112.67 144.07 42.81 Favored 'General case' 0 C--N 1.384 2.078 0 CA-C-O 123.33 1.538 . . . . 0.0 112.612 -162.179 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.424 ' NZ ' ' O ' ' A' ' 59' ' ' LEU . 14.8 mtpp -100.42 115.69 30.63 Favored 'General case' 0 C--N 1.383 2.046 0 N-CA-C 104.484 -2.413 . . . . 0.0 104.484 177.141 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.551 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 22.5 t-20 -115.34 123.98 50.11 Favored 'General case' 0 CA--C 1.578 2.039 0 N-CA-C 102.445 -3.169 . . . . 0.0 102.445 -176.291 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -135.43 -6.33 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.405 3.003 0 N-CA-C 117.94 2.57 . . . . 0.0 117.94 -147.064 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.551 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -87.89 -105.46 0.07 Allowed 'General case' 0 CA--C 1.578 2.032 1 C-N-CA 131.991 4.116 . . . . 0.0 106.237 -177.793 . . . . . . . . 4 4 . 1 . 036 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.0 t 75.18 160.42 0.23 Allowed 'General case' 0 C--N 1.391 2.385 0 C-N-CA 123.952 0.901 . . . . 0.0 111.627 178.874 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -67.13 -35.93 80.8 Favored 'General case' 0 C--N 1.389 2.313 0 O-C-N 121.437 -0.789 . . . . 0.0 112.168 -179.247 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -83.02 -9.53 59.22 Favored 'General case' 0 CA--C 1.568 1.658 0 C-N-CA 129.093 2.957 . . . . 0.0 113.002 -179.072 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 69.97 79.47 0.19 Allowed 'General case' 0 C--N 1.393 2.491 0 CA-C-N 122.28 2.309 . . . . 0.0 105.409 179.259 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 tp -159.35 157.23 3.21 Favored 'Isoleucine or valine' 0 C--N 1.391 2.396 0 C-N-CA 118.308 -1.357 . . . . 0.0 112.138 -173.492 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.2 mt -92.79 112.22 25.77 Favored 'Isoleucine or valine' 0 C--N 1.389 2.285 0 N-CA-C 104.372 -2.455 . . . . 0.0 104.372 170.741 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.61 115.49 3.98 Favored 'General case' 0 C--N 1.382 1.993 0 N-CA-C 100.848 -3.76 . . . . 0.0 100.848 -177.46 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.2 -168.48 2.63 Favored 'General case' 0 C--N 1.388 2.282 0 CA-C-N 113.565 -1.652 . . . . 0.0 113.304 -153.772 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -165.75 -171.25 31.72 Favored Glycine 0 C--N 1.394 3.795 1 C-N-CA 113.417 -4.23 . . . . 0.0 119.335 -176.507 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.434 ' SG ' ' HB2' ' A' ' 19' ' ' GLU . 50.9 t -83.92 116.53 22.83 Favored 'General case' 0 C--N 1.384 2.102 0 CA-C-N 113.241 -1.479 . . . . 0.0 108.649 -174.872 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.25 -95.73 0.1 Allowed Glycine 1 C--N 1.4 4.136 0 C-N-CA 116.832 -2.604 . . . . 0.0 106.865 179.874 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.376 42.7 t 83.61 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.386 2.181 0 CA-C-O 122.236 1.017 . . . . 0.0 109.019 178.448 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -60.34 102.31 0.17 Allowed 'General case' 0 CA--C 1.587 2.399 0 N-CA-C 103.186 -2.894 . . . . 0.0 103.186 179.382 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 69.5 p -107.67 109.17 62.3 Favored Pre-proline 0 C--N 1.398 2.695 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 -171.713 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -91.03 54.78 1.01 Allowed 'Trans proline' 0 C--N 1.397 3.12 0 N-CA-C 107.428 -1.797 . . . . 0.0 107.428 -177.768 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.407 HH11 ' CG ' ' A' ' 43' ' ' ARG . 2.3 ttt-85 -161.99 94.93 0.95 Allowed 'General case' 0 C--N 1.386 2.177 0 N-CA-C 105.092 -2.188 . . . . 0.0 105.092 -177.793 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -83.71 6.82 72.12 Favored Glycine 0 C--N 1.391 3.637 0 CA-C-O 117.204 -1.887 . . . . 0.0 115.384 -178.936 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -107.29 30.57 6.11 Favored 'General case' 0 C--N 1.383 2.03 0 CA-C-N 121.231 2.516 . . . . 0.0 110.498 176.02 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.4 tpt -157.37 120.2 2.15 Favored Pre-proline 0 C--N 1.378 1.846 0 N-CA-C 104.654 -2.35 . . . . 0.0 104.654 177.526 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.92 112.98 3.67 Favored 'Trans proline' 0 C--N 1.394 2.972 0 N-CA-C 103.877 -3.163 . . . . 0.0 103.877 177.391 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.19 160.41 50.87 Favored Glycine 0 C--N 1.391 3.606 0 O-C-N 120.46 -1.4 . . . . 0.0 114.04 -177.96 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -50.04 146.41 17.31 Favored 'Trans proline' 0 C--N 1.39 2.763 0 N-CA-C 107.223 -1.876 . . . . 0.0 107.223 167.69 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -75.78 155.09 35.81 Favored 'General case' 0 C--N 1.393 2.457 0 CA-C-N 114.52 -1.218 . . . . 0.0 111.353 -178.186 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 2.8 m -118.76 161.57 19.91 Favored 'General case' 0 C--N 1.389 2.289 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 -166.606 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.8 t -141.9 140.17 32.77 Favored 'General case' 0 C--N 1.379 1.886 0 CA-C-N 112.283 -2.235 . . . . 0.0 107.537 174.686 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -130.26 64.11 1.54 Allowed 'General case' 0 C--N 1.375 1.713 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 -176.654 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.0 m -160.0 76.12 0.62 Allowed 'General case' 0 C--N 1.386 2.169 0 N-CA-C 104.901 -2.259 . . . . 0.0 104.901 -175.969 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.526 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 21.9 t0 58.38 -148.74 0.47 Allowed 'General case' 0 CA--C 1.589 2.444 0 CA-C-O 123.697 1.713 . . . . 0.0 107.926 177.874 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.526 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -60.46 -30.32 69.59 Favored 'General case' 0 C--N 1.382 1.989 0 CA-C-N 114.263 -1.335 . . . . 0.0 111.61 179.876 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.4 t 51.37 59.29 4.7 Favored 'General case' 0 C--N 1.387 2.221 0 CA-C-N 121.08 1.764 . . . . 0.0 107.26 177.479 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.6 m120 52.17 71.21 0.48 Allowed 'General case' 0 C--N 1.388 2.247 0 C-N-CA 127.325 2.25 . . . . 0.0 108.785 170.802 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.424 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 18.3 mt . . . . . 0 CA--C 1.587 2.368 0 C-N-CA 129.527 3.131 . . . . 0.0 108.173 173.96 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.467 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 1 N--CA 1.543 4.203 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 . . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -92.55 131.04 40.72 Favored 'Isoleucine or valine' 0 C--N 1.39 2.335 0 CA-C-N 119.379 0.99 . . . . 0.0 109.851 -174.579 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.0 m -136.9 158.17 45.07 Favored 'General case' 0 C--N 1.392 2.421 0 CA-C-O 121.858 0.837 . . . . 0.0 109.121 164.29 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -80.08 161.88 25.1 Favored 'General case' 0 C--N 1.382 2.021 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 -171.176 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -144.74 58.68 1.31 Allowed 'General case' 0 C--N 1.389 2.297 0 N-CA-C 103.215 -2.883 . . . . 0.0 103.215 164.129 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.145 14.5 m170 -108.87 -170.95 1.75 Allowed 'General case' 0 C--N 1.386 2.19 0 C-N-CA 128.458 2.703 . . . . 0.0 113.276 -174.789 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.284 14.9 mt 72.2 -166.62 0.13 Allowed 'General case' 0 C--N 1.38 1.907 0 CA-C-O 123.009 1.385 . . . . 0.0 113.123 174.129 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.33 46.4 93.0 Favored Glycine 0 C--N 1.38 2.983 0 N-CA-C 109.154 -1.578 . . . . 0.0 109.154 -171.978 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.7 m 109.56 -40.33 0.01 OUTLIER 'General case' 0 C--N 1.39 2.344 1 C-N-CA 131.872 4.069 . . . . 0.0 110.835 173.871 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -121.3 127.15 26.27 Favored Pre-proline 0 CA--C 1.584 2.272 0 CA-C-N 118.746 0.703 . . . . 0.0 112.249 -170.911 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -96.8 1.06 1.82 Allowed 'Trans proline' 0 C--N 1.407 3.612 0 N-CA-C 118.811 2.581 . . . . 0.0 118.811 -179.385 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -73.37 -17.62 23.85 Favored 'Trans proline' 0 C--N 1.403 3.437 1 N-CA-C 124.513 4.774 . . . . 0.0 124.513 -175.455 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.5 p -100.18 147.46 25.68 Favored 'General case' 0 C--N 1.396 2.605 0 CA-C-N 125.585 3.811 . . . . 0.0 116.136 -176.689 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 41.2 p -138.37 152.15 48.16 Favored 'General case' 0 C--N 1.383 2.032 0 CA-C-N 112.111 -2.313 . . . . 0.0 110.251 176.336 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -109.56 93.88 4.74 Favored 'General case' 0 C--N 1.381 1.94 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 -176.51 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.2 m -68.58 114.41 6.95 Favored 'General case' 0 C--N 1.398 2.682 0 N-CA-C 102.786 -3.042 . . . . 0.0 102.786 169.936 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -118.9 150.79 39.29 Favored 'General case' 0 C--N 1.394 2.542 0 CA-C-O 123.723 1.725 . . . . 0.0 114.884 -166.03 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -94.5 -11.05 30.4 Favored 'General case' 0 CA--C 1.578 2.032 0 CA-C-N 111.757 -2.474 . . . . 0.0 110.997 176.596 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -94.5 127.47 40.44 Favored 'General case' 0 C--N 1.397 2.634 0 N-CA-C 106.292 -1.744 . . . . 0.0 106.292 174.84 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.467 ' OD2' ' N ' ' A' ' 1' ' ' ARG 2.15 73.4 m-20 -62.5 -6.22 3.22 Favored 'General case' 0 C--N 1.389 2.295 0 C-N-CA 129.431 3.092 . . . . 0.0 118.332 -169.712 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.4 m -150.44 152.15 33.85 Favored 'General case' 0 C--N 1.375 1.697 0 CA-C-O 123.258 1.504 . . . . 0.0 108.126 -178.157 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.0 p -136.2 154.24 51.0 Favored 'General case' 0 C--N 1.378 1.81 0 CA-C-N 113.671 -1.604 . . . . 0.0 112.218 -178.057 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -114.13 122.02 45.57 Favored 'General case' 0 C--N 1.38 1.918 0 CA-C-N 113.682 -1.599 . . . . 0.0 108.895 -167.2 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -80.79 128.04 33.2 Favored 'General case' 0 C--N 1.397 2.67 0 CA-C-O 124.481 2.086 . . . . 0.0 105.844 172.987 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.454 ' HA ' ' HE1' ' A' ' 27' ' ' TRP . 51.2 t30 -115.89 102.63 9.85 Favored 'General case' 0 CA--C 1.574 1.889 1 N-CA-C 97.193 -5.114 . . . . 0.0 97.193 -179.149 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -111.63 21.75 5.62 Favored 'Isoleucine or valine' 0 C--N 1.388 2.252 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 -159.188 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.503 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -140.7 -88.48 0.17 Allowed 'General case' 0 CA--C 1.568 1.664 0 C-N-CA 131.416 3.886 . . . . 0.0 102.996 -167.678 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.274 11.4 t 79.35 -100.24 0.02 OUTLIER 'General case' 0 C--N 1.387 2.216 0 C-N-CA 126.902 2.081 . . . . 0.0 106.313 173.134 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -153.77 48.59 0.65 Allowed 'General case' 0 C--N 1.393 2.471 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 172.637 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -172.41 -34.07 0.01 OUTLIER 'General case' 0 C--N 1.394 2.534 0 C-N-CA 118.105 -1.438 . . . . 0.0 112.157 -167.007 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 93.59 70.25 0.0 OUTLIER 'General case' 0 C--N 1.386 2.162 0 C-N-CA 127.306 2.243 . . . . 0.0 105.066 -178.438 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 tp -155.56 161.25 2.1 Favored 'Isoleucine or valine' 0 C--N 1.388 2.261 0 C-N-CA 120.356 -0.538 . . . . 0.0 111.18 -173.382 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 25.6 mm -89.23 102.94 13.54 Favored 'Isoleucine or valine' 0 C--N 1.393 2.491 0 N-CA-C 105.375 -2.083 . . . . 0.0 105.375 171.122 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.02 112.9 5.74 Favored 'General case' 0 C--N 1.385 2.117 0 N-CA-C 102.578 -3.119 . . . . 0.0 102.578 178.835 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.36 -175.41 5.2 Favored 'General case' 0 C--N 1.398 2.711 0 C-N-CA 116.766 -1.973 . . . . 0.0 116.25 -154.594 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -124.79 167.2 17.18 Favored Glycine 1 C--N 1.399 4.037 0 N-CA-C 118.679 2.232 . . . . 0.0 118.679 -168.448 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.2 t -110.32 110.6 21.46 Favored 'General case' 0 C--N 1.386 2.178 0 N-CA-C 105.962 -1.866 . . . . 0.0 105.962 176.729 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.56 -72.5 0.03 OUTLIER Glycine 0 C--N 1.392 3.684 0 N-CA-C 105.049 -3.22 . . . . 0.0 105.049 178.201 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.531 ' SG ' ' N ' ' A' ' 40' ' ' PHE 2.394 43.0 t 77.15 -166.35 0.05 Allowed 'General case' 0 C--N 1.387 2.203 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 173.821 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.531 ' N ' ' SG ' ' A' ' 39' ' ' CYS . 9.0 m-85 58.77 46.02 14.78 Favored 'General case' 0 C--N 1.38 1.915 0 CA-C-N 112.822 -1.99 . . . . 0.0 109.307 174.184 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.9 t -114.97 96.36 44.67 Favored Pre-proline 0 C--N 1.395 2.545 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 179.497 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -95.44 70.23 0.21 Allowed 'Trans proline' 0 C--N 1.398 3.158 0 N-CA-C 102.902 -3.538 . . . . 0.0 102.902 174.84 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.7 ttt85 -93.7 134.23 36.24 Favored 'General case' 0 C--N 1.387 2.234 0 CA-C-O 122.644 1.211 . . . . 0.0 110.534 -178.279 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -102.17 -156.28 25.97 Favored Glycine 0 C--N 1.391 3.623 0 C-N-CA 124.233 0.92 . . . . 0.0 112.295 171.97 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.304 5.2 p-10 55.4 47.48 21.13 Favored 'General case' 0 C--N 1.385 2.129 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 177.42 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.9 ttt 82.26 109.78 0.03 OUTLIER Pre-proline 0 C--N 1.393 2.496 0 C-N-CA 127.652 2.381 . . . . 0.0 105.124 -170.663 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -61.47 172.04 3.82 Favored 'Trans proline' 0 C--N 1.402 3.348 0 N-CA-C 120.905 3.386 . . . . 0.0 120.905 -174.026 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.93 175.16 54.88 Favored Glycine 0 C--N 1.391 3.632 0 CA-C-N 113.742 -1.572 . . . . 0.0 114.532 178.482 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -53.02 141.33 57.38 Favored 'Trans proline' 0 C--N 1.402 3.392 0 N-CA-C 104.183 -3.045 . . . . 0.0 104.183 166.27 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -76.97 154.27 33.73 Favored 'General case' 0 C--N 1.385 2.115 0 CA-C-N 114.237 -1.347 . . . . 0.0 111.921 -177.45 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 40.0 m -125.38 142.51 51.46 Favored 'General case' 0 C--N 1.388 2.279 0 CA-C-O 124.172 1.939 . . . . 0.0 114.01 -171.155 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 42.0 t -120.06 161.01 21.68 Favored 'General case' 0 C--N 1.378 1.831 0 CA-C-N 112.54 -2.118 . . . . 0.0 110.197 176.661 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -138.06 55.07 1.78 Allowed 'General case' 0 C--N 1.378 1.805 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.229 -176.237 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 65.4 p -139.8 172.12 13.23 Favored 'General case' 0 C--N 1.384 2.098 0 C-N-CA 122.914 0.486 . . . . 0.0 111.224 176.053 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.456 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 30.3 t0 -68.93 124.41 23.65 Favored 'General case' 0 C--N 1.394 2.502 0 N-CA-C 105.686 -1.968 . . . . 0.0 105.686 174.816 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.456 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 38.9 mmtm 76.09 -63.67 0.38 Allowed 'General case' 0 C--N 1.39 2.336 0 C-N-CA 126.468 1.907 . . . . 0.0 112.833 172.328 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 56.6 m 79.42 27.22 0.38 Allowed 'General case' 0 CA--C 1.581 2.139 0 C-N-CA 126.688 1.995 . . . . 0.0 110.813 -174.217 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.8 t30 62.83 75.97 0.38 Allowed 'General case' 0 C--N 1.392 2.452 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 176.369 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 CA--C 1.591 2.528 0 N-CA-C 105.587 -2.005 . . . . 0.0 105.587 -177.189 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.505 ' H1 ' ' CG ' ' A' ' 20' ' ' ASP . 0.8 OUTLIER . . . . . 0 N--CA 1.53 3.563 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 . . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 68.0 mt -83.93 117.41 29.48 Favored 'Isoleucine or valine' 0 C--N 1.396 2.594 0 N-CA-C 105.063 -2.199 . . . . 0.0 105.063 174.314 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.0 m -140.43 163.45 32.79 Favored 'General case' 0 C--N 1.386 2.195 0 O-C-N 120.799 -1.188 . . . . 0.0 110.525 174.931 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -75.81 151.74 37.44 Favored 'General case' 0 C--N 1.382 1.983 0 C-N-CA 118.957 -1.097 . . . . 0.0 113.387 -170.276 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -145.09 56.12 1.24 Allowed 'General case' 0 C--N 1.386 2.176 0 N-CA-C 102.851 -3.018 . . . . 0.0 102.851 166.638 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.16 7.6 m170 -99.61 -175.63 3.04 Favored 'General case' 0 C--N 1.387 2.226 0 C-N-CA 125.601 1.561 . . . . 0.0 112.556 -178.946 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.4 mp 69.55 176.57 0.27 Allowed 'General case' 0 C--N 1.384 2.075 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 172.761 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.49 58.67 12.17 Favored Glycine 0 C--N 1.387 3.406 0 CA-C-O 117.898 -1.501 . . . . 0.0 110.098 -176.629 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.7 m 117.04 -41.12 0.01 OUTLIER 'General case' 0 C--N 1.393 2.496 0 C-N-CA 129.957 3.303 . . . . 0.0 110.53 174.026 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -144.29 126.76 8.41 Favored Pre-proline 0 CA--C 1.583 2.225 0 CA-C-O 118.929 -0.558 . . . . 0.0 110.668 -172.541 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . 0.271 14.0 Cg_endo -88.1 5.0 5.53 Favored 'Trans proline' 1 CA--C 1.605 4.073 0 N-CA-C 119.657 2.907 . . . . 0.0 119.657 179.599 . . . . . . . . 3 2 . 1 . 038 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -84.0 -25.02 2.45 Favored 'Trans proline' 0 C--N 1.41 3.808 1 N-CA-C 127.763 6.024 . . . . 0.0 127.763 -176.402 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.6 p -91.82 149.54 21.53 Favored 'General case' 0 C--N 1.396 2.602 0 CA-C-N 125.098 3.59 . . . . 0.0 118.866 -172.315 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.5 p -129.22 137.95 51.41 Favored 'General case' 0 C--N 1.381 1.971 0 CA-C-N 110.7 -2.955 . . . . 0.0 106.064 166.567 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -98.18 116.31 30.14 Favored 'General case' 0 C--N 1.376 1.729 0 CA-C-N 115.148 -0.933 . . . . 0.0 108.55 -171.845 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.8 m -76.95 98.46 4.93 Favored 'General case' 0 C--N 1.392 2.444 0 N-CA-C 102.596 -3.113 . . . . 0.0 102.596 173.501 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.4 t -118.64 151.17 38.43 Favored 'General case' 0 C--N 1.39 2.345 0 CA-C-O 122.571 1.177 . . . . 0.0 112.296 -170.871 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -102.19 63.63 0.9 Allowed 'General case' 0 C--N 1.378 1.846 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 179.614 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -146.01 111.97 5.67 Favored 'General case' 0 CA--C 1.572 1.792 1 N-CA-C 99.949 -4.093 . . . . 0.0 99.949 174.268 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.505 ' CG ' ' H1 ' ' A' ' 1' ' ' ARG 2.12 4.1 m-20 -61.52 4.12 0.11 Allowed 'General case' 0 CA--C 1.585 2.314 0 C-N-CA 128.383 2.673 . . . . 0.0 116.393 -166.911 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.8 t -159.3 157.72 31.06 Favored 'General case' 0 C--N 1.381 1.977 0 CA-C-N 120.919 1.69 . . . . 0.0 107.843 -176.727 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.9 p -149.49 150.36 32.21 Favored 'General case' 0 C--N 1.391 2.395 0 C-N-CA 117.512 -1.675 . . . . 0.0 115.222 -176.373 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -118.16 149.99 40.14 Favored 'General case' 0 C--N 1.386 2.158 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 -163.846 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.589 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 43.6 mttm -100.11 115.64 30.27 Favored 'General case' 0 C--N 1.388 2.255 0 N-CA-C 105.137 -2.172 . . . . 0.0 105.137 -177.613 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.677 ' HA ' ' HE1' ' A' ' 27' ' ' TRP . 6.3 t-20 -113.16 115.93 29.03 Favored 'General case' 0 CA--C 1.58 2.104 0 N-CA-C 101.313 -3.588 . . . . 0.0 101.313 -177.406 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.01 42.72 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.388 2.275 0 CA-C-O 123.413 1.578 . . . . 0.0 111.78 -165.747 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.677 ' HE1' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -148.81 -83.27 0.11 Allowed 'General case' 0 C--N 1.371 1.535 0 N-CA-C 103.952 -2.61 . . . . 0.0 103.952 -168.47 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.261 10.2 t 70.87 -90.04 0.03 OUTLIER 'General case' 0 CA--C 1.583 2.222 0 N-CA-C 104.911 -2.255 . . . . 0.0 104.911 -175.424 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -179.51 -47.71 0.01 OUTLIER 'General case' 0 C--N 1.384 2.088 0 N-CA-C 103.977 -2.601 . . . . 0.0 103.977 -177.043 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -64.93 -2.96 2.96 Favored 'General case' 0 CA--C 1.584 2.264 0 C-N-CA 130.191 3.396 . . . . 0.0 112.636 170.472 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 70.71 73.38 0.2 Allowed 'General case' 0 C--N 1.395 2.563 0 CA-C-N 122.181 2.264 . . . . 0.0 108.262 173.039 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.7 tp -163.03 162.03 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.394 2.523 0 C-N-CA 118.106 -1.438 . . . . 0.0 113.601 -174.291 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.3 mt -91.96 97.22 6.98 Favored 'Isoleucine or valine' 0 C--N 1.389 2.308 0 N-CA-C 105.068 -2.197 . . . . 0.0 105.068 174.185 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.0 ttp85 -146.02 120.66 9.8 Favored 'General case' 0 C--N 1.384 2.098 0 N-CA-C 101.813 -3.403 . . . . 0.0 101.813 -179.476 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -150.63 -169.43 3.38 Favored 'General case' 0 C--N 1.385 2.125 0 CA-C-N 113.75 -1.568 . . . . 0.0 113.418 -153.937 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -168.15 -176.76 38.86 Favored Glycine 0 C--N 1.396 3.877 1 C-N-CA 112.771 -4.537 . . . . 0.0 119.382 -172.583 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.8 p -94.05 119.4 32.86 Favored 'General case' 0 C--N 1.387 2.239 0 CA-C-N 114.168 -1.016 . . . . 0.0 110.358 -178.251 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.18 -88.67 0.07 OUTLIER Glycine 0 C--N 1.395 3.835 0 N-CA-C 106.001 -2.84 . . . . 0.0 106.001 172.561 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.361 43.5 t 87.24 -56.25 0.04 OUTLIER 'General case' 0 C--N 1.383 2.042 0 CA-C-N 113.164 -1.518 . . . . 0.0 111.251 176.101 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -80.28 77.96 6.99 Favored 'General case' 0 CA--C 1.581 2.138 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 -169.828 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 75.8 p -96.03 134.89 23.18 Favored Pre-proline 0 C--N 1.394 2.524 0 C-N-CA 124.44 1.096 . . . . 0.0 109.79 -176.675 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -63.94 144.82 89.04 Favored 'Trans proline' 0 C--N 1.398 3.174 0 C-N-CA 120.91 1.073 . . . . 0.0 112.516 174.783 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -88.57 82.4 6.91 Favored 'General case' 0 C--N 1.393 2.463 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 -178.146 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -112.07 37.63 3.6 Favored Glycine 0 C--N 1.39 3.547 0 CA-C-O 119.134 -0.814 . . . . 0.0 111.552 174.246 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.305 7.0 m-20 59.58 41.07 19.49 Favored 'General case' 0 C--N 1.384 2.108 0 C-N-CA 124.942 1.297 . . . . 0.0 108.649 -178.873 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.2 tpt -123.19 93.13 48.43 Favored Pre-proline 0 C--N 1.386 2.169 0 N-CA-C 101.651 -3.463 . . . . 0.0 101.651 174.239 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -68.31 109.13 1.93 Allowed 'Trans proline' 0 C--N 1.396 3.036 0 N-CA-C 106.429 -2.181 . . . . 0.0 106.429 178.807 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.42 168.11 54.01 Favored Glycine 0 C--N 1.391 3.631 0 O-C-N 120.488 -1.383 . . . . 0.0 111.334 178.144 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -51.26 155.67 6.4 Favored 'Trans proline' 0 C--N 1.386 2.513 0 C-N-CA 121.614 1.543 . . . . 0.0 111.603 170.359 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -79.84 138.81 37.29 Favored 'General case' 0 CA--C 1.575 1.92 0 CA-C-N 114.0 -1.455 . . . . 0.0 110.136 -177.662 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 4.3 m -119.21 161.96 19.49 Favored 'General case' 0 C--N 1.399 2.745 0 N-CA-C 118.782 2.882 . . . . 0.0 118.782 -163.953 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.6 t -138.03 150.57 47.06 Favored 'General case' 0 C--N 1.387 2.213 0 CA-C-N 113.743 -1.572 . . . . 0.0 111.009 177.897 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.55 53.01 1.0 Allowed 'General case' 0 C--N 1.379 1.854 0 O-C-N 121.436 -0.79 . . . . 0.0 109.033 -174.753 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.1 t -147.38 151.44 36.51 Favored 'General case' 0 C--N 1.382 1.999 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.541 -173.318 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.455 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 26.4 t70 -60.42 126.61 28.13 Favored 'General case' 0 C--N 1.398 2.711 0 N-CA-C 105.36 -2.089 . . . . 0.0 105.36 179.805 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.455 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 40.1 mmtm 72.43 -72.07 0.12 Allowed 'General case' 0 C--N 1.388 2.248 0 C-N-CA 125.716 1.606 . . . . 0.0 109.568 178.896 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.268 30.3 t 78.92 31.08 0.32 Allowed 'General case' 0 CA--C 1.576 1.98 0 C-N-CA 127.322 2.249 . . . . 0.0 109.759 -178.281 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 64.8 t30 60.56 72.86 0.5 Allowed 'General case' 0 C--N 1.394 2.522 0 N-CA-C 106.147 -1.797 . . . . 0.0 106.147 176.174 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.589 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 20.6 mt . . . . . 0 CA--C 1.602 2.967 0 C-N-CA 126.304 1.842 . . . . 0.0 108.489 -179.281 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.479 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.9 OUTLIER . . . . . 0 N--CA 1.536 3.841 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 . . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.1 mt -79.29 125.59 38.62 Favored 'Isoleucine or valine' 0 C--N 1.392 2.422 0 CA-C-O 122.682 1.229 . . . . 0.0 108.601 -179.774 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.6 m -142.74 151.11 40.94 Favored 'General case' 0 C--N 1.387 2.21 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 162.672 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -92.4 157.72 16.45 Favored 'General case' 0 C--N 1.387 2.199 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -168.814 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.4 p30 -128.17 22.73 6.1 Favored 'General case' 0 C--N 1.384 2.066 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -177.553 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.22 2.3 m-70 -75.55 -169.99 1.16 Allowed 'General case' 0 C--N 1.39 2.333 0 N-CA-C 115.493 1.664 . . . . 0.0 115.493 -168.98 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.0 mt 72.9 -168.99 0.13 Allowed 'General case' 0 C--N 1.393 2.467 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 171.157 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.22 -51.1 2.77 Favored Glycine 0 C--N 1.384 3.241 0 CA-C-N 114.518 -1.219 . . . . 0.0 110.265 -172.202 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 55.4 m -172.94 -48.96 0.02 OUTLIER 'General case' 0 C--N 1.38 1.908 0 N-CA-C 105.09 -2.189 . . . . 0.0 105.09 -178.824 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -76.84 151.41 82.24 Favored Pre-proline 0 C--N 1.393 2.489 0 C-N-CA 119.489 -0.885 . . . . 0.0 112.095 -178.693 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -61.7 172.44 3.68 Favored 'Trans proline' 0 C--N 1.402 3.366 0 C-N-CA 122.568 2.179 . . . . 0.0 115.392 -179.285 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_exo -52.41 145.76 35.38 Favored 'Trans proline' 0 C--N 1.395 2.995 0 C-N-CA 122.788 2.325 . . . . 0.0 116.54 -179.236 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.0 m -168.55 155.92 7.72 Favored 'General case' 0 C--N 1.387 2.231 0 CA-C-N 113.394 -1.73 . . . . 0.0 106.92 -178.821 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.5 p -143.62 155.63 44.32 Favored 'General case' 0 C--N 1.384 2.086 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -164.383 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -119.24 120.16 36.2 Favored 'General case' 0 C--N 1.386 2.177 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 177.658 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 47.7 m -95.23 90.1 5.74 Favored 'General case' 0 C--N 1.388 2.254 0 N-CA-C 100.954 -3.721 . . . . 0.0 100.954 175.588 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 1' ' ' ARG . 44.5 t -118.49 162.69 17.94 Favored 'General case' 0 C--N 1.386 2.191 0 CA-C-O 122.591 1.186 . . . . 0.0 114.143 -164.365 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -101.42 1.02 37.89 Favored 'General case' 0 C--N 1.376 1.727 0 CA-C-N 113.526 -1.67 . . . . 0.0 112.992 -177.691 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -77.3 115.67 17.27 Favored 'General case' 0 C--N 1.399 2.73 0 N-CA-C 104.781 -2.303 . . . . 0.0 104.781 176.544 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.192 67.4 m-20 -60.85 -12.77 12.0 Favored 'General case' 0 C--N 1.388 2.243 0 C-N-CA 126.515 1.926 . . . . 0.0 115.686 -169.407 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.6 t -127.34 122.12 32.88 Favored 'General case' 0 C--N 1.379 1.849 0 N-CA-C 104.158 -2.534 . . . . 0.0 104.158 177.816 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.387 18.3 p -121.23 146.23 47.02 Favored 'General case' 0 C--N 1.388 2.26 0 CA-C-O 123.117 1.437 . . . . 0.0 111.551 179.581 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -124.48 160.69 27.69 Favored 'General case' 0 C--N 1.386 2.157 0 N-CA-C 116.103 1.89 . . . . 0.0 116.103 -158.062 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.588 ' HZ2' ' C ' ' A' ' 59' ' ' LEU . 68.4 mmtt -107.23 124.88 50.39 Favored 'General case' 0 C--N 1.386 2.193 0 CA-C-N 112.236 -2.256 . . . . 0.0 107.549 175.814 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.513 ' H ' ' HB3' ' A' ' 35' ' ' ARG . 0.4 OUTLIER -119.54 108.31 14.36 Favored 'General case' 0 CA--C 1.572 1.822 0 N-CA-C 101.532 -3.507 . . . . 0.0 101.532 177.32 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -123.84 -31.3 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.398 2.688 0 N-CA-C 117.674 2.472 . . . . 0.0 117.674 -155.819 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.569 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -56.94 -106.05 0.0 OUTLIER 'General case' 0 CA--C 1.596 2.725 0 C-N-CA 131.402 3.881 . . . . 0.0 106.715 168.848 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.6 t 71.8 158.61 0.2 Allowed 'General case' 0 C--N 1.393 2.457 0 CA-C-O 123.518 1.628 . . . . 0.0 112.9 177.41 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -67.02 -35.42 79.89 Favored 'General case' 0 C--N 1.386 2.179 0 CA-C-N 114.408 -1.269 . . . . 0.0 111.451 175.488 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . 0.259 16.9 p30 -86.27 9.42 17.81 Favored 'General case' 0 CA--C 1.582 2.187 0 C-N-CA 126.293 1.837 . . . . 0.0 113.0 -178.405 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.7 t30 58.04 65.36 1.31 Allowed 'General case' 0 C--N 1.399 2.72 0 CA-C-N 121.397 1.908 . . . . 0.0 106.049 173.001 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 tp -163.07 158.08 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.396 2.625 0 C-N-CA 115.45 -2.5 . . . . 0.0 114.681 -167.262 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -103.72 89.11 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.386 2.156 0 N-CA-C 104.67 -2.345 . . . . 0.0 104.67 -177.664 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.1 ttp85 -126.66 108.14 10.82 Favored 'General case' 0 C--N 1.382 2.02 0 N-CA-C 103.694 -2.706 . . . . 0.0 103.694 -175.601 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.513 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -152.0 -159.53 1.03 Allowed 'General case' 0 C--N 1.396 2.619 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -157.562 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 169.03 -166.26 39.56 Favored Glycine 0 C--N 1.394 3.76 0 C-N-CA 114.759 -3.591 . . . . 0.0 118.258 -175.228 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.4 p -87.57 126.09 34.73 Favored 'General case' 0 C--N 1.391 2.371 0 CA-C-O 121.749 0.785 . . . . 0.0 109.967 177.522 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.68 -87.61 0.07 OUTLIER Glycine 0 C--N 1.396 3.872 0 N-CA-C 105.491 -3.043 . . . . 0.0 105.491 175.876 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 40' ' ' PHE 2.454 52.8 t 64.95 -163.79 0.25 Allowed 'General case' 0 C--N 1.383 2.038 0 N-CA-C 116.064 1.875 . . . . 0.0 116.064 172.875 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 40' ' ' PHE . . . . . 0.462 ' N ' ' SG ' ' A' ' 39' ' ' CYS 0.264 27.5 m-85 60.05 40.87 18.09 Favored 'General case' 0 C--N 1.38 1.894 0 CA-C-N 112.081 -2.327 . . . . 0.0 109.302 -177.434 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.1 t -116.26 101.47 53.82 Favored Pre-proline 0 C--N 1.389 2.32 0 N-CA-C 102.801 -3.037 . . . . 0.0 102.801 173.464 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -79.31 85.72 1.8 Allowed 'Trans proline' 0 C--N 1.4 3.259 0 N-CA-C 105.501 -2.538 . . . . 0.0 105.501 -179.448 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -92.51 145.98 24.03 Favored 'General case' 0 C--N 1.387 2.204 0 CA-C-N 114.986 -1.006 . . . . 0.0 112.621 -177.907 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.61 -84.62 1.11 Allowed Glycine 0 C--N 1.392 3.676 1 N-CA-C 102.814 -4.114 . . . . 0.0 102.814 171.305 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.325 1.4 t70 -141.49 67.52 1.34 Allowed 'General case' 0 C--N 1.391 2.383 0 N-CA-C 102.484 -3.154 . . . . 0.0 102.484 158.935 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.3 ptm -112.97 178.19 1.02 Allowed Pre-proline 0 C--N 1.387 2.206 0 CA-C-N 113.241 -1.799 . . . . 0.0 111.472 -179.443 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -58.2 137.18 79.29 Favored 'Trans proline' 0 C--N 1.393 2.913 0 CA-C-O 122.915 1.131 . . . . 0.0 113.274 -177.027 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 124.54 154.32 8.82 Favored Glycine 0 C--N 1.391 3.595 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.686 -178.281 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -67.37 163.25 35.32 Favored 'Trans proline' 0 C--N 1.387 2.564 0 N-CA-C 115.163 1.178 . . . . 0.0 115.163 176.149 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . 0.287 11.3 p90 -90.14 136.43 33.06 Favored 'General case' 0 C--N 1.385 2.114 0 N-CA-C 106.711 -1.588 . . . . 0.0 106.711 176.6 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 4.0 m -115.37 164.23 14.56 Favored 'General case' 0 C--N 1.389 2.307 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 -164.214 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.9 t -141.73 159.02 43.09 Favored 'General case' 0 C--N 1.38 1.929 0 CA-C-N 113.877 -1.51 . . . . 0.0 110.344 -174.869 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -124.75 64.14 1.12 Allowed 'General case' 0 C--N 1.383 2.022 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 177.866 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.4 m -160.5 170.75 20.29 Favored 'General case' 0 C--N 1.387 2.224 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.935 177.606 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.538 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 26.2 t0 -78.95 108.4 12.39 Favored 'General case' 0 CA--C 1.587 2.387 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 -178.783 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.538 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.307 8.8 mptt 78.98 -55.64 0.45 Allowed 'General case' 0 C--N 1.396 2.611 0 C-N-CA 127.98 2.512 . . . . 0.0 114.554 176.473 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 38.4 m 67.33 45.3 1.65 Allowed 'General case' 0 CA--C 1.587 2.372 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -177.325 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.6 t30 70.51 79.24 0.18 Allowed 'General case' 0 C--N 1.394 2.504 0 N-CA-C 105.907 -1.886 . . . . 0.0 105.907 -179.916 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.588 ' C ' ' HZ2' ' A' ' 24' ' ' LYS . 1.6 mm? . . . . . 0 CA--C 1.597 2.76 0 C-N-CA 126.813 2.045 . . . . 0.0 110.152 175.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.511 HH12 ' CG ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 1 N--CA 1.541 4.084 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 73.1 mt -121.78 127.78 75.56 Favored 'Isoleucine or valine' 0 C--N 1.383 2.064 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.9 m -144.0 134.55 24.81 Favored 'General case' 0 C--N 1.383 2.05 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -78.81 154.23 30.05 Favored 'General case' 0 C--N 1.386 2.193 0 O-C-N 120.161 -1.587 . . . . 0.0 111.546 -169.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -139.69 59.78 1.58 Allowed 'General case' 0 C--N 1.386 2.188 0 N-CA-C 103.936 -2.616 . . . . 0.0 103.936 172.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.199 18.2 m170 -102.63 -166.35 1.27 Allowed 'General case' 0 C--N 1.385 2.145 0 C-N-CA 128.002 2.521 . . . . 0.0 112.714 -178.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.525 ' H ' ' HA ' ' A' ' 11' ' ' PRO 0.37 84.9 mt 68.39 -174.89 0.19 Allowed 'General case' 0 C--N 1.384 2.075 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 171.41 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.31 -40.26 2.98 Favored Glycine 0 C--N 1.389 3.512 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.099 -166.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.9 m -179.88 -42.58 0.01 OUTLIER 'General case' 0 C--N 1.384 2.087 0 C-N-CA 126.519 1.928 . . . . 0.0 106.065 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -103.3 100.85 19.43 Favored Pre-proline 0 CA--C 1.583 2.216 0 C-N-CA 124.985 1.314 . . . . 0.0 107.934 -171.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.525 ' HA ' ' H ' ' A' ' 7' ' ' LEU 0.293 38.1 Cg_endo -91.83 6.17 3.53 Favored 'Trans proline' 0 C--N 1.409 3.749 0 N-CA-C 120.956 3.406 . . . . 0.0 120.956 -175.528 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -82.8 -22.41 4.39 Favored 'Trans proline' 0 C--N 1.404 3.486 1 N-CA-C 124.145 4.633 . . . . 0.0 124.145 -176.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.0 p -85.86 146.33 26.79 Favored 'General case' 0 C--N 1.396 2.627 0 CA-C-N 124.331 3.241 . . . . 0.0 114.891 -173.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 70.4 p -135.08 138.22 43.62 Favored 'General case' 0 C--N 1.381 1.948 0 CA-C-N 113.162 -1.836 . . . . 0.0 108.042 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -96.4 101.37 12.99 Favored 'General case' 0 C--N 1.38 1.906 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 -173.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 60.2 m -82.6 85.79 6.93 Favored 'General case' 0 C--N 1.385 2.122 0 N-CA-C 100.248 -3.982 . . . . 0.0 100.248 173.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.6 t -117.22 156.81 27.09 Favored 'General case' 0 C--N 1.389 2.285 0 CA-C-O 123.632 1.682 . . . . 0.0 113.79 -162.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -97.23 5.28 50.33 Favored 'General case' 0 C--N 1.378 1.841 0 CA-C-N 112.862 -1.972 . . . . 0.0 114.47 -172.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -80.56 146.07 31.45 Favored 'General case' 0 C--N 1.391 2.396 0 CA-C-N 122.124 2.238 . . . . 0.0 110.922 -177.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.511 ' CG ' HH12 ' A' ' 1' ' ' ARG 2.047 1.6 m-20 -57.96 -3.94 0.27 Allowed 'General case' 0 C--N 1.39 2.338 0 C-N-CA 130.398 3.479 . . . . 0.0 113.273 176.835 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.4 t -161.58 146.22 13.18 Favored 'General case' 0 C--N 1.383 2.057 0 O-C-N 120.418 -1.426 . . . . 0.0 108.792 -177.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.2 p -138.9 156.4 47.31 Favored 'General case' 0 C--N 1.389 2.298 0 CA-C-O 122.969 1.366 . . . . 0.0 111.511 170.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -119.83 149.13 42.57 Favored 'General case' 0 C--N 1.375 1.682 0 CA-C-N 113.423 -1.717 . . . . 0.0 113.558 -170.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -111.88 109.93 19.99 Favored 'General case' 0 C--N 1.386 2.18 0 N-CA-C 103.916 -2.624 . . . . 0.0 103.916 176.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.588 ' HA ' ' HE1' ' A' ' 27' ' ' TRP . 1.2 t30 -115.27 116.83 28.97 Favored 'General case' 0 CA--C 1.584 2.266 0 N-CA-C 103.718 -2.697 . . . . 0.0 103.718 -176.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.69 7.33 6.24 Favored 'Isoleucine or valine' 0 C--N 1.391 2.373 0 N-CA-C 115.945 1.831 . . . . 0.0 115.945 -165.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.588 ' HE1' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -117.86 -83.69 0.64 Allowed 'General case' 0 CA--C 1.574 1.878 0 C-N-CA 131.557 3.943 . . . . 0.0 105.051 -167.284 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.282 14.4 t 73.74 -81.31 0.03 OUTLIER 'General case' 0 C--N 1.386 2.181 0 C-N-CA 127.58 2.352 . . . . 0.0 108.084 179.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -179.7 -55.72 0.01 OUTLIER 'General case' 0 C--N 1.386 2.171 0 N-CA-C 105.164 -2.161 . . . . 0.0 105.164 -174.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -69.27 9.24 0.46 Allowed 'General case' 0 CA--C 1.578 2.042 0 C-N-CA 130.587 3.555 . . . . 0.0 112.342 174.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 59.51 66.34 1.03 Allowed 'General case' 0 C--N 1.391 2.408 0 C-N-CA 126.471 1.908 . . . . 0.0 106.084 175.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 tp -149.66 164.77 3.6 Favored 'Isoleucine or valine' 0 C--N 1.392 2.426 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -171.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.9 mp -104.53 95.61 3.95 Favored 'Isoleucine or valine' 0 C--N 1.386 2.184 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.84 118.6 11.71 Favored 'General case' 0 C--N 1.385 2.115 0 N-CA-C 104.619 -2.363 . . . . 0.0 104.619 -175.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -152.57 -171.02 3.8 Favored 'General case' 0 C--N 1.39 2.345 0 C-N-CA 118.834 -1.147 . . . . 0.0 113.654 -158.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -179.71 176.19 47.39 Favored Glycine 0 C--N 1.394 3.801 1 C-N-CA 113.521 -4.18 . . . . 0.0 118.953 -173.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.0 p -82.82 101.68 11.12 Favored 'General case' 0 C--N 1.389 2.3 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 177.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.52 -117.99 0.45 Allowed Glycine 0 C--N 1.396 3.869 0 N-CA-C 107.221 -2.351 . . . . 0.0 107.221 177.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.398 14.2 t 83.01 -126.27 0.01 OUTLIER 'General case' 0 C--N 1.385 2.151 0 O-C-N 121.418 -1.048 . . . . 0.0 110.736 173.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 . . . . . 0 C--N 1.387 2.234 0 O-C-N 121.256 -0.902 . . . . 0.0 110.773 -179.66 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 2.543 0 CA-C-O 122.004 0.78 . . . . 0.0 113.644 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -79.32 170.13 17.89 Favored 'Trans proline' 0 C--N 1.383 2.391 0 C-N-CA 123.83 3.02 . . . . 0.0 110.527 173.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . 0.276 0.4 OUTLIER -72.58 129.73 38.95 Favored 'General case' 0 C--N 1.396 2.59 0 C-N-CA 116.051 -2.26 . . . . 0.0 105.701 178.342 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.4 m -123.35 127.82 49.03 Favored 'General case' 0 C--N 1.391 2.402 0 CA-C-O 122.858 1.313 . . . . 0.0 108.894 -172.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 45.5 t -123.93 173.52 8.16 Favored 'General case' 0 C--N 1.382 2.02 0 C-N-CA 126.168 1.787 . . . . 0.0 113.183 -173.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -131.12 56.28 1.81 Allowed 'General case' 0 C--N 1.385 2.12 0 CA-C-O 122.103 0.954 . . . . 0.0 109.582 -178.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.0 t -150.29 155.57 39.92 Favored 'General case' 0 C--N 1.383 2.035 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.36 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.575 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 17.0 t70 -64.54 129.17 38.85 Favored 'General case' 0 C--N 1.388 2.253 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 177.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.575 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.256 36.9 mmtm 72.21 -68.0 0.24 Allowed 'General case' 0 C--N 1.394 2.536 0 C-N-CA 128.087 2.555 . . . . 0.0 107.944 -175.588 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.295 42.4 t 62.11 65.83 0.86 Allowed 'General case' 0 C--N 1.378 1.842 0 C-N-CA 127.155 2.182 . . . . 0.0 106.319 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.4 t30 77.12 60.28 0.04 OUTLIER 'General case' 0 C--N 1.389 2.303 0 C-N-CA 126.144 1.778 . . . . 0.0 111.094 168.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . 0.268 19.3 tp . . . . . 0 CA--C 1.581 2.164 0 C-N-CA 129.061 2.944 . . . . 0.0 107.407 174.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.48 HH11 ' HG2' ' A' ' 1' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.531 3.592 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -92.25 132.03 37.7 Favored 'Isoleucine or valine' 0 C--N 1.389 2.287 0 CA-C-O 122.407 1.099 . . . . 0.0 109.434 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 83.0 m -143.86 151.41 39.84 Favored 'General case' 0 C--N 1.386 2.169 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 163.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.5 m-30 -92.82 166.22 12.53 Favored 'General case' 0 C--N 1.387 2.217 0 C-N-CA 118.048 -1.461 . . . . 0.0 112.893 -171.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -142.06 52.28 1.48 Allowed 'General case' 0 C--N 1.38 1.925 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 171.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.176 8.8 m170 -81.78 -160.91 0.39 Allowed 'General case' 0 C--N 1.386 2.176 0 C-N-CA 126.616 1.967 . . . . 0.0 110.967 173.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.277 63.0 mt 64.66 -164.74 0.24 Allowed 'General case' 0 C--N 1.385 2.117 0 CA-C-O 123.123 1.44 . . . . 0.0 113.015 170.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.37 -55.36 4.51 Favored Glycine 0 C--N 1.384 3.244 0 N-CA-C 107.593 -2.203 . . . . 0.0 107.593 -166.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.0 m -168.98 -43.79 0.02 OUTLIER 'General case' 0 C--N 1.381 1.978 0 N-CA-C 107.378 -1.341 . . . . 0.0 107.378 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -86.9 156.15 55.34 Favored Pre-proline 0 C--N 1.388 2.25 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 -168.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -55.05 161.98 5.93 Favored 'Trans proline' 0 C--N 1.402 3.377 0 C-N-CA 123.626 2.884 . . . . 0.0 117.653 -178.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -50.01 136.25 36.87 Favored 'Trans proline' 0 C--N 1.396 3.043 0 C-N-CA 123.981 3.121 . . . . 0.0 116.21 -177.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.31 47.0 p -160.41 137.94 9.52 Favored 'General case' 0 C--N 1.392 2.455 0 N-CA-C 104.713 -2.329 . . . . 0.0 104.713 177.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.8 p -125.92 157.66 37.14 Favored 'General case' 0 C--N 1.388 2.262 0 N-CA-C 114.914 1.449 . . . . 0.0 114.914 -163.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -117.39 94.47 4.57 Favored 'General case' 0 C--N 1.39 2.368 0 N-CA-C 106.884 -1.525 . . . . 0.0 106.884 -174.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.6 m -77.1 107.04 9.18 Favored 'General case' 0 C--N 1.389 2.312 0 N-CA-C 102.346 -3.205 . . . . 0.0 102.346 172.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.5 t -118.44 152.98 34.87 Favored 'General case' 0 C--N 1.393 2.492 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -168.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -96.82 -21.12 17.71 Favored 'General case' 0 C--N 1.387 2.208 0 CA-C-N 114.664 -1.153 . . . . 0.0 112.909 177.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -64.34 125.57 25.04 Favored 'General case' 0 C--N 1.395 2.579 0 N-CA-C 103.655 -2.72 . . . . 0.0 103.655 173.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.15 40.5 m-20 -64.38 9.9 0.07 Allowed 'General case' 0 C--N 1.39 2.343 0 C-N-CA 127.227 2.211 . . . . 0.0 114.844 -169.437 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.9 t -153.62 143.6 22.04 Favored 'General case' 0 C--N 1.386 2.161 0 CA-C-N 120.482 1.492 . . . . 0.0 107.999 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.9 p -146.61 165.12 30.47 Favored 'General case' 0 C--N 1.381 1.956 0 CA-C-N 114.905 -1.043 . . . . 0.0 112.012 176.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -147.15 161.82 40.11 Favored 'General case' 0 C--N 1.388 2.275 0 N-CA-C 116.388 1.995 . . . . 0.0 116.388 -161.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.8 mmtt -107.15 118.83 37.75 Favored 'General case' 0 C--N 1.385 2.115 0 CA-C-N 111.312 -2.676 . . . . 0.0 106.732 -177.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.595 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 1.6 t30 -119.29 128.88 54.55 Favored 'General case' 0 CA--C 1.583 2.225 0 N-CA-C 103.898 -2.63 . . . . 0.0 103.898 -175.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.38 -40.71 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.402 2.876 0 N-CA-C 116.532 2.049 . . . . 0.0 116.532 -149.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.595 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -52.07 -93.73 0.0 OUTLIER 'General case' 0 CA--C 1.578 2.045 0 C-N-CA 130.934 3.693 . . . . 0.0 107.508 169.069 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.8 t 78.8 -19.49 0.44 Allowed 'General case' 0 C--N 1.389 2.321 0 C-N-CA 125.029 1.332 . . . . 0.0 112.69 172.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . 0.316 62.1 m-85 84.72 -51.54 0.1 Allowed 'General case' 0 C--N 1.39 2.327 0 C-N-CA 126.476 1.91 . . . . 0.0 107.912 -174.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -68.8 -11.29 60.24 Favored 'General case' 0 CA--C 1.577 1.982 0 CA-C-O 117.009 -1.472 . . . . 0.0 110.899 172.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 70.43 76.17 0.2 Allowed 'General case' 0 C--N 1.396 2.606 0 CA-C-N 122.435 2.379 . . . . 0.0 106.915 174.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 tp -162.01 164.54 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.392 2.438 0 C-N-CA 117.433 -1.707 . . . . 0.0 113.354 -176.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.0 mm -91.07 87.99 2.74 Favored 'Isoleucine or valine' 0 C--N 1.384 2.079 0 N-CA-C 104.23 -2.507 . . . . 0.0 104.23 177.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.01 131.57 23.92 Favored 'General case' 0 C--N 1.386 2.165 0 N-CA-C 104.137 -2.542 . . . . 0.0 104.137 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.503 HH11 ' HG2' ' A' ' 35' ' ' ARG . 1.1 ptt-85 -171.46 -162.12 0.22 Allowed 'General case' 0 C--N 1.407 3.073 0 C-N-CA 116.29 -2.164 . . . . 0.0 113.302 -142.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -172.69 179.74 43.99 Favored Glycine 1 C--N 1.399 4.067 1 C-N-CA 113.532 -4.175 . . . . 0.0 120.979 -173.835 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 44.1 t -96.65 108.96 21.67 Favored 'General case' 0 C--N 1.388 2.25 0 CA-C-N 113.369 -1.416 . . . . 0.0 107.621 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.95 -78.35 0.04 OUTLIER Glycine 0 C--N 1.395 3.83 0 N-CA-C 105.91 -2.876 . . . . 0.0 105.91 176.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.36 46.1 t 69.7 -156.89 0.15 Allowed 'General case' 0 C--N 1.39 2.328 0 CA-C-O 123.037 1.398 . . . . 0.0 113.299 176.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 . . . . . 0 C--N 1.381 1.944 0 CA-C-N 113.335 -1.757 . . . . 0.0 108.977 177.078 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.568 3.4 0 N-CA-C 112.368 -0.293 . . . . 0.0 112.368 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -70.89 -171.46 0.57 Allowed 'Trans proline' 0 C--N 1.392 2.868 0 C-N-CA 124.04 3.16 . . . . 0.0 110.501 172.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -109.19 131.18 55.31 Favored 'General case' 0 C--N 1.388 2.263 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 177.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.4 m -118.72 170.39 9.03 Favored 'General case' 0 C--N 1.396 2.599 0 N-CA-C 117.81 2.522 . . . . 0.0 117.81 -167.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.4 t -140.48 160.71 39.4 Favored 'General case' 0 C--N 1.382 1.99 0 CA-C-N 112.329 -2.214 . . . . 0.0 110.375 176.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -135.45 54.04 1.94 Allowed 'General case' 0 C--N 1.384 2.082 0 N-CA-C 106.614 -1.624 . . . . 0.0 106.614 170.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.7 t -152.58 157.38 40.94 Favored 'General case' 0 C--N 1.381 1.956 0 C-N-CA 127.064 2.145 . . . . 0.0 107.35 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.536 ' CG ' ' NZ ' ' A' ' 56' ' ' LYS . 24.7 p-10 -74.89 141.5 44.16 Favored 'General case' 0 C--N 1.393 2.474 0 C-N-CA 116.21 -2.196 . . . . 0.0 110.21 -177.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.536 ' NZ ' ' CG ' ' A' ' 55' ' ' ASP 0.296 3.0 mppt? 75.87 -89.54 0.02 OUTLIER 'General case' 0 C--N 1.388 2.277 0 C-N-CA 125.535 1.534 . . . . 0.0 109.88 177.442 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 11.4 m 79.71 -41.34 0.23 Allowed 'General case' 0 C--N 1.385 2.137 0 C-N-CA 127.685 2.394 . . . . 0.0 112.691 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -172.52 72.52 0.04 OUTLIER 'General case' 0 C--N 1.388 2.277 0 N-CA-C 101.782 -3.414 . . . . 0.0 101.782 -178.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . 0.255 7.4 mp . . . . . 0 CA--C 1.594 2.652 0 N-CA-C 105.579 -2.008 . . . . 0.0 105.579 -171.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.486 HH21 ' CG ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.539 3.989 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 54.9 mt -90.63 123.8 42.95 Favored 'Isoleucine or valine' 0 C--N 1.391 2.41 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.4 m -137.36 147.4 45.49 Favored 'General case' 0 C--N 1.388 2.278 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 173.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -85.32 167.67 15.38 Favored 'General case' 0 C--N 1.388 2.242 0 N-CA-C 115.085 1.513 . . . . 0.0 115.085 -164.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -146.36 54.32 1.13 Allowed 'General case' 0 C--N 1.387 2.231 0 N-CA-C 104.798 -2.297 . . . . 0.0 104.798 177.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.166 4.2 m170 -83.77 -175.4 5.79 Favored 'General case' 0 C--N 1.383 2.046 0 C-N-CA 124.817 1.247 . . . . 0.0 112.595 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.319 79.5 mt 72.84 -171.83 0.14 Allowed 'General case' 0 C--N 1.381 1.939 0 N-CA-C 115.475 1.657 . . . . 0.0 115.475 170.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.412 ' H ' HG12 ' A' ' 32' ' ' ILE . . . 98.43 -44.17 1.8 Allowed Glycine 0 C--N 1.385 3.252 0 N-CA-C 108.234 -1.946 . . . . 0.0 108.234 -164.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.8 m 173.41 -45.36 0.01 OUTLIER 'General case' 0 C--N 1.39 2.357 0 C-N-CA 127.121 2.168 . . . . 0.0 105.451 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt -90.5 151.07 43.79 Favored Pre-proline 0 CA--C 1.585 2.325 0 C-N-CA 125.756 1.622 . . . . 0.0 112.969 -177.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -117.92 6.08 0.03 OUTLIER 'Trans proline' 1 C--N 1.423 4.472 0 N-CA-C 118.931 2.627 . . . . 0.0 118.931 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -73.26 -11.19 24.81 Favored 'Trans proline' 0 C--N 1.404 3.462 1 N-CA-C 127.399 5.884 . . . . 0.0 127.399 -176.055 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.8 p -116.8 161.47 19.22 Favored 'General case' 0 C--N 1.394 2.504 1 CA-C-N 126.873 4.397 . . . . 0.0 119.141 -172.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.1 p -144.65 155.72 43.75 Favored 'General case' 0 C--N 1.383 2.037 0 CA-C-N 111.393 -2.639 . . . . 0.0 110.379 -174.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -106.78 93.11 4.39 Favored 'General case' 0 C--N 1.382 2.005 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 -178.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.8 m -68.57 120.66 14.96 Favored 'General case' 0 C--N 1.398 2.704 0 N-CA-C 103.501 -2.777 . . . . 0.0 103.501 170.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -133.21 141.8 48.25 Favored 'General case' 0 C--N 1.391 2.408 0 CA-C-O 123.052 1.406 . . . . 0.0 111.186 -170.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -97.2 -16.76 20.25 Favored 'General case' 0 C--N 1.38 1.922 0 CA-C-N 113.588 -1.642 . . . . 0.0 109.164 169.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -72.06 124.36 24.78 Favored 'General case' 0 C--N 1.401 2.833 0 N-CA-C 104.721 -2.326 . . . . 0.0 104.721 174.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.486 ' CG ' HH21 ' A' ' 1' ' ' ARG 2.129 54.4 m-20 -64.56 12.65 0.04 OUTLIER 'General case' 0 CA--C 1.582 2.2 0 C-N-CA 128.461 2.704 . . . . 0.0 116.432 -170.693 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.7 m -149.11 144.37 26.61 Favored 'General case' 0 C--N 1.386 2.185 0 CA-C-N 122.124 2.238 . . . . 0.0 108.646 -178.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.4 p -136.67 152.61 50.59 Favored 'General case' 0 C--N 1.383 2.057 0 CA-C-O 122.458 1.123 . . . . 0.0 111.596 176.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -122.92 155.56 36.48 Favored 'General case' 0 C--N 1.38 1.931 0 CA-C-O 122.847 1.308 . . . . 0.0 114.344 -167.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.427 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 22.8 mmtt -114.18 122.39 46.65 Favored 'General case' 0 C--N 1.384 2.101 0 CA-C-N 112.539 -2.119 . . . . 0.0 106.881 -175.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.505 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 0.4 OUTLIER -127.1 122.23 33.68 Favored 'General case' 0 CA--C 1.582 2.175 0 N-CA-C 104.26 -2.496 . . . . 0.0 104.26 -174.508 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.17 -14.13 2.06 Favored 'Isoleucine or valine' 0 C--N 1.401 2.843 0 N-CA-C 117.59 2.441 . . . . 0.0 117.59 -153.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.548 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -87.66 -106.69 0.07 Allowed 'General case' 0 CA--C 1.591 2.526 1 C-N-CA 134.524 5.13 . . . . 0.0 107.813 -177.333 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.4 t 81.38 151.72 0.1 Allowed 'General case' 0 C--N 1.396 2.63 0 C-N-CA 125.528 1.531 . . . . 0.0 114.635 172.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -56.11 -49.81 72.84 Favored 'General case' 0 C--N 1.396 2.617 0 C-N-CA 125.048 1.339 . . . . 0.0 108.971 176.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 45.5 p30 -73.48 -6.44 46.45 Favored 'General case' 0 CA--C 1.58 2.11 0 C-N-CA 125.511 1.524 . . . . 0.0 113.49 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.2 t30 64.08 81.76 0.2 Allowed 'General case' 0 C--N 1.392 2.446 0 C-N-CA 127.112 2.165 . . . . 0.0 106.333 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.412 HG12 ' H ' ' A' ' 8' ' ' GLY . 1.0 OUTLIER -164.67 168.4 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.392 2.418 0 C-N-CA 118.799 -1.16 . . . . 0.0 113.215 -177.776 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -103.95 103.41 15.16 Favored 'Isoleucine or valine' 0 C--N 1.387 2.202 0 N-CA-C 104.572 -2.381 . . . . 0.0 104.572 175.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.473 HH11 ' HG2' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -146.9 121.41 9.72 Favored 'General case' 0 C--N 1.385 2.133 0 N-CA-C 104.252 -2.499 . . . . 0.0 104.252 -175.265 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.33 -171.18 3.61 Favored 'General case' 0 C--N 1.397 2.653 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -158.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -165.59 -163.21 18.5 Favored Glycine 1 C--N 1.399 4.057 0 C-N-CA 115.006 -3.473 . . . . 0.0 118.909 -167.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 40.4 t -115.38 115.61 26.87 Favored 'General case' 0 C--N 1.392 2.454 0 CA-C-O 122.143 0.973 . . . . 0.0 109.302 -176.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.52 -95.25 0.1 Allowed Glycine 0 C--N 1.392 3.676 0 N-CA-C 103.82 -3.712 . . . . 0.0 103.82 176.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.414 9.1 t 74.17 -155.08 0.06 Allowed 'General case' 0 C--N 1.388 2.243 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 173.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 . . . . . 0 C--N 1.384 2.07 0 CA-C-N 114.405 -1.27 . . . . 0.0 108.428 -179.604 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.56 2.891 0 CA-C-O 115.699 -2.723 . . . . 0.0 106.496 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo 47.13 -152.53 0.0 OUTLIER 'Trans proline' 1 C--N 1.449 5.842 0 C-N-CA 114.671 -3.086 . . . . 0.0 109.815 -171.118 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . 0.279 49.4 p90 -149.28 135.69 19.29 Favored 'General case' 0 C--N 1.373 1.618 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 174.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 16.1 m -120.9 152.53 38.35 Favored 'General case' 0 C--N 1.392 2.444 0 N-CA-C 115.799 1.777 . . . . 0.0 115.799 -161.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 16.8 t -133.59 176.56 8.43 Favored 'General case' 0 C--N 1.378 1.838 0 CA-C-N 112.507 -2.133 . . . . 0.0 111.195 178.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -146.62 37.36 0.99 Allowed 'General case' 0 C--N 1.385 2.126 0 C-N-CA 119.639 -0.825 . . . . 0.0 112.194 -174.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.9 m -123.99 172.42 8.97 Favored 'General case' 0 C--N 1.379 1.881 0 C-N-CA 125.237 1.415 . . . . 0.0 111.349 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.467 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 27.8 t0 -71.6 113.03 8.2 Favored 'General case' 0 C--N 1.388 2.243 0 N-CA-C 105.692 -1.966 . . . . 0.0 105.692 -177.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.467 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.302 4.0 mptt 76.53 -59.92 0.49 Allowed 'General case' 0 C--N 1.396 2.601 0 C-N-CA 126.991 2.116 . . . . 0.0 109.974 -178.323 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 52.2 t 57.77 61.01 2.55 Favored 'General case' 0 C--N 1.378 1.808 0 N-CA-C 106.244 -1.762 . . . . 0.0 106.244 178.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 68.5 75.87 0.26 Allowed 'General case' 0 C--N 1.386 2.178 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 173.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.427 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 23.4 mt . . . . . 0 CA--C 1.603 2.999 0 C-N-CA 127.499 2.32 . . . . 0.0 110.758 176.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.562 HH11 ' HG2' ' A' ' 1' ' ' ARG . 0.2 OUTLIER . . . . . 1 N--CA 1.541 4.111 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 81.0 mt -137.64 139.37 43.27 Favored 'Isoleucine or valine' 0 C--N 1.386 2.186 0 CA-C-N 119.46 1.027 . . . . 0.0 109.464 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 m -140.69 153.84 46.12 Favored 'General case' 0 C--N 1.388 2.25 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 175.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -104.95 147.46 27.76 Favored 'General case' 0 C--N 1.393 2.493 0 O-C-N 120.669 -1.269 . . . . 0.0 113.724 -167.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -130.74 58.21 1.7 Allowed 'General case' 0 C--N 1.392 2.422 0 N-CA-C 105.808 -1.923 . . . . 0.0 105.808 178.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.183 10.9 m170 -101.07 -150.1 0.39 Allowed 'General case' 0 C--N 1.381 1.948 0 C-N-CA 127.592 2.357 . . . . 0.0 111.869 -178.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.489 ' H ' ' HA ' ' A' ' 11' ' ' PRO 0.27 31.3 mt 57.6 -167.45 0.13 Allowed 'General case' 0 C--N 1.385 2.13 0 CA-C-O 122.379 1.085 . . . . 0.0 111.772 176.81 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.02 -53.69 4.51 Favored Glycine 0 C--N 1.383 3.173 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -173.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.5 m -163.54 -49.86 0.03 OUTLIER 'General case' 0 C--N 1.38 1.908 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -102.72 118.13 59.15 Favored Pre-proline 0 CA--C 1.584 2.259 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -176.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.489 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 34.4 Cg_endo -89.62 -6.42 5.09 Favored 'Trans proline' 0 C--N 1.41 3.806 0 N-CA-C 120.543 3.247 . . . . 0.0 120.543 -177.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_exo -81.16 -15.28 10.36 Favored 'Trans proline' 0 C--N 1.397 3.112 1 N-CA-C 125.307 5.08 . . . . 0.0 125.307 -174.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.8 p -92.84 155.99 17.27 Favored 'General case' 0 C--N 1.393 2.472 0 CA-C-N 124.815 3.461 . . . . 0.0 116.541 -172.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 41.8 p -139.62 161.31 37.82 Favored 'General case' 0 C--N 1.385 2.122 0 CA-C-N 111.811 -2.45 . . . . 0.0 112.282 -166.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -127.58 112.82 15.32 Favored 'General case' 0 C--N 1.385 2.148 0 CA-C-O 123.227 1.489 . . . . 0.0 108.288 -174.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 91.5 m -73.38 124.11 25.12 Favored 'General case' 0 C--N 1.387 2.212 0 N-CA-C 105.237 -2.134 . . . . 0.0 105.237 175.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.7 t -125.89 143.38 51.1 Favored 'General case' 0 C--N 1.39 2.352 0 CA-C-O 122.82 1.295 . . . . 0.0 112.126 -173.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 -151.72 49.48 0.8 Allowed 'General case' 0 C--N 1.381 1.952 0 N-CA-C 103.851 -2.648 . . . . 0.0 103.851 165.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -98.21 8.85 44.21 Favored 'General case' 0 C--N 1.396 2.598 0 CA-C-O 121.81 0.814 . . . . 0.0 112.439 176.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.343 0.8 OUTLIER 100.34 -24.99 0.02 OUTLIER 'General case' 0 CA--C 1.577 2.006 0 C-N-CA 129.387 3.075 . . . . 0.0 111.831 178.869 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.3 t -160.02 157.14 28.19 Favored 'General case' 0 C--N 1.391 2.387 0 CA-C-O 122.203 1.001 . . . . 0.0 112.55 -170.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.8 p -139.5 159.33 42.4 Favored 'General case' 0 C--N 1.39 2.337 0 CA-C-O 122.067 0.936 . . . . 0.0 111.963 167.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 43.6 p90 -126.18 154.89 42.61 Favored 'General case' 0 C--N 1.381 1.946 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -167.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.556 ' HZ3' ' C ' ' A' ' 59' ' ' LEU . 13.7 mmtt -111.15 113.46 25.99 Favored 'General case' 0 C--N 1.385 2.144 0 N-CA-C 105.864 -1.902 . . . . 0.0 105.864 -178.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.512 ' H ' ' HB3' ' A' ' 35' ' ' ARG . 2.1 t30 -116.82 113.74 22.95 Favored 'General case' 0 CA--C 1.577 2.002 0 N-CA-C 102.981 -2.97 . . . . 0.0 102.981 -178.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.83 -14.74 4.81 Favored 'Isoleucine or valine' 0 C--N 1.392 2.443 0 N-CA-C 115.789 1.774 . . . . 0.0 115.789 -152.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.98 -102.35 0.09 Allowed 'General case' 0 CA--C 1.579 2.076 1 C-N-CA 134.508 5.123 . . . . 0.0 107.797 179.265 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.2 t 72.12 168.82 0.32 Allowed 'General case' 0 C--N 1.393 2.469 0 O-C-N 120.704 -1.247 . . . . 0.0 110.948 -174.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -62.71 -46.92 85.88 Favored 'General case' 0 C--N 1.391 2.401 0 O-C-N 121.634 -0.666 . . . . 0.0 109.688 175.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -74.44 -2.9 27.57 Favored 'General case' 0 CA--C 1.576 1.98 0 C-N-CA 129.187 2.995 . . . . 0.0 113.951 -175.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 62.81 74.58 0.43 Allowed 'General case' 0 C--N 1.394 2.541 0 CA-C-N 122.967 2.622 . . . . 0.0 106.379 176.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 tp -161.33 161.05 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.389 2.307 0 C-N-CA 118.284 -1.366 . . . . 0.0 113.535 -171.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.1 mt -101.43 84.8 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.389 2.284 0 CA-C-O 123.6 1.667 . . . . 0.0 106.797 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.15 111.64 16.75 Favored 'General case' 0 C--N 1.381 1.959 0 N-CA-C 101.941 -3.355 . . . . 0.0 101.941 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.512 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -157.86 -170.61 3.23 Favored 'General case' 0 C--N 1.39 2.366 0 CA-C-N 115.077 -0.965 . . . . 0.0 112.721 -160.465 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 175.92 -169.37 42.01 Favored Glycine 0 C--N 1.393 3.744 1 C-N-CA 112.683 -4.579 . . . . 0.0 120.155 -172.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.0 t -75.32 112.08 11.25 Favored 'General case' 0 C--N 1.382 2.02 0 CA-C-N 112.645 -1.777 . . . . 0.0 108.293 -177.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.4 -114.41 0.3 Allowed Glycine 1 C--N 1.403 4.281 0 C-N-CA 117.631 -2.223 . . . . 0.0 109.294 -179.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.457 ' SG ' ' N ' ' A' ' 40' ' ' PHE 2.405 45.4 t 101.9 -166.51 0.0 OUTLIER 'General case' 0 C--N 1.385 2.123 0 N-CA-C 116.807 2.151 . . . . 0.0 116.807 174.123 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.457 ' N ' ' SG ' ' A' ' 39' ' ' CYS . 5.0 m-85 . . . . . 0 C--N 1.387 2.208 0 CA-C-N 113.704 -1.589 . . . . 0.0 109.265 167.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 2.65 0 N-CA-C 114.573 0.589 . . . . 0.0 114.573 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -53.21 161.2 3.83 Favored 'Trans proline' 0 C--N 1.393 2.894 0 C-N-CA 123.428 2.752 . . . . 0.0 116.412 174.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -89.62 129.27 36.09 Favored 'General case' 0 C--N 1.386 2.176 0 N-CA-C 105.762 -1.94 . . . . 0.0 105.762 178.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 10.1 m -118.33 155.56 30.43 Favored 'General case' 0 C--N 1.391 2.389 0 CA-C-O 123.407 1.575 . . . . 0.0 114.625 -170.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.9 t -137.4 169.05 18.44 Favored 'General case' 0 C--N 1.379 1.869 0 CA-C-N 112.799 -2.001 . . . . 0.0 111.511 -177.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -132.8 40.02 3.28 Favored 'General case' 0 C--N 1.379 1.858 0 CA-C-O 121.523 0.678 . . . . 0.0 110.218 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.7 t -137.62 154.44 49.74 Favored 'General case' 0 C--N 1.381 1.978 0 C-N-CA 124.843 1.257 . . . . 0.0 110.392 -177.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.538 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 37.3 t0 -56.66 127.23 30.37 Favored 'General case' 0 C--N 1.388 2.245 0 N-CA-C 106.911 -1.515 . . . . 0.0 106.911 176.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.538 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.305 5.2 mptt 72.76 -87.18 0.03 OUTLIER 'General case' 0 C--N 1.396 2.603 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 -179.533 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 35.4 t 68.24 67.59 0.33 Allowed 'General case' 0 C--N 1.38 1.921 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 m120 72.16 75.55 0.16 Allowed 'General case' 0 C--N 1.389 2.288 0 N-CA-C 105.684 -1.969 . . . . 0.0 105.684 173.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.556 ' C ' ' HZ3' ' A' ' 24' ' ' LYS 0.258 10.3 tp . . . . . 0 CA--C 1.588 2.416 0 C-N-CA 129.088 2.955 . . . . 0.0 107.43 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.407 HH11 ' HG2' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 1 N--CA 1.549 4.504 0 CA-C-O 116.121 -1.895 . . . . 0.0 107.929 . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 24.9 mm -114.38 114.23 46.05 Favored 'Isoleucine or valine' 0 C--N 1.394 2.532 0 CA-C-N 122.127 2.24 . . . . 0.0 107.205 175.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.286 81.3 m -124.31 151.17 44.6 Favored 'General case' 0 C--N 1.398 2.702 0 N-CA-C 107.1 -1.444 . . . . 0.0 107.1 164.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -97.13 145.15 26.28 Favored 'General case' 0 C--N 1.387 2.197 0 C-N-CA 119.121 -1.032 . . . . 0.0 113.681 -168.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 51.6 p-10 -124.73 24.75 7.66 Favored 'General case' 0 C--N 1.385 2.137 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.597 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.181 2.1 m-70 -74.58 -162.57 0.16 Allowed 'General case' 0 C--N 1.385 2.151 0 C-N-CA 128.89 2.876 . . . . 0.0 112.329 177.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 63.5 mt 69.12 179.19 0.24 Allowed 'General case' 0 C--N 1.384 2.082 0 CA-C-O 123.393 1.568 . . . . 0.0 114.152 172.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.14 18.73 52.94 Favored Glycine 0 C--N 1.382 3.118 0 CA-C-O 117.392 -1.782 . . . . 0.0 111.927 -175.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.0 m 104.46 -38.2 0.01 OUTLIER 'General case' 0 C--N 1.393 2.49 0 C-N-CA 131.371 3.868 . . . . 0.0 109.815 -175.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.526 ' HZ3' ' CG ' ' A' ' 30' ' ' ASP . 8.1 mptt -70.94 161.03 80.37 Favored Pre-proline 0 CA--C 1.579 2.096 0 C-N-CA 124.746 1.218 . . . . 0.0 112.869 -171.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -69.86 173.11 11.54 Favored 'Trans proline' 0 C--N 1.398 3.143 0 N-CA-C 115.081 1.146 . . . . 0.0 115.081 -178.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -67.26 153.59 76.72 Favored 'Trans proline' 0 C--N 1.393 2.872 0 N-CA-C 117.677 2.145 . . . . 0.0 117.677 -176.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.334 61.2 p -170.84 132.78 0.9 Allowed 'General case' 0 C--N 1.381 1.952 0 N-CA-C 103.814 -2.661 . . . . 0.0 103.814 177.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 44.8 p -125.38 146.02 49.78 Favored 'General case' 0 C--N 1.374 1.632 0 CA-C-N 113.734 -1.575 . . . . 0.0 108.845 -173.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -103.73 98.59 8.43 Favored 'General case' 0 C--N 1.378 1.845 0 CA-C-O 123.908 1.813 . . . . 0.0 107.294 -169.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 53.1 m -72.78 118.75 16.1 Favored 'General case' 0 C--N 1.388 2.26 0 N-CA-C 103.177 -2.897 . . . . 0.0 103.177 172.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.8 t -146.75 160.02 42.76 Favored 'General case' 0 C--N 1.387 2.221 0 CA-C-O 121.666 0.746 . . . . 0.0 112.685 -166.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -140.76 68.87 1.34 Allowed 'General case' 0 C--N 1.381 1.945 0 N-CA-C 104.908 -2.256 . . . . 0.0 104.908 171.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -119.67 120.06 35.52 Favored 'General case' 0 C--N 1.379 1.878 0 N-CA-C 102.709 -3.071 . . . . 0.0 102.709 177.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.231 1.1 m-20 -31.37 -51.6 0.19 Allowed 'General case' 0 C--N 1.388 2.273 0 C-N-CA 128.794 2.838 . . . . 0.0 110.967 -171.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.9 m -133.55 144.06 49.11 Favored 'General case' 0 C--N 1.387 2.216 0 CA-C-O 123.331 1.538 . . . . 0.0 109.219 173.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.27 28.6 p -121.51 148.46 44.44 Favored 'General case' 0 C--N 1.384 2.078 0 CA-C-O 122.981 1.372 . . . . 0.0 110.414 173.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -121.57 162.24 20.95 Favored 'General case' 0 C--N 1.382 2.004 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 -163.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.574 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -109.23 117.16 33.37 Favored 'General case' 0 C--N 1.381 1.971 0 CA-C-N 111.108 -2.769 . . . . 0.0 106.549 178.221 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.516 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 1.6 t30 -117.94 130.01 55.96 Favored 'General case' 0 CA--C 1.579 2.064 0 C-N-CA 129.014 2.926 . . . . 0.0 104.365 -177.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -141.65 30.34 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.406 3.06 0 CA-C-O 122.823 1.297 . . . . 0.0 114.295 -147.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.516 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -151.04 -106.32 0.06 Allowed 'General case' 0 CA--C 1.59 2.519 0 C-N-CA 127.396 2.278 . . . . 0.0 106.022 -166.331 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.291 51.5 m 65.49 170.13 0.21 Allowed 'General case' 0 C--N 1.396 2.621 0 C-N-CA 126.59 1.956 . . . . 0.0 115.385 171.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -70.85 -36.07 72.7 Favored 'General case' 0 C--N 1.399 2.755 0 C-N-CA 119.043 -1.063 . . . . 0.0 110.523 -176.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.526 ' CG ' ' HZ3' ' A' ' 10' ' ' LYS . 86.6 m-20 -60.58 -23.3 64.56 Favored 'General case' 0 C--N 1.391 2.37 0 CA-C-N 119.974 1.261 . . . . 0.0 109.871 175.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 72.3 77.82 0.15 Allowed 'General case' 0 C--N 1.394 2.505 0 N-CA-C 104.673 -2.343 . . . . 0.0 104.673 178.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.1 tp -177.26 170.0 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.393 2.493 0 CA-C-N 114.956 -1.02 . . . . 0.0 112.604 -166.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.3 mp -94.56 101.11 12.16 Favored 'Isoleucine or valine' 0 C--N 1.385 2.124 0 N-CA-C 104.205 -2.517 . . . . 0.0 104.205 172.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.569 HH11 ' HG2' ' A' ' 34' ' ' ARG . 3.4 ttp85 -150.27 134.9 17.45 Favored 'General case' 0 C--N 1.385 2.142 0 N-CA-C 104.597 -2.372 . . . . 0.0 104.597 -178.021 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.46 HH11 ' HG2' ' A' ' 35' ' ' ARG . 8.7 ptt-85 -172.52 -174.89 1.25 Allowed 'General case' 0 C--N 1.397 2.64 0 C-N-CA 116.624 -2.03 . . . . 0.0 112.204 -146.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 173.46 -168.04 40.86 Favored Glycine 0 C--N 1.394 3.777 0 C-N-CA 114.334 -3.793 . . . . 0.0 118.405 -176.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 56.7 m -71.1 122.59 20.37 Favored 'General case' 0 C--N 1.385 2.144 0 CA-C-N 114.043 -1.078 . . . . 0.0 111.004 -178.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.03 -99.88 0.13 Allowed Glycine 1 C--N 1.403 4.277 0 N-CA-C 105.955 -2.858 . . . . 0.0 105.955 170.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.369 29.0 t 95.75 -165.97 0.0 OUTLIER 'General case' 0 C--N 1.384 2.08 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 172.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.384 2.074 0 CA-C-N 114.339 -1.3 . . . . 0.0 111.885 166.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 2.641 0 N-CA-C 114.249 0.46 . . . . 0.0 114.249 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_exo -65.82 -174.76 0.4 Allowed 'Trans proline' 0 C--N 1.393 2.891 0 C-N-CA 123.409 2.739 . . . . 0.0 115.629 172.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -114.97 136.65 52.89 Favored 'General case' 0 C--N 1.389 2.293 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 5.1 m -119.84 161.94 19.96 Favored 'General case' 0 C--N 1.392 2.433 0 N-CA-C 116.573 2.064 . . . . 0.0 116.573 -167.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.6 t -149.97 159.59 44.27 Favored 'General case' 0 C--N 1.386 2.166 0 CA-C-N 114.117 -1.401 . . . . 0.0 110.184 174.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.7 41.64 2.65 Favored 'General case' 0 C--N 1.39 2.369 0 O-C-N 121.677 -0.64 . . . . 0.0 111.498 -175.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 t -143.21 164.06 31.23 Favored 'General case' 0 C--N 1.386 2.193 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.516 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 24.3 t0 -61.37 111.38 1.74 Allowed 'General case' 0 C--N 1.389 2.3 0 N-CA-C 105.972 -1.862 . . . . 0.0 105.972 -178.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.516 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.291 2.7 mptt 70.86 -63.39 0.42 Allowed 'General case' 0 C--N 1.393 2.479 0 C-N-CA 127.143 2.177 . . . . 0.0 108.716 -173.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.261 6.4 t 73.86 -44.65 0.58 Allowed 'General case' 0 C--N 1.383 2.063 0 C-N-CA 128.186 2.594 . . . . 0.0 109.077 -178.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -174.49 62.51 0.02 OUTLIER 'General case' 0 C--N 1.392 2.422 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.574 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 5.7 tp . . . . . 0 CA--C 1.587 2.401 0 N-CA-C 104.464 -2.421 . . . . 0.0 104.464 -177.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 1 N--CA 1.545 4.313 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.4 mt -99.57 133.93 40.66 Favored 'Isoleucine or valine' 0 C--N 1.395 2.551 0 CA-C-N 119.519 1.054 . . . . 0.0 109.065 178.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 67.7 m -145.35 155.38 43.15 Favored 'General case' 0 C--N 1.387 2.204 0 CA-C-O 121.929 0.871 . . . . 0.0 109.668 167.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -68.48 152.42 45.43 Favored 'General case' 0 C--N 1.389 2.319 0 O-C-N 121.415 -0.803 . . . . 0.0 111.52 -177.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -152.54 58.51 0.82 Allowed 'General case' 0 C--N 1.391 2.402 0 N-CA-C 105.306 -2.109 . . . . 0.0 105.306 175.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.187 6.0 m170 -99.21 -150.16 0.37 Allowed 'General case' 0 C--N 1.385 2.148 0 C-N-CA 125.354 1.462 . . . . 0.0 110.246 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.518 ' H ' ' HA ' ' A' ' 11' ' ' PRO 0.266 5.3 mp 65.69 -175.51 0.18 Allowed 'General case' 0 C--N 1.387 2.232 0 CA-C-O 121.935 0.874 . . . . 0.0 113.229 170.452 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.35 -43.05 3.17 Favored Glycine 0 C--N 1.386 3.332 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -172.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.3 m -170.34 -42.5 0.02 OUTLIER 'General case' 0 C--N 1.381 1.965 0 N-CA-C 106.224 -1.769 . . . . 0.0 106.224 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -115.82 109.0 45.77 Favored Pre-proline 0 C--N 1.389 2.307 0 CA-C-O 118.071 -0.966 . . . . 0.0 109.571 -173.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.518 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 85.6 Cg_exo -83.95 3.29 7.72 Favored 'Trans proline' 0 C--N 1.41 3.769 0 N-CA-C 120.421 3.2 . . . . 0.0 120.421 175.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -72.41 -13.22 27.78 Favored 'Trans proline' 0 C--N 1.4 3.266 1 N-CA-C 124.217 4.66 . . . . 0.0 124.217 -176.559 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.3 p -113.63 157.85 21.59 Favored 'General case' 0 C--N 1.394 2.509 0 CA-C-N 125.644 3.838 . . . . 0.0 117.4 -174.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.9 p -133.48 146.2 50.9 Favored 'General case' 0 C--N 1.379 1.875 0 CA-C-N 112.132 -2.303 . . . . 0.0 108.088 -177.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -107.72 93.51 4.58 Favored 'General case' 0 C--N 1.379 1.872 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 -166.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.6 m -73.6 99.43 3.07 Favored 'General case' 0 C--N 1.395 2.562 0 N-CA-C 101.634 -3.469 . . . . 0.0 101.634 176.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.4 t -125.4 156.95 37.99 Favored 'General case' 0 C--N 1.394 2.541 0 CA-C-O 124.205 1.955 . . . . 0.0 114.411 -166.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.4 pm0 -91.86 -9.87 41.79 Favored 'General case' 0 C--N 1.377 1.77 0 CA-C-N 111.851 -2.431 . . . . 0.0 112.584 -176.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -71.77 128.64 36.44 Favored 'General case' 0 C--N 1.396 2.589 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 173.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.156 20.1 m-20 -63.94 6.0 0.2 Allowed 'General case' 0 CA--C 1.591 2.528 0 C-N-CA 129.541 3.136 . . . . 0.0 116.027 -174.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.9 m -160.98 150.26 16.83 Favored 'General case' 0 C--N 1.382 2.004 0 CA-C-N 120.918 1.69 . . . . 0.0 107.184 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.375 25.8 p -139.25 145.46 39.23 Favored 'General case' 0 C--N 1.39 2.346 0 CA-C-O 123.283 1.516 . . . . 0.0 113.592 -178.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -118.59 159.4 23.64 Favored 'General case' 0 C--N 1.391 2.376 0 N-CA-C 115.902 1.816 . . . . 0.0 115.902 -160.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.457 ' NZ ' ' OXT' ' A' ' 59' ' ' LEU . 40.9 mttm -105.57 123.64 48.24 Favored 'General case' 0 C--N 1.387 2.223 0 CA-C-O 123.306 1.526 . . . . 0.0 107.802 -179.068 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.504 ' HA ' ' HE1' ' A' ' 27' ' ' TRP . 1.1 t30 -118.67 121.95 41.38 Favored 'General case' 0 CA--C 1.575 1.907 0 N-CA-C 103.403 -2.814 . . . . 0.0 103.403 177.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.4 pp -139.23 17.38 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.392 2.45 0 N-CA-C 116.213 1.931 . . . . 0.0 116.213 -159.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.563 ' N ' ' CD1' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -139.16 -109.22 0.16 Allowed 'General case' 0 CA--C 1.585 2.299 0 C-N-CA 128.75 2.82 . . . . 0.0 105.706 -161.219 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.318 1.8 m 64.36 161.0 0.11 Allowed 'General case' 0 C--N 1.397 2.641 0 C-N-CA 126.205 1.802 . . . . 0.0 114.872 174.043 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -62.65 -41.35 99.0 Favored 'General case' 0 C--N 1.394 2.515 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.204 -178.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -72.06 -0.77 12.56 Favored 'General case' 0 CA--C 1.578 2.033 0 CA-C-O 116.948 -1.501 . . . . 0.0 112.796 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 61.85 70.56 0.58 Allowed 'General case' 0 C--N 1.398 2.711 0 CA-C-N 122.812 2.551 . . . . 0.0 107.233 171.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 tp -166.26 168.82 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.392 2.413 0 C-N-CA 116.988 -1.885 . . . . 0.0 113.69 -172.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 mp -106.78 107.82 23.68 Favored 'Isoleucine or valine' 0 C--N 1.385 2.109 0 N-CA-C 103.371 -2.826 . . . . 0.0 103.371 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.583 HH11 ' HG2' ' A' ' 34' ' ' ARG . 7.5 ttp85 -157.09 84.76 0.94 Allowed 'General case' 0 C--N 1.39 2.339 0 N-CA-C 102.383 -3.192 . . . . 0.0 102.383 -165.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -117.13 -174.08 2.52 Favored 'General case' 0 C--N 1.371 1.534 0 CA-C-N 110.178 -3.192 . . . . 0.0 113.683 -163.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 178.02 -165.08 34.34 Favored Glycine 0 C--N 1.391 3.602 1 C-N-CA 113.565 -4.16 . . . . 0.0 116.346 -170.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.3 p -94.01 118.76 31.95 Favored 'General case' 0 C--N 1.386 2.163 0 CA-C-O 122.513 1.149 . . . . 0.0 109.882 -177.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.63 -96.27 0.11 Allowed Glycine 0 C--N 1.393 3.742 0 N-CA-C 106.276 -2.729 . . . . 0.0 106.276 178.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.38 45.8 t 82.08 -60.45 0.19 Allowed 'General case' 0 C--N 1.385 2.113 0 CA-C-O 121.6 0.715 . . . . 0.0 109.347 -179.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.382 1.986 0 N-CA-C 102.327 -3.212 . . . . 0.0 102.327 177.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.57 3.5 0 N-CA-C 114.559 0.583 . . . . 0.0 114.559 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -70.96 -173.76 0.97 Allowed 'Trans proline' 0 C--N 1.392 2.861 0 C-N-CA 123.681 2.921 . . . . 0.0 116.398 178.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -124.8 146.6 49.15 Favored 'General case' 0 C--N 1.389 2.292 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.567 177.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 2.8 m -122.93 167.95 12.91 Favored 'General case' 0 C--N 1.404 2.943 0 N-CA-C 121.521 3.897 . . . . 0.0 121.521 -155.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.9 t -144.13 163.91 32.21 Favored 'General case' 0 C--N 1.386 2.168 0 CA-C-N 112.481 -2.145 . . . . 0.0 110.943 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -128.43 53.55 1.82 Allowed 'General case' 0 C--N 1.383 2.059 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 174.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.2 t -129.98 161.12 31.64 Favored 'General case' 0 C--N 1.384 2.082 0 CA-C-O 122.203 1.002 . . . . 0.0 111.631 -178.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.478 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 30.2 t0 -75.16 116.57 16.03 Favored 'General case' 0 C--N 1.383 2.044 0 N-CA-C 104.574 -2.38 . . . . 0.0 104.574 173.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.478 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.289 9.0 mptt 73.42 -38.43 0.41 Allowed 'General case' 0 C--N 1.393 2.467 0 C-N-CA 125.928 1.691 . . . . 0.0 112.348 -179.855 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.1 t 57.46 31.97 21.07 Favored 'General case' 0 CA--C 1.588 2.413 0 CA-C-N 120.922 1.692 . . . . 0.0 108.95 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.255 29.2 t30 70.13 -65.72 0.31 Allowed 'General case' 0 C--N 1.393 2.468 0 C-N-CA 130.517 3.527 . . . . 0.0 108.67 -173.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.457 ' OXT' ' NZ ' ' A' ' 24' ' ' LYS . 23.8 tp . . . . . 0 CA--C 1.58 2.11 1 N-CA-C 99.294 -4.335 . . . . 0.0 99.294 -178.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 1 N--CA 1.54 4.051 0 CA-C-O 118.15 -0.929 . . . . 0.0 109.264 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.8 mt -91.85 127.28 44.23 Favored 'Isoleucine or valine' 0 C--N 1.398 2.713 0 CA-C-N 119.836 1.198 . . . . 0.0 109.831 -177.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.0 m -140.87 147.34 38.76 Favored 'General case' 0 C--N 1.391 2.383 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 164.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -77.66 157.61 30.1 Favored 'General case' 0 C--N 1.388 2.271 0 O-C-N 121.038 -1.038 . . . . 0.0 113.775 -169.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -130.81 6.86 4.71 Favored 'General case' 0 C--N 1.387 2.213 0 CA-C-O 117.975 -1.012 . . . . 0.0 112.227 175.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.224 49.5 m-70 -71.17 -159.01 0.04 OUTLIER 'General case' 0 C--N 1.39 2.332 0 C-N-CA 126.382 1.873 . . . . 0.0 113.695 -178.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 mp 71.26 179.11 0.24 Allowed 'General case' 0 C--N 1.39 2.355 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 175.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.05 -46.84 3.67 Favored Glycine 0 C--N 1.389 3.476 0 O-C-N 121.766 -0.584 . . . . 0.0 112.777 -176.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.4 m -172.98 -51.44 0.02 OUTLIER 'General case' 0 C--N 1.379 1.855 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 -173.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.27 141.96 40.38 Favored Pre-proline 0 C--N 1.39 2.331 0 C-N-CA 118.903 -1.119 . . . . 0.0 110.031 -168.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -54.58 152.93 25.32 Favored 'Trans proline' 0 C--N 1.396 3.054 0 C-N-CA 121.594 1.529 . . . . 0.0 113.263 176.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -45.61 137.68 11.59 Favored 'Trans proline' 0 C--N 1.389 2.704 0 C-N-CA 122.742 2.294 . . . . 0.0 115.836 -177.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.259 8.4 p -160.64 124.58 3.53 Favored 'General case' 0 C--N 1.38 1.919 0 N-CA-C 101.719 -3.438 . . . . 0.0 101.719 177.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 60.1 p -122.11 144.55 48.86 Favored 'General case' 0 C--N 1.382 1.996 0 CA-C-O 122.521 1.153 . . . . 0.0 110.544 -169.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -97.26 101.98 13.65 Favored 'General case' 0 C--N 1.386 2.177 0 CA-C-N 114.902 -1.044 . . . . 0.0 108.555 -166.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.4 m -77.96 105.99 9.53 Favored 'General case' 0 C--N 1.393 2.458 0 N-CA-C 101.378 -3.564 . . . . 0.0 101.378 169.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -116.81 150.23 38.67 Favored 'General case' 0 C--N 1.386 2.167 0 CA-C-O 122.609 1.195 . . . . 0.0 111.086 -169.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -72.39 -31.97 66.01 Favored 'General case' 0 C--N 1.382 2.018 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.507 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -61.35 129.73 42.67 Favored 'General case' 0 C--N 1.385 2.133 0 CA-C-O 123.737 1.732 . . . . 0.0 108.944 -174.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.078 47.3 m-20 -50.96 -39.86 56.19 Favored 'General case' 0 C--N 1.385 2.15 0 C-N-CA 130.033 3.333 . . . . 0.0 112.379 -178.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.4 t -117.55 135.44 53.95 Favored 'General case' 0 C--N 1.384 2.071 0 CA-C-O 123.774 1.75 . . . . 0.0 108.909 -172.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.6 p -139.11 146.21 40.41 Favored 'General case' 0 C--N 1.383 2.031 0 CA-C-O 123.335 1.54 . . . . 0.0 109.568 176.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -123.24 164.89 17.88 Favored 'General case' 0 C--N 1.379 1.857 0 N-CA-C 116.21 1.93 . . . . 0.0 116.21 -163.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.424 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 31.0 mttt -111.91 130.29 55.89 Favored 'General case' 0 C--N 1.387 2.215 0 CA-C-O 123.92 1.819 . . . . 0.0 109.377 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.56 ' H ' ' HB3' ' A' ' 35' ' ' ARG . 0.7 OUTLIER -125.89 118.74 26.1 Favored 'General case' 0 CA--C 1.575 1.906 0 N-CA-C 103.037 -2.949 . . . . 0.0 103.037 -178.208 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -135.08 -13.93 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.399 2.743 0 N-CA-C 118.369 2.729 . . . . 0.0 118.369 -154.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.513 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -82.7 -105.19 0.04 OUTLIER 'General case' 0 CA--C 1.587 2.395 1 C-N-CA 133.839 4.856 . . . . 0.0 106.655 176.959 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.1 t 77.31 161.4 0.22 Allowed 'General case' 0 C--N 1.392 2.446 0 C-N-CA 125.384 1.474 . . . . 0.0 112.958 175.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -68.97 -45.73 69.93 Favored 'General case' 0 C--N 1.39 2.352 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.227 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -66.9 -6.67 17.42 Favored 'General case' 0 CA--C 1.579 2.068 0 CA-C-O 116.695 -1.621 . . . . 0.0 112.854 177.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 65.81 71.05 0.43 Allowed 'General case' 0 C--N 1.397 2.67 0 CA-C-N 123.167 2.712 . . . . 0.0 106.673 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.0 tp -163.26 161.51 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.397 2.664 0 C-N-CA 117.164 -1.814 . . . . 0.0 114.914 -172.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.4 mt -97.54 96.92 5.67 Favored 'Isoleucine or valine' 0 C--N 1.392 2.434 0 N-CA-C 105.95 -1.871 . . . . 0.0 105.95 177.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.16 113.05 8.15 Favored 'General case' 0 C--N 1.384 2.103 0 N-CA-C 103.132 -2.914 . . . . 0.0 103.132 -179.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.56 ' HB3' ' H ' ' A' ' 25' ' ' ASN 0.259 0.0 OUTLIER -141.99 -159.74 1.0 Allowed 'General case' 0 C--N 1.383 2.051 0 CA-C-N 113.828 -1.533 . . . . 0.0 112.392 -161.452 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -175.34 -173.66 41.28 Favored Glycine 0 C--N 1.388 3.428 0 C-N-CA 113.907 -3.997 . . . . 0.0 117.357 -174.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.7 p -98.62 125.82 44.01 Favored 'General case' 0 C--N 1.383 2.04 0 CA-C-O 122.528 1.156 . . . . 0.0 109.014 176.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.56 -90.1 0.08 OUTLIER Glycine 0 C--N 1.39 3.57 0 N-CA-C 103.853 -3.699 . . . . 0.0 103.853 178.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.407 34.7 t 77.68 -161.87 0.03 OUTLIER 'General case' 0 C--N 1.382 2.005 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 172.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--N 1.381 1.963 0 CA-C-N 113.315 -1.766 . . . . 0.0 108.837 177.461 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 2.596 0 N-CA-C 109.87 -1.292 . . . . 0.0 109.87 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -76.01 -177.7 3.84 Favored 'Trans proline' 0 C--N 1.381 2.266 0 C-N-CA 121.63 1.553 . . . . 0.0 109.529 171.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 25.0 p90 -109.53 125.49 52.56 Favored 'General case' 0 C--N 1.382 1.985 0 N-CA-C 104.155 -2.535 . . . . 0.0 104.155 174.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.2 m -114.97 156.44 25.06 Favored 'General case' 0 C--N 1.399 2.727 0 N-CA-C 116.03 1.863 . . . . 0.0 116.03 -166.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.7 t -124.91 165.57 17.85 Favored 'General case' 0 C--N 1.381 1.969 0 CA-C-N 113.162 -1.836 . . . . 0.0 110.839 175.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -125.48 45.25 2.63 Favored 'General case' 0 C--N 1.381 1.956 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 175.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.1 t -155.48 173.04 17.24 Favored 'General case' 0 C--N 1.392 2.451 0 CA-C-O 121.95 0.881 . . . . 0.0 111.441 178.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.562 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 26.8 t0 -70.53 111.77 6.3 Favored 'General case' 0 C--N 1.384 2.068 0 C-N-CA 125.027 1.331 . . . . 0.0 107.801 -171.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.562 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.267 8.3 mptt 73.99 -58.01 0.6 Allowed 'General case' 0 C--N 1.397 2.659 0 C-N-CA 126.777 2.031 . . . . 0.0 112.358 177.712 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.267 29.4 m 60.38 59.86 2.16 Favored 'General case' 0 C--N 1.375 1.714 0 C-N-CA 127.556 2.342 . . . . 0.0 107.547 -177.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 72.95 76.17 0.14 Allowed 'General case' 0 C--N 1.388 2.281 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 169.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.424 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 0.3 OUTLIER . . . . . 0 CA--C 1.59 2.509 0 N-CA-C 105.009 -2.219 . . . . 0.0 105.009 177.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.2 ttm105 . . . . . 1 N--CA 1.54 4.074 0 N-CA-C 104.94 -2.244 . . . . 0.0 104.94 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.9 mp -137.86 136.6 45.4 Favored 'Isoleucine or valine' 0 C--N 1.387 2.228 0 CA-C-N 121.688 2.04 . . . . 0.0 108.664 178.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.4 m -142.59 140.31 31.66 Favored 'General case' 0 C--N 1.387 2.207 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 171.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -84.2 165.92 17.99 Favored 'General case' 0 C--N 1.386 2.191 0 O-C-N 120.445 -1.409 . . . . 0.0 112.39 -172.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -142.86 32.87 1.4 Allowed 'General case' 0 C--N 1.385 2.118 0 C-N-CA 119.585 -0.846 . . . . 0.0 110.107 176.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.205 3.0 m-70 -85.0 -170.32 3.08 Favored 'General case' 0 C--N 1.387 2.217 0 C-N-CA 127.143 2.177 . . . . 0.0 115.885 -175.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.0 mt 81.6 179.15 0.08 Allowed 'General case' 0 C--N 1.389 2.319 0 N-CA-C 116.008 1.855 . . . . 0.0 116.008 173.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.26 27.46 30.57 Favored Glycine 0 C--N 1.39 3.541 0 CA-C-O 117.681 -1.621 . . . . 0.0 113.505 -175.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.1 m 87.16 -40.33 0.03 OUTLIER 'General case' 0 C--N 1.394 2.51 0 C-N-CA 129.964 3.306 . . . . 0.0 108.557 -174.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -64.51 142.15 98.37 Favored Pre-proline 0 CA--C 1.58 2.134 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -54.16 160.99 5.6 Favored 'Trans proline' 0 C--N 1.392 2.842 0 C-N-CA 123.31 2.674 . . . . 0.0 118.189 -176.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -63.17 145.09 93.33 Favored 'Trans proline' 0 C--N 1.394 2.97 0 C-N-CA 120.852 1.035 . . . . 0.0 113.536 178.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.8 p -159.84 146.97 16.49 Favored 'General case' 0 C--N 1.384 2.078 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 72.0 p -138.76 147.77 43.04 Favored 'General case' 0 C--N 1.385 2.143 0 CA-C-O 121.948 0.88 . . . . 0.0 111.646 -174.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -111.36 125.16 53.56 Favored 'General case' 0 C--N 1.386 2.184 0 CA-C-O 122.368 1.08 . . . . 0.0 109.579 -171.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 52.1 m -86.02 116.75 24.43 Favored 'General case' 0 C--N 1.386 2.192 0 N-CA-C 103.695 -2.706 . . . . 0.0 103.695 176.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.0 t -112.9 149.58 32.97 Favored 'General case' 0 C--N 1.389 2.298 0 CA-C-O 125.028 2.347 . . . . 0.0 111.755 -171.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -159.34 41.82 0.22 Allowed 'General case' 0 C--N 1.373 1.614 0 CA-C-N 110.726 -2.943 . . . . 0.0 105.217 174.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -109.51 45.93 1.04 Allowed 'General case' 0 C--N 1.394 2.507 0 N-CA-C 105.91 -1.885 . . . . 0.0 105.91 173.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.357 1.1 m-20 69.86 -37.98 0.39 Allowed 'General case' 0 C--N 1.388 2.26 0 C-N-CA 128.004 2.522 . . . . 0.0 114.331 178.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.0 p -160.83 179.94 8.09 Favored 'General case' 0 C--N 1.385 2.12 0 O-C-N 121.031 -1.043 . . . . 0.0 113.461 -173.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.7 p -150.52 150.62 31.5 Favored 'General case' 0 C--N 1.387 2.207 0 CA-C-O 123.056 1.407 . . . . 0.0 111.737 174.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.4 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 39.0 p90 -117.18 154.15 31.61 Favored 'General case' 0 C--N 1.38 1.893 0 CA-C-N 114.611 -1.177 . . . . 0.0 113.56 -170.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.527 ' NZ ' ' OXT' ' A' ' 59' ' ' LEU . 14.1 tppt? -98.4 126.65 44.01 Favored 'General case' 0 C--N 1.383 2.057 0 C-N-CA 125.966 1.706 . . . . 0.0 106.527 175.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.616 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 8.8 t30 -127.39 131.77 50.25 Favored 'General case' 0 CA--C 1.583 2.238 0 N-CA-C 105.081 -2.192 . . . . 0.0 105.081 -174.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -140.34 39.46 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.402 2.89 0 CA-C-O 123.234 1.492 . . . . 0.0 114.275 -151.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.616 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -168.06 -104.77 0.01 OUTLIER 'General case' 0 CA--C 1.588 2.417 0 N-CA-C 105.31 -2.107 . . . . 0.0 105.31 -161.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.433 HG22 HD22 ' A' ' 25' ' ' ASN 0.347 1.0 OUTLIER 85.64 -94.09 0.01 OUTLIER 'General case' 0 CA--C 1.589 2.464 0 C-N-CA 125.088 1.355 . . . . 0.0 109.054 168.673 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -157.84 -50.48 0.07 Allowed 'General case' 0 C--N 1.392 2.418 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 178.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . 0.267 9.8 p30 -75.76 24.02 0.12 Allowed 'General case' 0 CA--C 1.591 2.53 0 C-N-CA 124.593 1.157 . . . . 0.0 110.497 173.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.5 t30 35.69 74.39 0.07 Allowed 'General case' 0 C--N 1.398 2.69 1 C-N-CA 132.251 4.22 . . . . 0.0 105.736 175.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.6 tp -150.08 154.62 8.77 Favored 'Isoleucine or valine' 0 C--N 1.387 2.199 0 CA-C-O 122.59 1.186 . . . . 0.0 111.779 -169.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.9 mp -79.14 113.85 19.06 Favored 'Isoleucine or valine' 0 C--N 1.39 2.337 0 N-CA-C 103.306 -2.85 . . . . 0.0 103.306 168.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.8 ttp85 -159.62 111.38 2.06 Favored 'General case' 0 C--N 1.38 1.918 0 N-CA-C 101.91 -3.367 . . . . 0.0 101.91 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.461 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -141.41 -170.59 3.12 Favored 'General case' 0 C--N 1.38 1.921 0 CA-C-N 114.047 -1.433 . . . . 0.0 113.796 -161.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -176.92 -179.04 47.13 Favored Glycine 0 C--N 1.391 3.584 1 C-N-CA 112.734 -4.555 . . . . 0.0 120.338 -176.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.2 t -69.83 102.33 1.92 Allowed 'General case' 0 C--N 1.38 1.9 0 CA-C-N 110.493 -2.853 . . . . 0.0 108.577 -177.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.5 -111.67 0.26 Allowed Glycine 0 C--N 1.397 3.918 0 N-CA-C 107.421 -2.272 . . . . 0.0 107.421 174.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.488 ' SG ' ' N ' ' A' ' 40' ' ' PHE 2.316 20.7 t 106.04 -170.96 0.0 OUTLIER 'General case' 0 C--N 1.385 2.138 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 176.496 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.488 ' N ' ' SG ' ' A' ' 39' ' ' CYS 0.259 0.1 OUTLIER . . . . . 0 C--N 1.379 1.881 0 CA-C-N 113.692 -1.595 . . . . 0.0 108.297 172.159 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.554 2.489 0 CA-C-O 121.635 0.575 . . . . 0.0 114.535 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -82.69 178.42 6.11 Favored 'Trans proline' 0 C--N 1.387 2.563 0 C-N-CA 122.779 2.319 . . . . 0.0 110.02 176.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -117.27 146.61 43.19 Favored 'General case' 0 C--N 1.388 2.266 0 CA-C-O 118.652 -0.69 . . . . 0.0 110.151 179.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 4.1 m -135.6 162.77 31.77 Favored 'General case' 0 C--N 1.405 2.995 0 N-CA-C 120.258 3.429 . . . . 0.0 120.258 -162.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.0 t -142.1 152.14 42.98 Favored 'General case' 0 C--N 1.39 2.348 0 CA-C-N 113.27 -1.786 . . . . 0.0 110.881 179.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -123.89 51.65 1.52 Allowed 'General case' 0 C--N 1.388 2.273 0 O-C-N 121.391 -0.818 . . . . 0.0 110.827 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 54.3 p -152.45 169.76 21.79 Favored 'General case' 0 C--N 1.381 1.975 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.596 177.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -66.95 110.33 3.31 Favored 'General case' 0 CA--C 1.589 2.455 0 CA-C-O 122.867 1.318 . . . . 0.0 109.745 -167.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.314 0.0 OUTLIER 69.85 -70.7 0.14 Allowed 'General case' 0 C--N 1.396 2.597 0 C-N-CA 129.655 3.182 . . . . 0.0 111.5 -175.42 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 16.3 m 78.93 -47.87 0.42 Allowed 'General case' 0 C--N 1.382 2.015 0 C-N-CA 127.491 2.316 . . . . 0.0 109.52 -173.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -162.1 69.7 0.29 Allowed 'General case' 0 C--N 1.389 2.3 0 N-CA-C 105.371 -2.085 . . . . 0.0 105.371 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.527 ' OXT' ' NZ ' ' A' ' 24' ' ' LYS . 3.3 mm? . . . . . 0 CA--C 1.598 2.812 0 CA-C-O 115.579 -2.153 . . . . 0.0 109.63 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.41 ' HG3' HH11 ' A' ' 1' ' ' ARG . 35.3 mtt85 . . . . . 0 N--CA 1.532 3.634 0 N-CA-C 106.388 -1.708 . . . . 0.0 106.388 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.3 mp -140.04 128.91 27.02 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.107 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 177.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.3 m -137.68 151.97 48.81 Favored 'General case' 0 CA--C 1.594 2.662 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 168.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -111.58 148.22 33.76 Favored 'General case' 0 C--N 1.397 2.633 0 O-C-N 120.859 -1.151 . . . . 0.0 114.044 -165.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -123.43 24.03 8.78 Favored 'General case' 0 C--N 1.383 2.036 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.357 -176.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.212 58.1 m-70 -86.27 -153.48 0.19 Allowed 'General case' 0 C--N 1.39 2.369 0 C-N-CA 128.469 2.708 . . . . 0.0 113.334 177.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.261 32.9 mt 67.16 -174.17 0.19 Allowed 'General case' 0 C--N 1.39 2.355 0 CA-C-O 121.901 0.858 . . . . 0.0 110.798 -178.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.12 -71.35 3.0 Favored Glycine 0 C--N 1.384 3.197 0 N-CA-C 104.865 -3.294 . . . . 0.0 104.865 -166.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.8 m 173.81 -45.99 0.01 OUTLIER 'General case' 0 C--N 1.391 2.394 0 C-N-CA 125.096 1.358 . . . . 0.0 107.776 177.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -52.03 153.17 4.87 Favored Pre-proline 0 CA--C 1.587 2.384 0 CA-C-O 121.636 0.731 . . . . 0.0 110.22 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -55.66 159.44 11.27 Favored 'Trans proline' 0 C--N 1.399 3.226 0 N-CA-C 116.258 1.599 . . . . 0.0 116.258 -171.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -68.37 144.31 61.37 Favored 'Trans proline' 0 C--N 1.399 3.194 0 CA-C-O 124.116 1.632 . . . . 0.0 115.645 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.2 p -146.69 129.32 16.07 Favored 'General case' 0 C--N 1.378 1.813 0 N-CA-C 102.874 -3.01 . . . . 0.0 102.874 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 46.3 p -132.87 145.99 51.42 Favored 'General case' 0 C--N 1.38 1.924 0 O-C-N 121.169 -0.957 . . . . 0.0 109.513 -168.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -107.16 95.26 5.59 Favored 'General case' 0 C--N 1.381 1.968 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 -172.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.4 m -79.44 106.4 11.45 Favored 'General case' 0 C--N 1.393 2.47 0 N-CA-C 102.014 -3.328 . . . . 0.0 102.014 166.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.0 t -119.19 155.83 30.96 Favored 'General case' 0 C--N 1.385 2.115 0 C-N-CA 124.211 1.004 . . . . 0.0 111.827 -174.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.91 42.47 2.17 Favored 'General case' 0 C--N 1.376 1.742 0 C-N-CA 125.73 1.612 . . . . 0.0 111.227 -177.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -119.34 158.74 25.52 Favored 'General case' 0 C--N 1.389 2.286 0 CA-C-O 122.327 1.061 . . . . 0.0 113.862 -176.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.087 1.3 m-20 -45.94 -49.24 16.0 Favored 'General case' 0 C--N 1.384 2.095 0 C-N-CA 128.573 2.749 . . . . 0.0 109.363 178.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 65.9 m -131.94 145.05 51.26 Favored 'General case' 0 C--N 1.392 2.427 0 CA-C-O 123.397 1.57 . . . . 0.0 113.108 -175.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.337 12.1 p -135.66 137.46 41.84 Favored 'General case' 0 C--N 1.385 2.152 0 CA-C-O 123.759 1.742 . . . . 0.0 108.154 167.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -119.25 160.1 22.83 Favored 'General case' 0 C--N 1.379 1.863 0 CA-C-N 113.659 -1.61 . . . . 0.0 114.582 -161.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -101.12 126.98 47.87 Favored 'General case' 0 C--N 1.386 2.16 0 CA-C-N 112.575 -2.102 . . . . 0.0 107.547 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.582 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 5.6 t30 -118.97 126.29 51.4 Favored 'General case' 0 CA--C 1.579 2.084 0 N-CA-C 102.753 -3.054 . . . . 0.0 102.753 179.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.7 -11.64 3.7 Favored 'Isoleucine or valine' 0 C--N 1.401 2.814 0 N-CA-C 117.859 2.54 . . . . 0.0 117.859 -150.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.582 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -94.22 -107.43 0.13 Allowed 'General case' 0 CA--C 1.588 2.436 1 C-N-CA 133.594 4.758 . . . . 0.0 107.973 -174.254 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.5 t 77.2 151.87 0.13 Allowed 'General case' 0 C--N 1.39 2.367 0 C-N-CA 125.959 1.704 . . . . 0.0 114.104 173.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -56.93 -40.49 76.45 Favored 'General case' 0 C--N 1.393 2.478 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.792 175.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -80.09 4.05 18.46 Favored 'General case' 0 CA--C 1.575 1.937 0 C-N-CA 126.38 1.872 . . . . 0.0 112.915 -176.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 62.83 68.68 0.63 Allowed 'General case' 0 C--N 1.399 2.755 0 CA-C-N 122.851 2.569 . . . . 0.0 106.278 174.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 tp -166.18 162.99 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.394 2.533 0 C-N-CA 116.358 -2.137 . . . . 0.0 114.128 -170.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 74.7 mt -98.88 105.9 18.06 Favored 'Isoleucine or valine' 0 C--N 1.389 2.288 0 N-CA-C 103.956 -2.609 . . . . 0.0 103.956 175.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.543 HH11 ' HG2' ' A' ' 34' ' ' ARG . 6.3 ttp85 -142.13 113.21 7.53 Favored 'General case' 0 C--N 1.387 2.228 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 -171.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.11 -170.76 3.49 Favored 'General case' 0 C--N 1.397 2.673 0 N-CA-C 115.28 1.585 . . . . 0.0 115.28 -153.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 179.18 -163.82 31.6 Favored Glycine 0 C--N 1.397 3.956 0 C-N-CA 114.328 -3.796 . . . . 0.0 117.526 -169.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.8 p -95.55 118.37 32.14 Favored 'General case' 0 C--N 1.395 2.576 0 CA-C-O 123.334 1.54 . . . . 0.0 111.421 -176.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.21 -98.69 0.11 Allowed Glycine 0 C--N 1.393 3.717 0 N-CA-C 105.089 -3.204 . . . . 0.0 105.089 176.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.359 8.1 t 74.99 -150.73 0.04 OUTLIER 'General case' 0 C--N 1.39 2.327 0 C-N-CA 118.658 -1.217 . . . . 0.0 111.529 -178.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 . . . . . 0 C--N 1.382 1.999 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.21 178.279 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.561 2.93 0 N-CA-C 111.742 -0.543 . . . . 0.0 111.742 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -70.36 174.64 9.74 Favored 'Trans proline' 0 C--N 1.389 2.706 0 C-N-CA 120.829 1.019 . . . . 0.0 114.535 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.435 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -101.62 122.4 43.79 Favored 'General case' 0 CA--C 1.579 2.074 0 N-CA-C 104.789 -2.3 . . . . 0.0 104.789 178.433 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.11 156.37 25.34 Favored 'General case' 0 C--N 1.396 2.587 0 O-C-N 120.693 -1.254 . . . . 0.0 114.349 -169.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.3 t -136.67 162.92 31.82 Favored 'General case' 0 C--N 1.383 2.031 0 CA-C-N 114.13 -1.395 . . . . 0.0 111.539 -175.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -133.04 48.04 2.44 Favored 'General case' 0 C--N 1.385 2.128 0 CA-C-O 121.739 0.781 . . . . 0.0 110.053 -178.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.42 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 23.6 t -143.6 153.24 42.33 Favored 'General case' 0 C--N 1.382 1.985 0 C-N-CA 125.227 1.411 . . . . 0.0 107.88 177.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.521 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 42.2 t0 -64.8 125.78 25.87 Favored 'General case' 0 CA--C 1.584 2.26 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 -178.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.521 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.288 2.4 mptt 73.71 -60.0 0.54 Allowed 'General case' 0 C--N 1.398 2.693 0 C-N-CA 127.588 2.355 . . . . 0.0 111.88 -178.367 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 54' ' ' SER . 73.3 m 62.15 50.45 3.96 Favored 'General case' 0 C--N 1.38 1.921 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 -171.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 41.2 t30 64.71 83.51 0.17 Allowed 'General case' 0 C--N 1.391 2.405 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 44.7 mt . . . . . 0 CA--C 1.6 2.882 0 C-N-CA 125.847 1.659 . . . . 0.0 109.249 177.141 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 1 N--CA 1.544 4.239 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.2 mp -83.59 127.47 39.71 Favored 'Isoleucine or valine' 0 C--N 1.398 2.705 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 178.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.1 m -144.17 139.97 29.09 Favored 'General case' 0 C--N 1.387 2.222 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 173.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -82.89 164.58 20.4 Favored 'General case' 0 C--N 1.386 2.178 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -166.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -149.33 49.34 0.96 Allowed 'General case' 0 C--N 1.389 2.308 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 173.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.211 13.0 m170 -89.52 -149.89 0.2 Allowed 'General case' 0 C--N 1.386 2.194 0 C-N-CA 125.659 1.584 . . . . 0.0 109.874 177.267 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.585 HD13 HD11 ' A' ' 32' ' ' ILE . 11.4 mt 64.0 -172.57 0.17 Allowed 'General case' 0 C--N 1.383 2.03 0 CA-C-O 122.212 1.006 . . . . 0.0 112.584 174.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.52 -47.33 3.03 Favored Glycine 0 C--N 1.386 3.336 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -173.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.6 m 178.16 -37.79 0.01 OUTLIER 'General case' 0 C--N 1.385 2.149 0 C-N-CA 126.967 2.107 . . . . 0.0 105.992 -177.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -106.68 122.62 41.25 Favored Pre-proline 0 C--N 1.386 2.153 0 C-N-CA 126.477 1.911 . . . . 0.0 110.507 -174.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -88.55 2.41 6.14 Favored 'Trans proline' 0 C--N 1.407 3.63 0 N-CA-C 120.928 3.395 . . . . 0.0 120.928 176.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -82.4 -23.37 4.24 Favored 'Trans proline' 0 C--N 1.405 3.537 1 N-CA-C 126.492 5.536 . . . . 0.0 126.492 -173.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.9 p -84.56 129.49 34.84 Favored 'General case' 0 C--N 1.394 2.526 0 CA-C-N 125.483 3.765 . . . . 0.0 113.166 -176.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 78.0 p -123.37 142.55 50.86 Favored 'General case' 0 C--N 1.379 1.888 0 C-N-CA 127.881 2.472 . . . . 0.0 106.41 171.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -113.62 102.13 9.99 Favored 'General case' 0 C--N 1.381 1.956 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 -170.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 t -69.13 122.08 18.05 Favored 'General case' 0 C--N 1.4 2.766 0 N-CA-C 103.476 -2.787 . . . . 0.0 103.476 169.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.1 t -137.19 148.12 46.34 Favored 'General case' 0 C--N 1.39 2.327 0 CA-C-O 124.592 2.139 . . . . 0.0 112.191 -172.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.5 pm0 -94.74 -6.54 42.87 Favored 'General case' 0 C--N 1.374 1.649 0 CA-C-N 112.053 -2.34 . . . . 0.0 111.091 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -68.67 114.94 7.48 Favored 'General case' 0 C--N 1.393 2.486 0 N-CA-C 103.069 -2.937 . . . . 0.0 103.069 175.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.183 70.9 m-20 -60.32 1.47 0.12 Allowed 'General case' 0 C--N 1.388 2.242 0 C-N-CA 127.584 2.354 . . . . 0.0 113.667 -177.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.9 p -147.57 144.03 28.18 Favored 'General case' 0 C--N 1.382 1.997 0 N-CA-C 106.517 -1.661 . . . . 0.0 106.517 175.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.4 p -136.33 149.84 48.58 Favored 'General case' 0 C--N 1.381 1.96 0 CA-C-O 123.894 1.807 . . . . 0.0 111.12 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.403 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 40.2 p90 -116.62 150.67 37.7 Favored 'General case' 0 C--N 1.378 1.843 0 CA-C-N 112.845 -1.98 . . . . 0.0 114.134 -163.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.481 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -116.19 116.26 27.49 Favored 'General case' 0 C--N 1.388 2.264 0 CA-C-O 124.066 1.889 . . . . 0.0 106.798 179.72 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.32 107.92 14.97 Favored 'General case' 0 CA--C 1.584 2.276 0 N-CA-C 101.922 -3.362 . . . . 0.0 101.922 -175.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -109.25 -25.25 3.67 Favored 'Isoleucine or valine' 0 C--N 1.398 2.714 0 N-CA-C 118.531 2.789 . . . . 0.0 118.531 -157.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.605 ' N ' ' CD1' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -73.54 -102.13 0.01 OUTLIER 'General case' 0 CA--C 1.584 2.286 1 C-N-CA 134.577 5.151 . . . . 0.0 107.675 177.559 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.1 t 77.45 159.27 0.2 Allowed 'General case' 0 C--N 1.392 2.45 0 C-N-CA 125.367 1.467 . . . . 0.0 112.322 177.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -73.59 -35.53 65.42 Favored 'General case' 0 C--N 1.389 2.31 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.578 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.467 ' CG ' HH21 ' A' ' 34' ' ' ARG . 42.0 p-10 -79.17 3.38 17.89 Favored 'General case' 0 CA--C 1.586 2.34 0 C-N-CA 125.367 1.467 . . . . 0.0 112.116 174.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 64.27 69.75 0.52 Allowed 'General case' 0 C--N 1.396 2.612 0 C-N-CA 127.08 2.152 . . . . 0.0 109.323 169.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.585 HD11 HD13 ' A' ' 7' ' ' LEU . 3.4 tp -168.09 163.53 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.392 2.428 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 -174.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.6 mt -84.35 102.71 10.7 Favored 'Isoleucine or valine' 0 C--N 1.391 2.409 0 N-CA-C 105.191 -2.151 . . . . 0.0 105.191 170.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.583 HH11 ' HG2' ' A' ' 34' ' ' ARG . 1.7 ttp85 -146.0 111.67 5.54 Favored 'General case' 0 C--N 1.383 2.038 0 N-CA-C 102.084 -3.302 . . . . 0.0 102.084 -179.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.6 -167.84 2.26 Favored 'General case' 0 C--N 1.393 2.458 0 CA-C-N 113.663 -1.608 . . . . 0.0 112.571 -155.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 175.22 -165.41 36.41 Favored Glycine 0 C--N 1.391 3.616 0 C-N-CA 114.221 -3.847 . . . . 0.0 118.021 -175.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.8 p -85.55 122.01 29.06 Favored 'General case' 0 C--N 1.386 2.156 0 CA-C-O 122.363 1.078 . . . . 0.0 111.154 -177.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.41 -102.1 0.15 Allowed Glycine 0 C--N 1.397 3.935 0 N-CA-C 106.551 -2.62 . . . . 0.0 106.551 175.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.353 0.5 OUTLIER 77.6 -160.5 0.03 OUTLIER 'General case' 0 C--N 1.39 2.354 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 175.456 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 . . . . . 0 C--N 1.386 2.167 0 N-CA-C 105.249 -2.13 . . . . 0.0 105.249 -179.459 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 2.539 0 N-CA-C 114.43 0.532 . . . . 0.0 114.43 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.403 ' HB2' ' HB2' ' A' ' 23' ' ' TYR 0.25 16.8 Cg_exo -52.51 171.07 0.22 Allowed 'Trans proline' 0 C--N 1.394 2.947 0 C-N-CA 122.602 2.201 . . . . 0.0 112.252 164.127 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . 0.34 29.9 p90 -81.23 126.76 31.92 Favored 'General case' 0 C--N 1.389 2.322 0 C-N-CA 116.071 -2.252 . . . . 0.0 105.6 176.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 43.1 t -119.26 132.87 55.97 Favored 'General case' 0 C--N 1.389 2.292 0 CA-C-O 122.423 1.106 . . . . 0.0 110.93 -166.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 9.9 t -120.53 161.1 21.87 Favored 'General case' 0 C--N 1.386 2.161 0 C-N-CA 124.494 1.118 . . . . 0.0 112.266 -178.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -129.61 50.97 2.11 Favored 'General case' 0 C--N 1.384 2.107 0 CA-C-O 121.9 0.857 . . . . 0.0 110.484 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.1 t -147.58 -174.36 4.52 Favored 'General case' 0 C--N 1.384 2.079 0 CA-C-O 122.076 0.941 . . . . 0.0 109.904 175.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.506 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 25.5 t0 -72.4 111.11 7.3 Favored 'General case' 0 CA--C 1.59 2.502 0 N-CA-C 107.07 -1.456 . . . . 0.0 107.07 -173.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.506 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.294 10.0 mptt 76.12 -72.52 0.1 Allowed 'General case' 0 C--N 1.4 2.782 0 C-N-CA 125.843 1.657 . . . . 0.0 110.977 176.042 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 43.5 m 66.15 63.0 0.57 Allowed 'General case' 0 C--N 1.38 1.894 0 C-N-CA 125.501 1.52 . . . . 0.0 107.701 -178.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 13.1 t30 62.74 79.53 0.26 Allowed 'General case' 0 C--N 1.389 2.285 0 N-CA-C 105.95 -1.87 . . . . 0.0 105.95 175.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.481 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 57.9 mt . . . . . 0 CA--C 1.595 2.699 0 C-N-CA 124.958 1.303 . . . . 0.0 108.427 177.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 1 N--CA 1.543 4.185 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.4 mp -107.69 133.61 51.95 Favored 'Isoleucine or valine' 0 C--N 1.387 2.204 0 CA-C-O 122.334 1.064 . . . . 0.0 109.464 -178.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 91.9 m -139.57 168.54 19.59 Favored 'General case' 0 C--N 1.385 2.145 0 CA-C-O 122.391 1.091 . . . . 0.0 109.081 163.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -78.78 145.19 34.49 Favored 'General case' 0 C--N 1.377 1.792 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.145 -177.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -133.3 31.66 3.76 Favored 'General case' 0 C--N 1.386 2.184 0 O-C-N 121.242 -0.911 . . . . 0.0 110.86 174.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.196 1.8 m-70 -78.38 -168.41 1.33 Allowed 'General case' 0 C--N 1.385 2.141 0 C-N-CA 125.048 1.339 . . . . 0.0 114.222 -177.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 54.6 mt 69.86 -179.3 0.23 Allowed 'General case' 0 C--N 1.389 2.301 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 172.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.18 20.41 55.17 Favored Glycine 0 C--N 1.385 3.295 0 CA-C-O 117.186 -1.897 . . . . 0.0 113.816 -174.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.3 m 106.37 -37.54 0.01 OUTLIER 'General case' 0 C--N 1.393 2.462 0 C-N-CA 130.532 3.533 . . . . 0.0 110.115 176.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -84.96 162.17 50.47 Favored Pre-proline 0 C--N 1.383 2.047 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -177.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -71.51 164.72 34.78 Favored 'Trans proline' 0 C--N 1.4 3.284 0 N-CA-C 117.051 1.904 . . . . 0.0 117.051 -168.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.8 OUTLIER -53.32 142.54 56.82 Favored 'Trans proline' 0 C--N 1.395 3.01 0 C-N-CA 123.146 2.564 . . . . 0.0 116.059 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.265 70.6 p -167.08 155.23 9.6 Favored 'General case' 0 C--N 1.39 2.354 0 C-N-CA 125.205 1.402 . . . . 0.0 108.02 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.6 p -132.92 149.27 52.26 Favored 'General case' 0 C--N 1.38 1.912 0 CA-C-O 123.148 1.452 . . . . 0.0 109.035 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -111.84 87.03 2.46 Favored 'General case' 0 C--N 1.378 1.846 0 N-CA-C 105.689 -1.967 . . . . 0.0 105.689 -167.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.6 m -79.78 101.77 8.66 Favored 'General case' 0 C--N 1.392 2.447 0 N-CA-C 103.585 -2.746 . . . . 0.0 103.585 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 39.6 t -125.82 164.64 20.25 Favored 'General case' 0 C--N 1.39 2.334 0 CA-C-O 123.081 1.42 . . . . 0.0 114.732 -165.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -85.58 -23.2 27.72 Favored 'General case' 0 C--N 1.38 1.935 0 CA-C-N 113.555 -1.657 . . . . 0.0 113.321 -176.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -71.86 137.78 47.75 Favored 'General case' 0 C--N 1.388 2.257 0 CA-C-O 123.264 1.507 . . . . 0.0 109.195 -175.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.15 30.3 m-20 -46.4 -50.47 16.59 Favored 'General case' 0 C--N 1.384 2.095 0 C-N-CA 128.983 2.913 . . . . 0.0 111.063 -175.265 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.9 t -116.73 140.22 49.67 Favored 'General case' 0 C--N 1.381 1.946 0 CA-C-O 123.854 1.788 . . . . 0.0 109.986 -172.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.5 p -134.34 147.68 50.6 Favored 'General case' 0 C--N 1.383 2.025 0 CA-C-O 123.503 1.62 . . . . 0.0 109.853 177.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -122.12 165.94 15.31 Favored 'General case' 0 C--N 1.381 1.938 0 N-CA-C 116.661 2.097 . . . . 0.0 116.661 -160.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.463 ' NZ ' ' OXT' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -114.49 116.07 28.26 Favored 'General case' 0 C--N 1.385 2.141 0 CA-C-N 112.83 -1.987 . . . . 0.0 106.675 -178.734 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.617 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 3.8 t30 -118.27 121.92 41.65 Favored 'General case' 0 C--N 1.382 1.991 0 N-CA-C 103.925 -2.62 . . . . 0.0 103.925 -179.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -132.51 -27.1 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.403 2.919 0 N-CA-C 117.649 2.463 . . . . 0.0 117.649 -154.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.617 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -69.1 -114.28 0.0 OUTLIER 'General case' 0 CA--C 1.603 2.985 1 C-N-CA 133.21 4.604 . . . . 0.0 108.52 173.399 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.1 t 81.8 154.12 0.11 Allowed 'General case' 0 C--N 1.396 2.62 0 C-N-CA 126.32 1.848 . . . . 0.0 112.613 178.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.5 p90 -69.09 -31.99 71.11 Favored 'General case' 0 C--N 1.397 2.642 0 O-C-N 121.611 -0.681 . . . . 0.0 110.811 176.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -76.93 -4.54 44.43 Favored 'General case' 0 CA--C 1.579 2.069 0 CA-C-O 117.504 -1.236 . . . . 0.0 111.315 173.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.4 t30 58.16 73.68 0.46 Allowed 'General case' 0 C--N 1.397 2.632 0 CA-C-N 121.97 2.168 . . . . 0.0 105.345 176.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.4 tp -158.56 153.67 5.64 Favored 'Isoleucine or valine' 0 C--N 1.389 2.29 0 C-N-CA 118.765 -1.174 . . . . 0.0 111.602 -170.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -89.22 121.72 39.69 Favored 'Isoleucine or valine' 0 C--N 1.39 2.35 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 175.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.51 HH11 ' HG2' ' A' ' 34' ' ' ARG . 7.1 ttp85 -163.36 95.59 0.84 Allowed 'General case' 0 C--N 1.387 2.209 0 N-CA-C 101.453 -3.536 . . . . 0.0 101.453 -173.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.56 HH11 ' HG2' ' A' ' 35' ' ' ARG . 11.9 ptt-85 -138.93 -169.71 2.7 Favored 'General case' 0 C--N 1.378 1.836 0 CA-C-N 111.505 -2.589 . . . . 0.0 112.005 -159.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 165.21 -165.3 37.68 Favored Glycine 0 C--N 1.394 3.751 0 C-N-CA 114.255 -3.831 . . . . 0.0 119.126 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.6 p -81.83 127.05 32.58 Favored 'General case' 0 C--N 1.393 2.488 0 CA-C-O 123.418 1.58 . . . . 0.0 110.982 -178.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.73 -75.62 0.04 OUTLIER Glycine 0 C--N 1.387 3.416 0 N-CA-C 103.963 -3.655 . . . . 0.0 103.963 171.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.478 ' SG ' ' N ' ' A' ' 40' ' ' PHE 2.426 52.6 t 72.0 -173.33 0.16 Allowed 'General case' 0 C--N 1.383 2.026 0 CA-C-N 112.165 -2.018 . . . . 0.0 113.167 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.478 ' N ' ' SG ' ' A' ' 39' ' ' CYS . 4.3 m-85 . . . . . 0 CA--C 1.572 1.8 0 CA-C-N 113.474 -1.694 . . . . 0.0 110.351 170.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.555 2.558 0 N-CA-C 109.864 -1.294 . . . . 0.0 109.864 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -80.56 159.25 22.22 Favored 'Trans proline' 0 C--N 1.38 2.223 0 CA-C-O 123.078 1.199 . . . . 0.0 113.492 -175.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -82.2 142.82 31.85 Favored 'General case' 0 C--N 1.388 2.28 0 CA-C-N 113.757 -1.565 . . . . 0.0 108.161 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.7 m -127.93 152.6 47.68 Favored 'General case' 0 C--N 1.389 2.316 0 CA-C-O 123.859 1.79 . . . . 0.0 115.54 -172.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 8.7 t -126.03 164.41 20.91 Favored 'General case' 0 C--N 1.377 1.77 0 CA-C-N 112.117 -2.31 . . . . 0.0 108.444 170.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -127.21 34.07 4.79 Favored 'General case' 0 C--N 1.377 1.773 0 O-C-N 121.403 -0.811 . . . . 0.0 110.452 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.2 t -129.41 170.58 13.49 Favored 'General case' 0 C--N 1.378 1.825 0 C-N-CA 124.294 1.038 . . . . 0.0 110.208 178.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.481 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 43.3 t0 -76.65 122.05 24.12 Favored 'General case' 0 C--N 1.391 2.377 0 C-N-CA 117.816 -1.554 . . . . 0.0 108.039 -169.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.481 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 28.3 mmtm 74.11 -56.37 0.64 Allowed 'General case' 0 C--N 1.391 2.41 0 C-N-CA 126.448 1.899 . . . . 0.0 109.174 178.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 29.9 t 47.53 57.1 6.21 Favored 'General case' 0 C--N 1.382 2.018 0 C-N-CA 128.761 2.824 . . . . 0.0 106.694 176.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 69.6 71.09 0.24 Allowed 'General case' 0 C--N 1.388 2.258 0 C-N-CA 124.869 1.268 . . . . 0.0 109.018 171.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.463 ' OXT' ' NZ ' ' A' ' 24' ' ' LYS . 25.2 mt . . . . . 0 CA--C 1.61 3.282 0 C-N-CA 126.499 1.92 . . . . 0.0 114.9 164.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.532 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.533 3.715 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 36.2 mt -90.05 131.24 37.81 Favored 'Isoleucine or valine' 0 C--N 1.392 2.415 0 CA-C-O 122.646 1.213 . . . . 0.0 108.93 -177.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.7 p -141.7 140.65 33.22 Favored 'General case' 0 C--N 1.381 1.972 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 167.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -75.84 -174.4 2.6 Favored 'General case' 0 C--N 1.394 2.537 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -167.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -155.22 47.15 0.52 Allowed 'General case' 0 C--N 1.387 2.223 0 N-CA-C 105.817 -1.919 . . . . 0.0 105.817 171.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.185 24.3 m170 -87.81 -144.61 0.13 Allowed 'General case' 0 C--N 1.388 2.257 0 C-N-CA 126.977 2.111 . . . . 0.0 110.688 178.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.29 5.3 mp 63.79 -179.13 0.16 Allowed 'General case' 0 C--N 1.386 2.181 0 CA-C-O 123.137 1.446 . . . . 0.0 111.405 179.127 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.8 -3.96 67.43 Favored Glycine 0 CA--C 1.57 3.489 0 CA-C-O 117.407 -1.774 . . . . 0.0 113.02 -172.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.2 m 107.22 -44.88 0.0 OUTLIER 'General case' 0 C--N 1.392 2.421 1 C-N-CA 132.209 4.204 . . . . 0.0 107.919 -176.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.488 ' NZ ' ' CG ' ' A' ' 30' ' ' ASP . 1.8 mptt -60.01 133.03 89.86 Favored Pre-proline 0 CA--C 1.602 2.947 0 C-N-CA 125.04 1.336 . . . . 0.0 108.833 179.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -103.31 -5.06 0.24 Allowed 'Trans proline' 1 C--N 1.415 4.064 0 N-CA-C 122.075 3.836 . . . . 0.0 122.075 -176.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_exo -90.81 -28.55 0.2 Allowed 'Trans proline' 0 C--N 1.408 3.708 1 N-CA-C 127.995 6.114 . . . . 0.0 127.995 -170.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.3 p -81.05 139.04 35.95 Favored 'General case' 0 C--N 1.392 2.421 0 CA-C-N 124.543 3.338 . . . . 0.0 115.261 -172.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 52.8 p -129.53 164.77 23.05 Favored 'General case' 0 CA--C 1.577 1.998 0 C-N-CA 128.954 2.902 . . . . 0.0 108.871 170.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -132.94 101.76 5.37 Favored 'General case' 0 C--N 1.388 2.267 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -176.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.3 m -79.38 104.27 9.88 Favored 'General case' 0 C--N 1.395 2.555 0 N-CA-C 102.777 -3.045 . . . . 0.0 102.777 170.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -121.91 148.9 44.16 Favored 'General case' 0 C--N 1.387 2.223 0 CA-C-O 123.034 1.397 . . . . 0.0 111.438 -170.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -105.9 -10.39 16.66 Favored 'General case' 0 C--N 1.374 1.665 0 CA-C-N 113.81 -1.541 . . . . 0.0 110.1 174.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -70.3 105.91 3.16 Favored 'General case' 0 C--N 1.399 2.731 0 N-CA-C 102.038 -3.319 . . . . 0.0 102.038 168.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 1' ' ' ARG 2.154 90.1 m-20 -52.46 0.64 0.01 OUTLIER 'General case' 0 C--N 1.387 2.217 1 C-N-CA 131.722 4.009 . . . . 0.0 117.168 -170.587 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 60.4 p -147.26 147.74 30.72 Favored 'General case' 0 C--N 1.38 1.898 0 CA-C-N 121.696 2.043 . . . . 0.0 107.71 175.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.4 p -140.57 151.76 44.96 Favored 'General case' 0 C--N 1.381 1.972 0 CA-C-O 123.797 1.76 . . . . 0.0 112.334 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -113.92 160.13 19.13 Favored 'General case' 0 C--N 1.379 1.873 0 CA-C-N 112.625 -2.08 . . . . 0.0 114.49 -164.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.46 ' NZ ' ' OXT' ' A' ' 59' ' ' LEU . 28.8 mttt -116.86 107.45 14.63 Favored 'General case' 0 C--N 1.378 1.82 0 N-CA-C 102.954 -2.98 . . . . 0.0 102.954 -177.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.445 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 0.4 OUTLIER -115.25 120.79 40.85 Favored 'General case' 0 CA--C 1.577 2.013 0 N-CA-C 102.965 -2.976 . . . . 0.0 102.965 -171.821 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -120.67 -12.21 9.24 Favored 'Isoleucine or valine' 0 C--N 1.395 2.579 0 N-CA-C 117.741 2.497 . . . . 0.0 117.741 -153.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.445 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -101.41 28.24 5.64 Favored 'General case' 0 CA--C 1.566 1.587 1 C-N-CA 135.998 5.719 . . . . 0.0 112.114 -178.018 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.94 178.66 7.28 Favored 'General case' 0 C--N 1.391 2.412 0 CA-C-N 121.69 2.041 . . . . 0.0 112.407 -176.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -59.43 -43.9 92.99 Favored 'General case' 0 C--N 1.383 2.047 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.001 -177.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.488 ' CG ' ' NZ ' ' A' ' 10' ' ' LYS . 65.8 m-20 -69.51 0.34 5.43 Favored 'General case' 0 CA--C 1.594 2.644 0 CA-C-O 117.729 -1.129 . . . . 0.0 110.19 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 60.08 74.04 0.46 Allowed 'General case' 0 C--N 1.4 2.763 0 N-CA-C 104.19 -2.522 . . . . 0.0 104.19 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.6 tp -167.06 166.08 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.399 2.75 0 C-N-CA 115.687 -2.405 . . . . 0.0 115.097 -162.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.7 mm -88.11 95.74 5.41 Favored 'Isoleucine or valine' 0 C--N 1.387 2.235 0 N-CA-C 104.282 -2.488 . . . . 0.0 104.282 172.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.553 HH11 ' HG2' ' A' ' 34' ' ' ARG . 10.8 ttp85 -145.9 127.85 15.48 Favored 'General case' 0 C--N 1.385 2.149 0 N-CA-C 103.974 -2.602 . . . . 0.0 103.974 -177.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.441 HH22 ' C ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -168.58 -165.79 0.61 Allowed 'General case' 0 C--N 1.399 2.755 0 C-N-CA 116.309 -2.156 . . . . 0.0 114.697 -146.189 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 169.53 -167.03 40.18 Favored Glycine 0 C--N 1.394 3.782 0 C-N-CA 115.022 -3.466 . . . . 0.0 117.203 -175.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 35.8 m -68.73 123.46 20.98 Favored 'General case' 0 C--N 1.388 2.277 0 CA-C-O 123.317 1.532 . . . . 0.0 111.027 -177.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.2 -111.59 0.26 Allowed Glycine 0 C--N 1.393 3.717 0 N-CA-C 105.185 -3.166 . . . . 0.0 105.185 170.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.405 22.2 t 75.59 -42.09 0.46 Allowed 'General case' 0 C--N 1.391 2.411 0 C-N-CA 124.693 1.197 . . . . 0.0 112.515 173.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 . . . . . 0 CA--C 1.591 2.529 0 N-CA-C 103.419 -2.808 . . . . 0.0 103.419 172.499 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.554 2.497 0 N-CA-C 112.089 -0.404 . . . . 0.0 112.089 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -64.98 153.71 76.91 Favored 'Trans proline' 0 C--N 1.39 2.752 0 CA-C-O 122.978 1.158 . . . . 0.0 114.179 178.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -86.08 135.09 33.76 Favored 'General case' 0 C--N 1.382 2.003 0 CA-C-N 113.501 -1.682 . . . . 0.0 107.307 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 28.6 p -126.66 169.78 12.78 Favored 'General case' 0 C--N 1.389 2.318 0 N-CA-C 116.957 2.206 . . . . 0.0 116.957 -173.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.1 t -130.37 157.05 43.65 Favored 'General case' 0 C--N 1.377 1.791 0 CA-C-N 111.532 -2.576 . . . . 0.0 109.676 177.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . 0.26 2.5 pt-20 -132.24 59.72 1.71 Allowed 'General case' 0 C--N 1.378 1.833 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 174.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.6 t -149.79 155.13 39.58 Favored 'General case' 0 C--N 1.385 2.143 0 CA-C-N 113.715 -1.584 . . . . 0.0 108.323 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.466 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 31.7 t70 -67.47 119.28 12.02 Favored 'General case' 0 C--N 1.39 2.341 0 CA-C-O 122.286 1.041 . . . . 0.0 109.175 -173.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.466 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 33.3 mmtm 73.28 -56.61 0.65 Allowed 'General case' 0 C--N 1.392 2.443 0 C-N-CA 127.849 2.46 . . . . 0.0 109.272 177.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.3 t 64.16 50.74 2.34 Favored 'General case' 0 C--N 1.382 1.988 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 173.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.306 57.4 m-20 75.22 -3.36 2.62 Favored 'General case' 0 C--N 1.388 2.264 0 C-N-CA 127.281 2.233 . . . . 0.0 113.347 177.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.46 ' OXT' ' NZ ' ' A' ' 24' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.394 2.522 0 N-CA-C 103.314 -2.847 . . . . 0.0 103.314 173.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.448 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.535 3.791 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.6 mm -93.08 121.17 43.55 Favored 'Isoleucine or valine' 0 C--N 1.388 2.281 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 174.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.3 m -127.88 178.72 5.97 Favored 'General case' 0 C--N 1.385 2.141 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 161.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -89.5 153.89 20.45 Favored 'General case' 0 C--N 1.381 1.973 0 O-C-N 121.442 -0.786 . . . . 0.0 111.82 -179.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -151.65 65.53 0.87 Allowed 'General case' 0 C--N 1.384 2.102 0 N-CA-C 102.508 -3.145 . . . . 0.0 102.508 167.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.152 11.2 m170 -105.49 -172.26 2.06 Favored 'General case' 0 C--N 1.382 2.003 0 C-N-CA 129.349 3.059 . . . . 0.0 112.141 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.272 25.5 mt 67.89 -169.39 0.19 Allowed 'General case' 0 C--N 1.375 1.702 0 CA-C-O 123.277 1.513 . . . . 0.0 113.421 173.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.59 47.6 20.67 Favored Glycine 0 C--N 1.382 3.09 0 N-CA-C 107.769 -2.133 . . . . 0.0 107.769 -168.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 33.4 m 87.53 -30.07 0.05 OUTLIER 'General case' 0 C--N 1.394 2.533 0 C-N-CA 130.175 3.39 . . . . 0.0 111.063 -178.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -113.47 110.24 50.39 Favored Pre-proline 0 CA--C 1.594 2.658 0 C-N-CA 124.501 1.12 . . . . 0.0 108.194 -169.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -90.37 -3.01 5.25 Favored 'Trans proline' 0 CA--C 1.6 3.807 0 N-CA-C 122.493 3.997 . . . . 0.0 122.493 -174.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -82.58 -16.77 7.77 Favored 'Trans proline' 0 C--N 1.403 3.403 1 N-CA-C 130.042 6.901 . . . . 0.0 130.042 -172.114 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.5 p -101.26 157.23 16.94 Favored 'General case' 0 C--N 1.389 2.295 1 CA-C-N 126.405 4.184 . . . . 0.0 116.721 -174.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 73.7 p -127.58 146.87 50.38 Favored 'General case' 0 C--N 1.376 1.74 0 CA-C-N 112.935 -1.938 . . . . 0.0 107.947 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -92.45 87.31 5.94 Favored 'General case' 0 C--N 1.375 1.682 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 -175.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.7 t -74.14 121.34 21.02 Favored 'General case' 0 C--N 1.394 2.522 0 N-CA-C 104.215 -2.513 . . . . 0.0 104.215 169.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 12.6 t -153.05 152.64 31.58 Favored 'General case' 0 C--N 1.39 2.36 0 CA-C-O 122.981 1.372 . . . . 0.0 112.801 -165.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -95.34 -5.47 43.33 Favored 'General case' 0 C--N 1.376 1.74 0 CA-C-N 113.132 -1.849 . . . . 0.0 110.951 174.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -74.11 109.35 7.54 Favored 'General case' 0 C--N 1.396 2.6 0 N-CA-C 102.329 -3.212 . . . . 0.0 102.329 178.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.18 69.1 m-20 -60.57 7.13 0.03 OUTLIER 'General case' 0 C--N 1.389 2.317 0 C-N-CA 129.607 3.163 . . . . 0.0 117.764 -165.267 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.8 m -158.06 145.13 17.96 Favored 'General case' 0 C--N 1.377 1.785 0 CA-C-N 121.704 2.047 . . . . 0.0 105.957 178.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.338 26.7 p -139.74 151.19 45.63 Favored 'General case' 0 C--N 1.386 2.162 0 CA-C-O 123.625 1.679 . . . . 0.0 113.688 -173.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -123.26 145.79 48.39 Favored 'General case' 0 C--N 1.387 2.207 0 CA-C-N 112.921 -1.945 . . . . 0.0 113.994 -158.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.568 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 55.3 mttm -92.18 139.98 30.08 Favored 'General case' 0 C--N 1.387 2.211 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 176.181 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.424 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 2.1 t30 -147.36 123.52 10.83 Favored 'General case' 0 C--N 1.379 1.888 0 N-CA-C 104.509 -2.404 . . . . 0.0 104.509 -169.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -132.76 -7.23 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.401 2.818 0 N-CA-C 117.926 2.565 . . . . 0.0 117.926 -150.034 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.507 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -104.81 -94.79 0.34 Allowed 'General case' 0 CA--C 1.576 1.943 1 C-N-CA 134.132 4.973 . . . . 0.0 106.272 -173.31 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.2 t 78.2 -5.66 2.05 Favored 'General case' 0 C--N 1.389 2.288 0 C-N-CA 125.562 1.545 . . . . 0.0 113.058 173.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . 0.278 83.5 m-85 88.91 -38.73 0.02 OUTLIER 'General case' 0 C--N 1.389 2.322 0 CA-C-N 121.987 2.176 . . . . 0.0 111.107 179.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.2 p-10 -81.37 -10.29 59.57 Favored 'General case' 0 CA--C 1.576 1.964 0 C-N-CA 124.907 1.283 . . . . 0.0 111.103 172.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 77.79 75.57 0.07 Allowed 'General case' 0 C--N 1.394 2.539 0 C-N-CA 126.818 2.047 . . . . 0.0 107.456 173.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.5 tp -163.69 157.75 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.394 2.529 0 C-N-CA 117.828 -1.549 . . . . 0.0 113.348 -176.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.5 mm -88.44 102.01 12.33 Favored 'Isoleucine or valine' 0 C--N 1.392 2.423 0 N-CA-C 105.473 -2.047 . . . . 0.0 105.473 175.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.429 HH11 ' HG2' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -151.58 110.92 3.94 Favored 'General case' 0 C--N 1.385 2.111 0 N-CA-C 101.59 -3.485 . . . . 0.0 101.59 -176.752 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.66 -166.89 2.61 Favored 'General case' 0 C--N 1.381 1.965 0 CA-C-N 111.379 -2.646 . . . . 0.0 111.726 -155.012 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 177.04 -173.94 46.68 Favored Glycine 0 C--N 1.395 3.842 1 C-N-CA 112.999 -4.429 . . . . 0.0 119.229 -175.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.2 p -84.71 122.28 28.86 Favored 'General case' 0 C--N 1.392 2.418 0 CA-C-O 123.376 1.56 . . . . 0.0 108.185 175.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.36 -87.14 0.06 OUTLIER Glycine 0 C--N 1.387 3.394 0 N-CA-C 103.246 -3.942 . . . . 0.0 103.246 175.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.381 42.9 t 79.49 -48.92 0.39 Allowed 'General case' 0 C--N 1.384 2.098 0 CA-C-O 121.779 0.799 . . . . 0.0 110.179 177.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 . . . . . 0 C--N 1.38 1.909 0 N-CA-C 102.57 -3.122 . . . . 0.0 102.57 -175.079 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 2.213 0 CA-C-O 122.277 0.932 . . . . 0.0 112.733 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -69.52 178.19 4.67 Favored 'Trans proline' 0 C--N 1.383 2.356 0 O-C-N 123.442 1.233 . . . . 0.0 109.797 171.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -123.1 137.3 54.96 Favored 'General case' 0 C--N 1.384 2.106 0 CA-C-O 121.663 0.744 . . . . 0.0 109.977 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 2.7 m -118.74 168.23 10.93 Favored 'General case' 0 C--N 1.398 2.717 0 N-CA-C 119.187 3.032 . . . . 0.0 119.187 -160.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 13.5 t -141.36 154.39 45.63 Favored 'General case' 0 C--N 1.377 1.783 0 CA-C-N 110.271 -3.149 . . . . 0.0 107.715 177.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -119.29 50.27 1.25 Allowed 'General case' 0 C--N 1.376 1.76 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.8 t -137.18 175.32 9.72 Favored 'General case' 0 C--N 1.385 2.117 0 CA-C-N 115.289 -0.869 . . . . 0.0 112.131 -175.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.519 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 33.0 t0 -84.91 119.51 25.44 Favored 'General case' 0 CA--C 1.579 2.071 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 -178.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.519 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.306 1.0 OUTLIER 74.54 -67.0 0.27 Allowed 'General case' 0 C--N 1.393 2.498 0 C-N-CA 126.735 2.014 . . . . 0.0 109.101 -177.932 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.275 10.7 t 78.39 27.96 0.49 Allowed 'General case' 0 CA--C 1.582 2.201 0 C-N-CA 126.976 2.11 . . . . 0.0 110.654 178.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.5 m120 58.82 71.85 0.56 Allowed 'General case' 0 C--N 1.392 2.434 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 172.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.568 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 16.8 tp . . . . . 0 CA--C 1.588 2.406 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 177.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.53 3.527 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.0 mp -103.43 117.86 49.56 Favored 'Isoleucine or valine' 0 C--N 1.388 2.266 0 N-CA-C 107.035 -1.468 . . . . 0.0 107.035 -178.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.2 m -138.84 147.49 42.54 Favored 'General case' 0 C--N 1.387 2.203 0 CA-C-O 122.875 1.321 . . . . 0.0 107.774 172.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -68.61 149.08 49.57 Favored 'General case' 0 C--N 1.383 2.033 0 CA-C-N 115.315 -0.857 . . . . 0.0 113.272 -164.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -142.05 43.06 1.68 Allowed 'General case' 0 C--N 1.388 2.247 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 177.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.218 8.5 m170 -83.06 -144.07 0.07 Allowed 'General case' 0 C--N 1.386 2.181 0 C-N-CA 125.217 1.407 . . . . 0.0 107.917 174.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.319 5.6 mp 66.6 -179.87 0.21 Allowed 'General case' 0 C--N 1.389 2.291 0 O-C-N 120.838 -1.164 . . . . 0.0 113.524 174.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.404 ' H ' HG12 ' A' ' 32' ' ' ILE . . . 88.92 -63.7 3.47 Favored Glycine 0 C--N 1.389 3.478 0 N-CA-C 108.01 -2.036 . . . . 0.0 108.01 -169.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.6 m -165.46 -50.37 0.03 OUTLIER 'General case' 0 C--N 1.379 1.887 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -82.8 133.79 48.31 Favored Pre-proline 0 CA--C 1.591 2.552 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.173 -176.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -102.65 -6.42 0.24 Allowed 'Trans proline' 1 C--N 1.415 4.057 0 N-CA-C 119.442 2.824 . . . . 0.0 119.442 178.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -75.65 -20.72 15.35 Favored 'Trans proline' 0 C--N 1.402 3.388 1 N-CA-C 125.785 5.263 . . . . 0.0 125.785 -173.832 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.7 p -95.06 154.04 17.36 Favored 'General case' 0 C--N 1.393 2.481 0 CA-C-N 124.958 3.526 . . . . 0.0 114.677 -176.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 67.5 p -131.03 143.27 50.58 Favored 'General case' 0 C--N 1.375 1.708 0 CA-C-N 112.76 -2.018 . . . . 0.0 107.62 174.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -88.74 92.84 9.36 Favored 'General case' 0 C--N 1.384 2.098 0 N-CA-C 105.094 -2.188 . . . . 0.0 105.094 -171.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 69.7 m -83.75 101.32 11.5 Favored 'General case' 0 C--N 1.39 2.337 0 N-CA-C 103.421 -2.807 . . . . 0.0 103.421 -178.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.0 t -139.18 161.28 37.79 Favored 'General case' 0 C--N 1.393 2.483 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -165.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.83 -11.32 45.12 Favored 'General case' 0 C--N 1.384 2.069 0 CA-C-N 114.187 -1.37 . . . . 0.0 113.121 -177.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -70.01 123.9 22.71 Favored 'General case' 0 C--N 1.391 2.394 0 N-CA-C 104.465 -2.42 . . . . 0.0 104.465 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.095 15.9 m-20 -46.8 -34.47 5.32 Favored 'General case' 0 C--N 1.385 2.115 0 C-N-CA 128.988 2.915 . . . . 0.0 114.068 -175.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.5 m -121.94 172.22 8.36 Favored 'General case' 0 C--N 1.379 1.891 0 C-N-CA 124.89 1.276 . . . . 0.0 111.944 -175.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.2 p -150.37 159.36 44.52 Favored 'General case' 0 C--N 1.385 2.146 0 C-N-CA 117.627 -1.629 . . . . 0.0 112.951 176.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -124.76 154.8 40.35 Favored 'General case' 0 C--N 1.376 1.741 0 CA-C-N 113.62 -1.627 . . . . 0.0 114.629 -167.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.553 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 64.5 mmtt -108.23 115.11 29.51 Favored 'General case' 0 C--N 1.387 2.196 0 N-CA-C 104.685 -2.339 . . . . 0.0 104.685 176.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.466 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 0.6 OUTLIER -119.21 119.9 35.47 Favored 'General case' 0 CA--C 1.58 2.102 0 N-CA-C 103.852 -2.647 . . . . 0.0 103.852 -175.545 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.1 9.64 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.402 2.89 0 N-CA-C 117.105 2.261 . . . . 0.0 117.105 -152.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.501 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -104.06 -109.46 0.26 Allowed 'General case' 0 CA--C 1.594 2.663 0 C-N-CA 131.425 3.89 . . . . 0.0 106.515 -172.478 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.5 t 75.51 162.25 0.25 Allowed 'General case' 0 C--N 1.392 2.423 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 173.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -71.19 -46.47 61.21 Favored 'General case' 0 C--N 1.391 2.373 0 CA-C-N 114.746 -1.116 . . . . 0.0 109.471 175.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -63.59 -6.12 4.86 Favored 'General case' 0 CA--C 1.581 2.17 0 CA-C-O 116.334 -1.793 . . . . 0.0 112.019 176.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 65.64 76.03 0.33 Allowed 'General case' 0 C--N 1.401 2.836 0 CA-C-N 123.333 2.788 . . . . 0.0 104.948 174.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.404 HG12 ' H ' ' A' ' 8' ' ' GLY . 2.9 tp -167.52 167.43 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.401 2.829 0 C-N-CA 116.019 -2.272 . . . . 0.0 115.55 -166.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.5 mt -103.74 100.55 10.69 Favored 'Isoleucine or valine' 0 C--N 1.392 2.433 0 N-CA-C 105.945 -1.872 . . . . 0.0 105.945 173.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.8 ttp85 -140.75 117.32 10.86 Favored 'General case' 0 C--N 1.382 1.99 0 N-CA-C 103.083 -2.932 . . . . 0.0 103.083 -177.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.418 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -157.87 -169.43 2.83 Favored 'General case' 0 C--N 1.389 2.31 0 CA-C-N 113.718 -1.583 . . . . 0.0 112.72 -156.801 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 169.57 -166.91 40.08 Favored Glycine 0 C--N 1.394 3.758 1 C-N-CA 113.348 -4.263 . . . . 0.0 118.888 -172.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.1 p -70.22 124.12 23.35 Favored 'General case' 0 C--N 1.392 2.421 0 CA-C-O 122.892 1.33 . . . . 0.0 110.985 -177.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.41 -94.0 0.09 OUTLIER Glycine 0 C--N 1.392 3.673 0 N-CA-C 106.006 -2.838 . . . . 0.0 106.006 171.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.421 ' O ' ' SG ' ' A' ' 39' ' ' CYS 2.382 34.4 t 85.02 -47.52 0.08 Allowed 'General case' 0 C--N 1.383 2.038 0 C-N-CA 125.563 1.545 . . . . 0.0 111.188 179.289 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 . . . . . 0 CA--C 1.574 1.887 0 N-CA-C 101.036 -3.69 . . . . 0.0 101.036 -175.843 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 1.966 0 CA-C-O 122.255 0.919 . . . . 0.0 115.062 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -56.27 168.12 2.21 Favored 'Trans proline' 0 C--N 1.387 2.585 0 C-N-CA 121.677 1.585 . . . . 0.0 114.938 175.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -96.23 154.68 17.12 Favored 'General case' 0 C--N 1.382 1.982 0 CA-C-N 113.652 -1.613 . . . . 0.0 107.323 173.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 15.2 m -138.49 157.69 45.7 Favored 'General case' 0 C--N 1.392 2.426 0 N-CA-C 117.939 2.57 . . . . 0.0 117.939 -165.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 23.9 t -119.32 169.1 10.29 Favored 'General case' 0 C--N 1.374 1.641 0 CA-C-N 109.947 -3.297 . . . . 0.0 109.559 172.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -143.76 37.75 1.32 Allowed 'General case' 0 C--N 1.381 1.94 0 C-N-CA 118.305 -1.358 . . . . 0.0 112.0 -178.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.9 p -135.88 174.6 10.43 Favored 'General case' 0 C--N 1.379 1.865 0 C-N-CA 124.036 0.934 . . . . 0.0 111.261 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.513 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 24.6 t0 -68.57 130.56 43.21 Favored 'General case' 0 CA--C 1.585 2.307 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 171.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.513 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 39.9 mmtm 74.04 -83.75 0.03 OUTLIER 'General case' 0 C--N 1.39 2.348 0 C-N-CA 126.326 1.85 . . . . 0.0 112.224 171.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 32.1 p 51.58 68.08 0.86 Allowed 'General case' 0 C--N 1.383 2.038 0 C-N-CA 128.771 2.828 . . . . 0.0 109.395 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 66.47 53.93 0.93 Allowed 'General case' 0 C--N 1.386 2.166 0 O-C-N 121.844 -0.535 . . . . 0.0 110.363 168.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.553 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 6.6 tp . . . . . 0 CA--C 1.585 2.301 0 CA-C-O 116.921 -1.514 . . . . 0.0 108.608 164.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.485 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.53 3.525 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -84.79 121.93 37.47 Favored 'Isoleucine or valine' 0 C--N 1.387 2.202 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 -179.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.6 m -127.11 161.7 27.83 Favored 'General case' 0 C--N 1.391 2.375 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 162.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -75.97 165.09 25.48 Favored 'General case' 0 C--N 1.381 1.957 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 -169.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 49.8 p-10 -142.93 22.85 1.92 Allowed 'General case' 0 C--N 1.392 2.422 0 C-N-CA 119.381 -0.927 . . . . 0.0 110.468 168.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.215 85.2 m-70 -63.93 179.45 0.52 Allowed 'General case' 0 C--N 1.391 2.389 0 C-N-CA 126.227 1.811 . . . . 0.0 114.218 -176.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.311 62.7 mt 75.73 -172.23 0.1 Allowed 'General case' 0 C--N 1.381 1.956 0 C-N-CA 125.381 1.473 . . . . 0.0 114.029 176.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.72 -113.24 3.96 Favored Glycine 0 C--N 1.383 3.186 0 N-CA-C 105.62 -2.992 . . . . 0.0 105.62 -165.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.8 m -82.14 -44.11 16.89 Favored 'General case' 0 C--N 1.382 2.006 0 O-C-N 121.722 -0.869 . . . . 0.0 110.674 -179.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.5 tttm -98.38 140.93 22.17 Favored Pre-proline 0 C--N 1.389 2.284 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -169.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -63.88 168.76 11.43 Favored 'Trans proline' 0 C--N 1.402 3.363 0 C-N-CA 121.627 1.552 . . . . 0.0 113.966 166.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -32.13 132.39 0.08 OUTLIER 'Trans proline' 0 C--N 1.391 2.774 1 C-N-CA 125.65 4.234 . . . . 0.0 115.701 -176.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 174.2 157.31 0.14 Allowed 'General case' 0 CA--C 1.587 2.39 0 C-N-CA 129.28 3.032 . . . . 0.0 105.481 -179.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 53.3 p -137.85 169.26 18.09 Favored 'General case' 0 C--N 1.39 2.333 0 N-CA-C 115.477 1.658 . . . . 0.0 115.477 -159.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -111.3 105.49 14.16 Favored 'General case' 0 C--N 1.384 2.108 0 CA-C-O 122.638 1.208 . . . . 0.0 107.954 -173.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.6 m -79.37 121.33 25.01 Favored 'General case' 0 C--N 1.39 2.351 0 N-CA-C 105.446 -2.057 . . . . 0.0 105.446 176.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.3 t -147.38 148.25 31.13 Favored 'General case' 0 C--N 1.393 2.495 0 CA-C-O 123.49 1.614 . . . . 0.0 112.199 -173.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . 0.258 3.0 mp0 -98.14 -2.8 39.15 Favored 'General case' 0 CA--C 1.571 1.77 0 CA-C-N 113.201 -1.818 . . . . 0.0 111.161 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -66.13 119.04 10.73 Favored 'General case' 0 C--N 1.404 2.952 0 N-CA-C 102.644 -3.095 . . . . 0.0 102.644 163.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.109 50.8 m-20 -65.91 4.86 0.56 Allowed 'General case' 0 C--N 1.388 2.257 0 C-N-CA 129.643 3.177 . . . . 0.0 115.835 -172.379 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.2 t -146.68 129.81 16.5 Favored 'General case' 0 C--N 1.375 1.714 0 N-CA-C 103.554 -2.758 . . . . 0.0 103.554 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.5 p -140.25 147.55 40.16 Favored 'General case' 0 C--N 1.38 1.917 0 CA-C-O 123.736 1.731 . . . . 0.0 110.449 -178.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -130.77 166.67 20.29 Favored 'General case' 0 C--N 1.383 2.037 0 N-CA-C 116.715 2.117 . . . . 0.0 116.715 -158.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.414 ' NZ ' ' O ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -106.46 125.81 51.47 Favored 'General case' 0 C--N 1.38 1.898 0 CA-C-N 110.522 -3.035 . . . . 0.0 106.766 179.45 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.527 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 3.7 t30 -133.39 124.09 26.52 Favored 'General case' 0 C--N 1.382 1.98 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 -169.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.85 -5.71 2.3 Favored 'Isoleucine or valine' 0 C--N 1.401 2.824 0 N-CA-C 118.1 2.63 . . . . 0.0 118.1 -152.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.527 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -96.66 -88.62 0.28 Allowed 'General case' 0 CA--C 1.577 1.995 1 C-N-CA 136.349 5.859 . . . . 0.0 106.746 179.015 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.5 t 86.59 -66.61 0.03 OUTLIER 'General case' 0 C--N 1.39 2.359 0 C-N-CA 127.444 2.298 . . . . 0.0 107.598 177.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 57.9 t80 160.34 -46.4 0.0 OUTLIER 'General case' 0 C--N 1.383 2.051 0 C-N-CA 127.564 2.346 . . . . 0.0 104.818 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -71.28 -16.06 62.45 Favored 'General case' 0 C--N 1.385 2.11 0 C-N-CA 126.229 1.812 . . . . 0.0 113.261 174.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 79.89 83.2 0.05 Allowed 'General case' 0 C--N 1.39 2.353 0 C-N-CA 126.779 2.032 . . . . 0.0 106.94 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.2 tp -171.77 164.11 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.39 2.366 0 C-N-CA 119.476 -0.89 . . . . 0.0 111.066 -175.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.5 mp -98.09 95.75 4.67 Favored 'Isoleucine or valine' 0 C--N 1.39 2.354 0 N-CA-C 106.657 -1.608 . . . . 0.0 106.657 -179.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.57 114.37 9.39 Favored 'General case' 0 C--N 1.383 2.054 0 N-CA-C 103.024 -2.954 . . . . 0.0 103.024 -176.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 ptt-85 -145.9 -168.98 3.13 Favored 'General case' 0 C--N 1.385 2.123 0 CA-C-N 112.886 -1.961 . . . . 0.0 114.116 -155.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 173.81 -166.21 38.32 Favored Glycine 0 C--N 1.394 3.772 0 C-N-CA 115.027 -3.463 . . . . 0.0 117.208 -174.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.4 p -92.87 129.89 38.64 Favored 'General case' 0 C--N 1.39 2.332 0 CA-C-O 123.716 1.722 . . . . 0.0 112.006 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.92 -76.86 0.04 OUTLIER Glycine 0 C--N 1.389 3.483 0 N-CA-C 103.515 -3.834 . . . . 0.0 103.515 171.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.372 46.5 t 70.49 -157.62 0.14 Allowed 'General case' 0 C--N 1.388 2.244 0 CA-C-O 122.405 1.098 . . . . 0.0 113.2 175.227 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 . . . . . 0 C--N 1.384 2.098 0 CA-C-N 113.95 -1.477 . . . . 0.0 107.399 172.303 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.563 3.051 0 N-CA-C 106.704 -2.558 . . . . 0.0 106.704 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -66.76 165.86 24.31 Favored 'Trans proline' 0 C--N 1.383 2.361 0 CA-C-O 122.553 0.98 . . . . 0.0 110.856 177.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 39.2 p90 -101.56 137.93 39.23 Favored 'General case' 0 C--N 1.384 2.094 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 178.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 2.8 m -128.85 164.47 23.01 Favored 'General case' 0 C--N 1.395 2.558 0 N-CA-C 117.542 2.423 . . . . 0.0 117.542 -163.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.9 t -131.37 162.67 29.59 Favored 'General case' 0 C--N 1.378 1.815 0 CA-C-N 111.773 -2.467 . . . . 0.0 109.905 173.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -125.89 38.02 4.23 Favored 'General case' 0 C--N 1.38 1.912 0 CA-C-O 122.041 0.924 . . . . 0.0 108.886 171.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.45 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 0.4 OUTLIER -130.79 -172.98 2.95 Favored 'General case' 0 C--N 1.385 2.143 0 C-N-CA 125.644 1.578 . . . . 0.0 111.202 -178.333 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.453 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 37.1 t70 -84.18 106.34 15.73 Favored 'General case' 0 CA--C 1.576 1.981 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 -176.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.453 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.272 11.5 mptt 73.19 -60.34 0.54 Allowed 'General case' 0 C--N 1.396 2.63 0 C-N-CA 126.154 1.782 . . . . 0.0 111.556 176.356 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.45 ' SG ' ' HB3' ' A' ' 54' ' ' SER 0.262 3.4 m 60.74 65.14 1.06 Allowed 'General case' 0 C--N 1.374 1.654 0 C-N-CA 127.301 2.241 . . . . 0.0 105.352 -175.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.3 m120 84.24 -66.34 0.06 Allowed 'General case' 0 C--N 1.387 2.231 0 C-N-CA 127.948 2.499 . . . . 0.0 111.371 170.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.414 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 95.7 mt . . . . . 0 CA--C 1.628 3.962 0 CA-C-O 115.93 -1.986 . . . . 0.0 109.077 -177.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.49 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.533 3.706 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.8 mp -97.99 129.12 48.67 Favored 'Isoleucine or valine' 0 C--N 1.387 2.221 0 CA-C-O 121.891 0.853 . . . . 0.0 111.667 -169.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -139.97 152.31 46.21 Favored 'General case' 0 C--N 1.391 2.398 0 O-C-N 121.231 -0.918 . . . . 0.0 108.702 170.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.443 ' CD1' HG22 ' A' ' 14' ' ' THR . 5.7 m-85 -104.89 153.72 21.0 Favored 'General case' 0 C--N 1.392 2.428 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -165.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -115.98 22.98 12.57 Favored 'General case' 0 C--N 1.386 2.19 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 175.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.182 20.5 m170 -72.25 -173.84 1.17 Allowed 'General case' 0 C--N 1.39 2.341 0 C-N-CA 127.486 2.315 . . . . 0.0 114.584 -176.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.25 49.5 mt 76.31 -169.93 0.08 Allowed 'General case' 0 C--N 1.386 2.153 0 C-N-CA 125.819 1.648 . . . . 0.0 113.862 176.052 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.35 -54.37 3.52 Favored Glycine 0 C--N 1.385 3.3 0 N-CA-C 110.028 -1.229 . . . . 0.0 110.028 -173.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.4 m -164.36 -41.5 0.03 OUTLIER 'General case' 0 C--N 1.377 1.794 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 -174.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -106.47 126.82 29.5 Favored Pre-proline 0 CA--C 1.581 2.149 0 C-N-CA 123.906 0.883 . . . . 0.0 110.791 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -87.03 -15.45 3.73 Favored 'Trans proline' 0 C--N 1.408 3.668 1 N-CA-C 123.897 4.537 . . . . 0.0 123.897 177.213 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -85.19 -23.53 2.35 Favored 'Trans proline' 0 C--N 1.394 2.966 1 N-CA-C 128.977 6.491 . . . . 0.0 128.977 -168.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.3 p -82.13 140.89 33.53 Favored 'General case' 0 C--N 1.391 2.391 0 CA-C-N 124.652 3.387 . . . . 0.0 114.067 -171.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.443 HG22 ' CD1' ' A' ' 4' ' ' TYR . 55.5 p -134.06 159.74 39.89 Favored 'General case' 0 C--N 1.383 2.027 0 CA-C-N 113.154 -1.839 . . . . 0.0 111.433 -175.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -124.6 100.87 6.85 Favored 'General case' 0 C--N 1.384 2.097 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 -169.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 54.1 m -81.64 109.39 16.03 Favored 'General case' 0 C--N 1.389 2.305 0 N-CA-C 102.219 -3.252 . . . . 0.0 102.219 175.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.8 t -120.03 156.34 31.1 Favored 'General case' 0 C--N 1.393 2.458 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -161.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.91 2.19 43.49 Favored 'General case' 0 C--N 1.384 2.104 0 C-N-CA 124.897 1.279 . . . . 0.0 111.272 172.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.458 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 26.5 mm-40 -94.06 108.69 20.5 Favored 'General case' 0 C--N 1.392 2.456 0 N-CA-C 103.659 -2.719 . . . . 0.0 103.659 175.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.147 83.1 m-20 -52.43 -20.28 2.74 Favored 'General case' 0 CA--C 1.58 2.1 0 C-N-CA 129.239 3.016 . . . . 0.0 116.848 -171.71 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.4 t -130.76 154.04 48.4 Favored 'General case' 0 C--N 1.378 1.835 0 C-N-CA 125.057 1.343 . . . . 0.0 109.83 -177.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.4 p -145.57 154.3 42.02 Favored 'General case' 0 C--N 1.386 2.178 0 C-N-CA 118.331 -1.348 . . . . 0.0 113.158 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -117.62 139.4 51.04 Favored 'General case' 0 C--N 1.384 2.067 0 CA-C-N 113.925 -1.489 . . . . 0.0 112.317 -167.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -91.25 119.59 31.45 Favored 'General case' 0 CA--C 1.58 2.124 0 N-CA-C 105.619 -1.993 . . . . 0.0 105.619 176.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.508 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 1.4 t30 -113.27 115.3 27.97 Favored 'General case' 0 CA--C 1.582 2.202 0 N-CA-C 100.954 -3.721 . . . . 0.0 100.954 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -121.28 -13.57 7.99 Favored 'Isoleucine or valine' 0 C--N 1.398 2.705 0 N-CA-C 117.748 2.499 . . . . 0.0 117.748 -153.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.564 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -86.76 -99.58 0.07 Allowed 'General case' 0 CA--C 1.59 2.49 1 C-N-CA 135.954 5.702 . . . . 0.0 105.799 178.758 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.301 12.3 t 87.69 -76.38 0.01 OUTLIER 'General case' 0 C--N 1.392 2.414 0 C-N-CA 126.443 1.897 . . . . 0.0 107.375 173.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.6 p90 179.84 -47.17 0.01 OUTLIER 'General case' 0 C--N 1.388 2.252 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 179.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.8 p30 -69.93 -35.32 74.45 Favored 'General case' 0 C--N 1.378 1.823 0 C-N-CA 129.314 3.046 . . . . 0.0 111.468 176.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 96.29 79.33 0.0 OUTLIER 'General case' 0 C--N 1.386 2.194 0 C-N-CA 129.939 3.296 . . . . 0.0 104.592 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.3 tp -157.76 156.58 4.08 Favored 'Isoleucine or valine' 0 C--N 1.394 2.521 0 C-N-CA 118.393 -1.323 . . . . 0.0 114.037 -174.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 85.3 mt -91.11 90.79 3.38 Favored 'Isoleucine or valine' 0 C--N 1.392 2.44 0 N-CA-C 104.916 -2.253 . . . . 0.0 104.916 177.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -135.93 101.47 4.75 Favored 'General case' 0 C--N 1.382 1.989 0 N-CA-C 101.817 -3.401 . . . . 0.0 101.817 -176.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.411 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -143.55 -173.69 4.03 Favored 'General case' 0 C--N 1.394 2.54 0 N-CA-C 116.18 1.919 . . . . 0.0 116.18 -151.797 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -132.85 157.23 22.52 Favored Glycine 0 C--N 1.395 3.841 0 N-CA-C 118.634 2.214 . . . . 0.0 118.634 -169.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.458 ' SG ' ' HB2' ' A' ' 19' ' ' GLU . 34.9 t -85.62 108.26 17.9 Favored 'General case' 0 C--N 1.383 2.051 0 N-CA-C 104.063 -2.569 . . . . 0.0 104.063 172.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -165.89 -86.78 0.06 OUTLIER Glycine 0 C--N 1.397 3.967 0 N-CA-C 106.396 -2.682 . . . . 0.0 106.396 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 40' ' ' PHE 2.39 42.0 t 72.97 -161.54 0.1 Allowed 'General case' 0 C--N 1.388 2.256 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 175.781 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.405 ' N ' ' SG ' ' A' ' 39' ' ' CYS . 4.1 m-85 . . . . . 0 C--N 1.383 2.037 0 CA-C-N 113.787 -1.551 . . . . 0.0 108.254 174.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.564 3.115 0 CA-C-O 114.818 -3.212 . . . . 0.0 114.298 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 0.0 OUTLIER 46.52 -157.58 0.0 OUTLIER 'Trans proline' 1 C--N 1.421 4.377 0 CA-C-N 122.112 2.956 . . . . 0.0 118.4 166.907 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.25 136.82 53.91 Favored 'General case' 0 CA--C 1.583 2.223 0 N-CA-C 105.936 -1.876 . . . . 0.0 105.936 176.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.6 m -121.98 164.67 17.23 Favored 'General case' 0 C--N 1.395 2.573 0 N-CA-C 117.769 2.507 . . . . 0.0 117.769 -170.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.9 t -135.92 160.89 37.21 Favored 'General case' 0 C--N 1.383 2.059 0 CA-C-N 112.854 -1.975 . . . . 0.0 109.999 174.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . 0.255 9.0 pt-20 -136.24 53.19 1.94 Allowed 'General case' 0 C--N 1.386 2.162 0 O-C-N 121.3 -0.875 . . . . 0.0 110.101 176.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.8 t -157.46 88.81 1.01 Allowed 'General case' 0 C--N 1.39 2.345 0 N-CA-C 105.866 -1.901 . . . . 0.0 105.866 177.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.1 t0 60.38 -157.23 0.34 Allowed 'General case' 0 C--N 1.391 2.376 0 CA-C-O 123.504 1.621 . . . . 0.0 109.207 176.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -25.55 66.04 Favored 'General case' 0 C--N 1.384 2.103 0 CA-C-N 114.492 -1.231 . . . . 0.0 111.04 178.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 27.2 t 66.58 44.97 2.15 Favored 'General case' 0 C--N 1.389 2.301 0 CA-C-N 120.3 1.409 . . . . 0.0 107.795 172.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.9 t30 64.57 100.22 0.04 OUTLIER 'General case' 0 C--N 1.394 2.516 0 C-N-CA 127.149 2.179 . . . . 0.0 107.825 177.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.6 tp . . . . . 0 C--N 1.39 2.346 0 N-CA-C 104.958 -2.238 . . . . 0.0 104.958 -179.149 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.474 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.535 3.816 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 65.8 mt -82.39 126.57 40.0 Favored 'Isoleucine or valine' 0 C--N 1.395 2.553 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 -178.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -151.81 138.9 19.15 Favored 'General case' 0 C--N 1.393 2.466 0 N-CA-C 107.081 -1.452 . . . . 0.0 107.081 176.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -94.69 152.11 18.74 Favored 'General case' 0 C--N 1.4 2.771 0 N-CA-C 115.97 1.841 . . . . 0.0 115.97 -160.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -128.27 57.21 1.58 Allowed 'General case' 0 C--N 1.386 2.165 0 N-CA-C 103.859 -2.645 . . . . 0.0 103.859 175.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.193 13.3 m170 -98.53 -165.3 1.23 Allowed 'General case' 0 C--N 1.385 2.113 0 C-N-CA 128.382 2.673 . . . . 0.0 111.165 175.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.473 ' H ' ' HA ' ' A' ' 11' ' ' PRO 0.361 4.5 mp 76.57 -179.14 0.14 Allowed 'General case' 0 C--N 1.385 2.126 0 N-CA-C 116.027 1.862 . . . . 0.0 116.027 170.354 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.82 -50.22 3.43 Favored Glycine 0 C--N 1.39 3.546 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.094 -171.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 88.2 m -166.9 -38.09 0.02 OUTLIER 'General case' 0 C--N 1.382 1.983 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 -175.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -113.5 112.19 48.88 Favored Pre-proline 0 C--N 1.389 2.287 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -178.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.473 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 36.9 Cg_exo -86.93 -3.26 8.11 Favored 'Trans proline' 0 CA--C 1.593 3.465 0 N-CA-C 120.165 3.102 . . . . 0.0 120.165 179.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -76.5 -21.85 12.8 Favored 'Trans proline' 0 C--N 1.398 3.157 1 N-CA-C 126.227 5.434 . . . . 0.0 126.227 -172.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.4 p -92.56 142.2 27.65 Favored 'General case' 0 C--N 1.394 2.511 0 CA-C-N 125.152 3.615 . . . . 0.0 115.177 -173.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 59.1 p -128.42 144.07 51.08 Favored 'General case' 0 C--N 1.379 1.867 0 CA-C-N 112.006 -2.361 . . . . 0.0 108.842 -177.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -112.45 99.68 8.18 Favored 'General case' 0 C--N 1.384 2.08 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 -167.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.4 m -75.63 100.17 4.54 Favored 'General case' 0 C--N 1.391 2.403 0 N-CA-C 101.965 -3.346 . . . . 0.0 101.965 171.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 38.2 t -115.38 154.13 29.77 Favored 'General case' 0 C--N 1.384 2.065 0 CA-C-O 123.524 1.63 . . . . 0.0 110.421 -172.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -99.27 -12.25 20.54 Favored 'General case' 0 C--N 1.374 1.632 0 CA-C-N 112.677 -2.056 . . . . 0.0 111.564 -171.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -70.5 113.08 7.27 Favored 'General case' 0 C--N 1.395 2.545 0 N-CA-C 102.612 -3.107 . . . . 0.0 102.612 171.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.2 68.6 m-20 -59.09 8.45 0.01 OUTLIER 'General case' 0 C--N 1.389 2.301 0 C-N-CA 130.44 3.496 . . . . 0.0 117.071 -169.524 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.4 p -153.46 149.68 28.0 Favored 'General case' 0 C--N 1.377 1.797 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 171.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.1 p -142.03 163.81 31.88 Favored 'General case' 0 C--N 1.38 1.915 0 C-N-CA 118.009 -1.476 . . . . 0.0 113.313 -175.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 44.1 p90 -130.43 149.93 51.88 Favored 'General case' 0 C--N 1.381 1.957 0 CA-C-O 123.331 1.539 . . . . 0.0 114.986 -162.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt -107.61 113.15 26.25 Favored 'General case' 0 C--N 1.384 2.087 0 N-CA-C 105.367 -2.086 . . . . 0.0 105.367 -178.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.44 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 1.2 t30 -115.86 128.95 56.2 Favored 'General case' 0 CA--C 1.586 2.364 0 C-N-CA 128.336 2.654 . . . . 0.0 105.552 -173.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -138.64 15.58 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.404 2.975 0 N-CA-C 116.832 2.16 . . . . 0.0 116.832 -151.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.55 ' N ' ' CD1' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -120.21 -92.64 0.53 Allowed 'General case' 0 CA--C 1.581 2.142 0 C-N-CA 131.279 3.832 . . . . 0.0 105.523 -171.258 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.288 15.2 t 79.43 -90.62 0.02 OUTLIER 'General case' 0 C--N 1.387 2.235 0 C-N-CA 126.639 1.976 . . . . 0.0 108.795 174.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -172.32 -55.2 0.02 OUTLIER 'General case' 0 C--N 1.389 2.287 0 N-CA-C 105.843 -1.91 . . . . 0.0 105.843 -176.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -65.59 -7.65 16.02 Favored 'General case' 0 CA--C 1.579 2.074 0 C-N-CA 130.207 3.403 . . . . 0.0 113.209 175.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 t30 72.96 74.05 0.14 Allowed 'General case' 0 C--N 1.392 2.456 0 C-N-CA 127.285 2.234 . . . . 0.0 105.805 177.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 tp -157.35 160.31 2.2 Favored 'Isoleucine or valine' 0 C--N 1.395 2.574 0 C-N-CA 117.653 -1.619 . . . . 0.0 114.398 -169.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 93.2 mt -96.34 101.27 12.14 Favored 'Isoleucine or valine' 0 C--N 1.393 2.462 0 N-CA-C 104.746 -2.316 . . . . 0.0 104.746 174.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.45 116.54 10.49 Favored 'General case' 0 C--N 1.383 2.025 0 N-CA-C 102.076 -3.305 . . . . 0.0 102.076 -178.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.49 -170.9 3.72 Favored 'General case' 0 C--N 1.393 2.465 0 C-N-CA 118.193 -1.403 . . . . 0.0 114.733 -156.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -167.83 -162.94 20.85 Favored Glycine 0 C--N 1.394 3.765 0 C-N-CA 114.8 -3.571 . . . . 0.0 117.227 -173.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.3 p -110.29 126.12 53.86 Favored 'General case' 0 C--N 1.387 2.199 0 CA-C-O 123.017 1.389 . . . . 0.0 111.162 -177.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.19 -87.76 0.07 OUTLIER Glycine 0 C--N 1.392 3.692 0 N-CA-C 104.096 -3.602 . . . . 0.0 104.096 177.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.426 ' O ' ' SG ' ' A' ' 39' ' ' CYS 2.364 45.0 t 75.93 -50.62 0.62 Allowed 'General case' 0 C--N 1.388 2.271 0 C-N-CA 125.124 1.37 . . . . 0.0 111.96 176.713 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 . . . . . 0 CA--C 1.581 2.172 0 N-CA-C 105.472 -2.048 . . . . 0.0 105.472 -176.686 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.57 3.52 0 N-CA-C 115.347 0.899 . . . . 0.0 115.347 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -60.82 171.4 3.68 Favored 'Trans proline' 0 C--N 1.39 2.723 0 C-N-CA 124.986 3.791 . . . . 0.0 113.844 169.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -85.92 149.52 25.15 Favored 'General case' 0 C--N 1.387 2.223 0 C-N-CA 118.245 -1.382 . . . . 0.0 110.09 178.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.5 m -124.54 166.94 15.17 Favored 'General case' 0 C--N 1.39 2.358 0 N-CA-C 117.514 2.413 . . . . 0.0 117.514 -166.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -146.47 149.48 33.75 Favored 'General case' 0 C--N 1.381 1.956 0 CA-C-N 113.111 -1.859 . . . . 0.0 109.069 -178.086 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . 0.288 0.1 OUTLIER -127.5 32.98 4.92 Favored 'General case' 0 C--N 1.385 2.122 0 CA-C-O 122.202 1.001 . . . . 0.0 111.361 177.078 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.3 t -119.01 -177.73 3.4 Favored 'General case' 0 CA--C 1.577 2.008 0 C-N-CA 127.854 2.461 . . . . 0.0 110.028 176.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.554 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 45.1 t0 -83.59 114.13 21.31 Favored 'General case' 0 CA--C 1.586 2.356 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -175.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.554 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.271 3.9 mppt? 73.48 -63.61 0.43 Allowed 'General case' 0 C--N 1.402 2.884 0 C-N-CA 125.952 1.701 . . . . 0.0 111.881 178.773 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.294 67.8 m 75.84 53.64 0.06 Allowed 'General case' 0 C--N 1.376 1.736 0 C-N-CA 127.739 2.416 . . . . 0.0 109.079 -176.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 57.95 77.7 0.27 Allowed 'General case' 0 C--N 1.389 2.292 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 169.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.9 tp . . . . . 0 CA--C 1.583 2.217 0 N-CA-C 103.098 -2.927 . . . . 0.0 103.098 -175.083 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.501 HH11 ' HG2' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.538 3.948 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.0 mt -144.38 134.52 20.11 Favored 'Isoleucine or valine' 0 C--N 1.387 2.223 0 CA-C-N 119.73 1.15 . . . . 0.0 110.023 -172.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 99.5 m -136.1 151.11 49.46 Favored 'General case' 0 CA--C 1.593 2.611 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 166.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -94.27 135.55 35.54 Favored 'General case' 0 C--N 1.398 2.692 0 C-N-CA 118.45 -1.3 . . . . 0.0 114.447 -161.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -126.81 5.35 6.65 Favored 'General case' 0 C--N 1.395 2.581 0 O-C-N 121.314 -0.866 . . . . 0.0 113.069 -171.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.107 0.4 OUTLIER -72.4 -33.62 67.3 Favored 'General case' 0 C--N 1.382 2.001 0 C-N-CA 124.231 1.012 . . . . 0.0 113.362 -165.113 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.5 mt -58.39 -170.69 0.01 OUTLIER 'General case' 0 C--N 1.385 2.129 0 C-N-CA 128.403 2.681 . . . . 0.0 116.174 -173.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.04 38.91 17.7 Favored Glycine 0 C--N 1.388 3.455 0 CA-C-O 117.556 -1.691 . . . . 0.0 112.544 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.4 m 94.17 -37.7 0.02 OUTLIER 'General case' 0 C--N 1.393 2.497 0 C-N-CA 129.844 3.257 . . . . 0.0 110.02 -178.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.432 ' NZ ' ' OD2' ' A' ' 30' ' ' ASP . 7.5 mptt -64.74 159.1 64.86 Favored Pre-proline 0 CA--C 1.587 2.368 0 C-N-CA 123.705 0.802 . . . . 0.0 110.149 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -74.91 158.99 42.21 Favored 'Trans proline' 0 C--N 1.4 3.253 0 N-CA-C 114.173 0.797 . . . . 0.0 114.173 -175.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.6 OUTLIER -53.95 138.98 70.35 Favored 'Trans proline' 0 C--N 1.396 3.044 0 C-N-CA 122.392 2.062 . . . . 0.0 115.097 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.263 0.1 OUTLIER 174.19 164.0 0.2 Allowed 'General case' 0 C--N 1.392 2.445 0 CA-C-O 122.913 1.34 . . . . 0.0 108.252 -179.137 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.2 p -136.34 154.66 50.78 Favored 'General case' 0 C--N 1.385 2.121 0 C-N-CA 119.279 -0.969 . . . . 0.0 113.173 -171.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -92.34 95.72 9.85 Favored 'General case' 0 C--N 1.384 2.099 0 N-CA-C 104.006 -2.59 . . . . 0.0 104.006 -178.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 93.5 m -89.86 106.14 18.27 Favored 'General case' 0 C--N 1.387 2.226 0 N-CA-C 103.593 -2.743 . . . . 0.0 103.593 -178.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -124.68 155.82 38.59 Favored 'General case' 0 C--N 1.385 2.142 0 CA-C-O 121.919 0.866 . . . . 0.0 112.992 -167.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -98.69 2.23 46.93 Favored 'General case' 0 C--N 1.383 2.03 0 CA-C-O 117.818 -1.087 . . . . 0.0 111.692 175.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -93.9 158.73 15.5 Favored 'General case' 0 C--N 1.394 2.523 0 CA-C-N 121.915 2.143 . . . . 0.0 113.171 -173.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.116 0.9 OUTLIER -46.01 -42.8 13.7 Favored 'General case' 0 C--N 1.387 2.218 0 C-N-CA 129.774 3.23 . . . . 0.0 115.246 -169.801 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.0 m -140.27 154.61 46.9 Favored 'General case' 0 C--N 1.384 2.095 0 CA-C-O 122.622 1.201 . . . . 0.0 112.934 -172.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.291 20.5 p -139.03 148.22 43.11 Favored 'General case' 0 C--N 1.387 2.207 0 CA-C-O 123.164 1.459 . . . . 0.0 112.191 174.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -118.68 166.94 12.14 Favored 'General case' 0 C--N 1.386 2.155 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 -163.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.419 ' NZ ' ' OXT' ' A' ' 59' ' ' LEU . 7.1 mmtt -120.6 113.86 20.87 Favored 'General case' 0 C--N 1.386 2.153 0 N-CA-C 106.115 -1.809 . . . . 0.0 106.115 -177.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.6 ' H ' ' HB3' ' A' ' 35' ' ' ARG . 3.4 t30 -115.32 117.05 29.36 Favored 'General case' 0 CA--C 1.574 1.881 0 N-CA-C 102.473 -3.158 . . . . 0.0 102.473 -174.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -114.47 -21.06 5.61 Favored 'Isoleucine or valine' 0 C--N 1.394 2.506 0 N-CA-C 116.44 2.015 . . . . 0.0 116.44 -151.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.527 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -90.01 -106.39 0.09 Allowed 'General case' 0 CA--C 1.596 2.717 1 C-N-CA 135.963 5.705 . . . . 0.0 109.663 -178.321 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.2 t 81.93 157.74 0.13 Allowed 'General case' 0 C--N 1.396 2.589 0 C-N-CA 126.725 2.01 . . . . 0.0 114.502 176.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -75.93 -47.3 25.75 Favored 'General case' 0 C--N 1.397 2.643 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 172.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.432 ' OD2' ' NZ ' ' A' ' 10' ' ' LYS . 23.6 p-10 -77.65 67.79 3.61 Favored 'General case' 0 C--N 1.388 2.261 0 N-CA-C 104.022 -2.584 . . . . 0.0 104.022 169.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -37.45 113.57 0.27 Allowed 'General case' 0 C--N 1.394 2.527 0 C-N-CA 129.014 2.926 . . . . 0.0 109.995 -167.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.5 tp 179.57 164.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.403 2.925 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -172.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 23.8 mt -90.53 99.45 9.59 Favored 'Isoleucine or valine' 0 C--N 1.397 2.648 0 N-CA-C 102.954 -2.98 . . . . 0.0 102.954 165.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.523 HH11 ' HG2' ' A' ' 34' ' ' ARG . 4.5 ttp85 -144.48 122.49 12.08 Favored 'General case' 0 C--N 1.382 2.014 0 N-CA-C 103.595 -2.743 . . . . 0.0 103.595 -176.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.6 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -158.8 -173.95 4.52 Favored 'General case' 0 C--N 1.389 2.288 0 C-N-CA 117.535 -1.666 . . . . 0.0 112.754 -156.323 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 175.33 -166.69 38.32 Favored Glycine 0 C--N 1.393 3.736 1 C-N-CA 112.214 -4.803 . . . . 0.0 120.576 -167.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.0 t -74.91 113.61 12.42 Favored 'General case' 0 C--N 1.386 2.153 0 CA-C-N 113.173 -1.514 . . . . 0.0 108.816 -176.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.63 -103.36 0.17 Allowed Glycine 0 C--N 1.396 3.881 0 N-CA-C 106.277 -2.729 . . . . 0.0 106.277 174.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.317 50.2 t 91.53 -45.27 0.02 OUTLIER 'General case' 0 C--N 1.384 2.089 0 CA-C-O 121.705 0.765 . . . . 0.0 112.079 175.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 . . . . . 0 C--N 1.385 2.132 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 -168.664 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.57 3.506 0 N-CA-C 112.221 -0.352 . . . . 0.0 112.221 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -62.21 171.84 4.79 Favored 'Trans proline' 0 C--N 1.392 2.83 0 C-N-CA 121.758 1.639 . . . . 0.0 111.52 166.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -96.59 163.04 13.19 Favored 'General case' 0 C--N 1.386 2.194 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.493 176.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.5 m -148.28 166.68 27.26 Favored 'General case' 0 C--N 1.398 2.698 0 N-CA-C 118.615 2.82 . . . . 0.0 118.615 -163.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.4 t -134.34 158.65 43.25 Favored 'General case' 0 C--N 1.385 2.147 0 CA-C-N 113.309 -1.768 . . . . 0.0 111.119 176.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -115.17 39.97 2.78 Favored 'General case' 0 C--N 1.384 2.103 0 CA-C-O 121.74 0.781 . . . . 0.0 110.228 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 38.5 m -154.55 171.12 19.95 Favored 'General case' 0 C--N 1.384 2.077 0 CA-C-O 122.151 0.976 . . . . 0.0 111.418 178.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -68.78 109.61 3.93 Favored 'General case' 0 CA--C 1.585 2.297 0 CA-C-O 123.063 1.411 . . . . 0.0 109.139 -173.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.269 0.0 OUTLIER 75.0 -73.33 0.1 Allowed 'General case' 0 C--N 1.395 2.555 0 C-N-CA 129.23 3.012 . . . . 0.0 109.821 -179.13 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 24.9 m 75.94 -49.49 0.6 Allowed 'General case' 0 C--N 1.384 2.104 0 C-N-CA 129.11 2.964 . . . . 0.0 110.97 -177.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -158.27 72.68 0.63 Allowed 'General case' 0 C--N 1.383 2.059 0 N-CA-C 104.324 -2.472 . . . . 0.0 104.324 -176.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.419 ' OXT' ' NZ ' ' A' ' 24' ' ' LYS . 47.5 mt . . . . . 0 CA--C 1.615 3.462 0 C-N-CA 125.95 1.7 . . . . 0.0 107.936 -175.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.526 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 1 N--CA 1.539 4.015 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.1 mp -102.17 122.89 54.99 Favored 'Isoleucine or valine' 0 C--N 1.393 2.469 0 CA-C-N 118.94 0.791 . . . . 0.0 109.415 -174.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.2 m -139.21 149.7 44.68 Favored 'General case' 0 C--N 1.391 2.376 0 CA-C-O 122.516 1.151 . . . . 0.0 108.279 169.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -93.31 168.28 11.18 Favored 'General case' 0 C--N 1.387 2.209 0 N-CA-C 115.154 1.539 . . . . 0.0 115.154 -162.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 43.1 p-10 -141.81 24.36 2.03 Favored 'General case' 0 C--N 1.387 2.226 0 C-N-CA 118.539 -1.264 . . . . 0.0 111.368 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.188 18.0 m170 -73.79 -150.88 0.03 OUTLIER 'General case' 0 CA--C 1.585 2.313 0 C-N-CA 125.083 1.353 . . . . 0.0 111.127 -177.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.455 ' H ' ' HA ' ' A' ' 11' ' ' PRO . 30.3 mt 62.3 -174.75 0.14 Allowed 'General case' 0 C--N 1.394 2.504 0 O-C-N 120.548 -1.345 . . . . 0.0 112.253 175.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.72 45.73 90.45 Favored Glycine 0 C--N 1.385 3.251 0 CA-C-O 117.924 -1.487 . . . . 0.0 110.702 179.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 92.4 m 112.53 -41.72 0.0 OUTLIER 'General case' 0 C--N 1.392 2.431 0 C-N-CA 129.932 3.293 . . . . 0.0 110.732 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -135.24 118.37 12.84 Favored Pre-proline 0 C--N 1.384 2.09 0 CA-C-O 118.06 -0.971 . . . . 0.0 110.633 -168.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.455 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 66.1 Cg_exo -87.77 -2.6 7.37 Favored 'Trans proline' 0 CA--C 1.598 3.685 0 N-CA-C 120.819 3.354 . . . . 0.0 120.819 175.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -67.66 -10.32 28.36 Favored 'Trans proline' 0 C--N 1.396 3.063 1 N-CA-C 125.846 5.287 . . . . 0.0 125.846 -174.459 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.7 p -126.58 158.06 37.22 Favored 'General case' 0 C--N 1.392 2.438 0 CA-C-N 125.51 3.777 . . . . 0.0 117.407 -176.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 57.8 p -139.51 157.93 45.0 Favored 'General case' 0 C--N 1.387 2.217 0 CA-C-N 112.414 -2.175 . . . . 0.0 111.578 -173.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -112.55 106.14 14.51 Favored 'General case' 0 C--N 1.39 2.345 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 -177.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.3 m -76.02 105.51 7.1 Favored 'General case' 0 C--N 1.395 2.568 0 N-CA-C 101.559 -3.497 . . . . 0.0 101.559 166.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.0 t -120.57 154.46 35.35 Favored 'General case' 0 C--N 1.393 2.467 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -165.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -110.11 3.38 20.18 Favored 'General case' 0 C--N 1.383 2.04 0 C-N-CA 125.649 1.579 . . . . 0.0 110.553 176.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -89.94 97.45 11.19 Favored 'General case' 0 C--N 1.395 2.555 0 N-CA-C 101.688 -3.449 . . . . 0.0 101.688 172.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.191 30.9 m-20 -42.64 -17.75 0.01 OUTLIER 'General case' 0 CA--C 1.582 2.196 1 C-N-CA 133.23 4.612 . . . . 0.0 118.369 -166.427 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.1 t -129.94 142.2 50.68 Favored 'General case' 0 C--N 1.376 1.751 0 C-N-CA 125.607 1.563 . . . . 0.0 107.333 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -127.12 165.81 18.83 Favored 'General case' 0 C--N 1.383 2.057 0 CA-C-O 122.447 1.117 . . . . 0.0 112.178 177.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 48.7 p90 -138.55 158.69 43.78 Favored 'General case' 0 C--N 1.376 1.755 0 CA-C-N 113.586 -1.643 . . . . 0.0 114.086 -168.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.525 ' HZ3' ' C ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -111.35 119.85 40.24 Favored 'General case' 0 C--N 1.381 1.96 0 CA-C-N 111.58 -2.555 . . . . 0.0 105.598 177.851 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.45 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 4.9 t30 -120.02 119.66 34.04 Favored 'General case' 0 CA--C 1.584 2.25 0 N-CA-C 102.594 -3.113 . . . . 0.0 102.594 -178.089 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.68 35.97 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.397 2.652 0 N-CA-C 115.665 1.728 . . . . 0.0 115.665 -151.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.498 ' N ' ' CD1' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -154.19 -95.29 0.04 OUTLIER 'General case' 0 CA--C 1.575 1.936 0 CA-C-N 113.04 -1.891 . . . . 0.0 106.222 -164.509 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.1 t 77.22 -11.42 1.2 Allowed 'General case' 0 C--N 1.391 2.376 0 CA-C-O 117.327 -1.321 . . . . 0.0 113.465 173.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . 0.312 74.6 t80 89.79 -45.85 0.02 OUTLIER 'General case' 0 C--N 1.392 2.43 0 CA-C-N 121.938 2.154 . . . . 0.0 109.697 -176.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -65.7 -9.85 31.4 Favored 'General case' 0 CA--C 1.584 2.268 0 CA-C-O 118.145 -0.931 . . . . 0.0 110.839 172.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.0 t30 76.17 69.92 0.07 Allowed 'General case' 0 C--N 1.396 2.621 0 C-N-CA 127.354 2.262 . . . . 0.0 107.153 172.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 tp -167.77 164.42 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.392 2.428 0 C-N-CA 117.452 -1.699 . . . . 0.0 113.522 -171.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.5 mt -92.79 102.92 14.12 Favored 'Isoleucine or valine' 0 C--N 1.383 2.027 0 N-CA-C 105.59 -2.004 . . . . 0.0 105.59 174.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.99 120.61 19.39 Favored 'General case' 0 C--N 1.387 2.237 0 N-CA-C 102.644 -3.095 . . . . 0.0 102.644 174.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.413 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -162.54 -161.02 0.69 Allowed 'General case' 0 C--N 1.384 2.104 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.809 -161.834 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 159.27 -155.95 27.05 Favored Glycine 0 C--N 1.388 3.461 0 C-N-CA 115.722 -3.132 . . . . 0.0 115.419 -177.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.1 p -96.09 123.99 39.92 Favored 'General case' 0 C--N 1.385 2.135 0 CA-C-O 123.338 1.542 . . . . 0.0 112.107 -175.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.43 -85.43 0.06 OUTLIER Glycine 0 C--N 1.393 3.71 0 N-CA-C 104.167 -3.573 . . . . 0.0 104.167 173.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.31 51.7 t 82.59 -42.49 0.12 Allowed 'General case' 0 C--N 1.391 2.38 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 171.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 . . . . . 0 C--N 1.386 2.185 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 -166.332 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 CA--C 1.586 4.488 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -73.25 173.07 14.33 Favored 'Trans proline' 0 C--N 1.388 2.615 0 C-N-CA 124.156 3.237 . . . . 0.0 110.894 175.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -96.35 141.05 30.14 Favored 'General case' 0 C--N 1.392 2.434 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 176.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.0 m -123.32 166.71 14.84 Favored 'General case' 0 C--N 1.392 2.444 0 N-CA-C 117.797 2.517 . . . . 0.0 117.797 -167.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.8 t -135.95 162.03 33.99 Favored 'General case' 0 C--N 1.379 1.886 0 CA-C-N 112.003 -2.362 . . . . 0.0 110.689 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . 0.254 0.2 OUTLIER -126.49 38.69 4.08 Favored 'General case' 0 C--N 1.381 1.967 0 CA-C-O 121.752 0.787 . . . . 0.0 109.978 176.092 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.431 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 9.0 t -134.45 173.55 11.51 Favored 'General case' 0 C--N 1.385 2.112 0 C-N-CA 125.106 1.362 . . . . 0.0 110.69 178.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.497 ' CG ' ' NZ ' ' A' ' 56' ' ' LYS . 40.1 t0 -73.72 120.24 19.05 Favored 'General case' 0 CA--C 1.582 2.177 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 -176.303 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.497 ' NZ ' ' CG ' ' A' ' 55' ' ' ASP 0.273 0.0 OUTLIER 71.68 -68.35 0.22 Allowed 'General case' 0 C--N 1.399 2.734 0 C-N-CA 127.25 2.22 . . . . 0.0 111.047 -179.953 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.431 ' SG ' ' HB3' ' A' ' 54' ' ' SER . 13.8 m 60.94 60.05 1.93 Allowed 'General case' 0 C--N 1.38 1.899 0 C-N-CA 127.721 2.408 . . . . 0.0 104.905 -170.548 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 52.8 t30 65.95 88.29 0.11 Allowed 'General case' 0 C--N 1.391 2.386 0 C-N-CA 125.066 1.346 . . . . 0.0 107.437 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.525 ' C ' ' HZ3' ' A' ' 24' ' ' LYS . 20.8 mt . . . . . 0 CA--C 1.6 2.894 0 C-N-CA 128.018 2.527 . . . . 0.0 110.646 176.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.463 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 1 N--CA 1.54 4.029 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.0 mp -87.7 117.0 30.76 Favored 'Isoleucine or valine' 0 C--N 1.397 2.661 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 178.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -146.21 145.64 30.51 Favored 'General case' 0 C--N 1.389 2.311 0 N-CA-C 106.747 -1.575 . . . . 0.0 106.747 174.302 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -93.66 148.13 22.39 Favored 'General case' 0 C--N 1.398 2.676 0 C-N-CA 117.258 -1.777 . . . . 0.0 114.82 -158.174 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -118.24 37.83 3.89 Favored 'General case' 0 C--N 1.389 2.318 0 O-C-N 120.841 -1.162 . . . . 0.0 108.978 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.209 26.0 m170 -81.13 -154.85 0.11 Allowed 'General case' 0 C--N 1.385 2.135 0 C-N-CA 127.207 2.203 . . . . 0.0 113.412 -173.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.303 11.3 mt 59.09 -169.89 0.13 Allowed 'General case' 0 C--N 1.385 2.12 0 CA-C-O 122.183 0.992 . . . . 0.0 111.53 176.096 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.85 -58.35 3.66 Favored Glycine 0 C--N 1.383 3.14 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.545 -177.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.4 m -168.67 -41.09 0.02 OUTLIER 'General case' 0 C--N 1.383 2.03 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 -170.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -114.26 105.78 53.63 Favored Pre-proline 0 CA--C 1.586 2.354 0 N-CA-C 106.376 -1.713 . . . . 0.0 106.376 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_exo -79.79 -0.59 10.81 Favored 'Trans proline' 0 C--N 1.408 3.671 0 N-CA-C 121.718 3.699 . . . . 0.0 121.718 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -81.88 -23.37 4.69 Favored 'Trans proline' 0 C--N 1.4 3.265 1 N-CA-C 125.912 5.312 . . . . 0.0 125.912 -173.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.8 p -83.22 137.08 34.18 Favored 'General case' 0 C--N 1.398 2.682 0 CA-C-N 124.712 3.415 . . . . 0.0 113.475 -173.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 52.9 p -116.93 138.05 51.8 Favored 'General case' 0 C--N 1.375 1.681 0 CA-C-N 112.308 -2.224 . . . . 0.0 105.479 172.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -100.25 93.38 5.66 Favored 'General case' 0 C--N 1.383 2.049 0 N-CA-C 106.163 -1.791 . . . . 0.0 106.163 -171.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.7 t -61.87 127.51 31.77 Favored 'General case' 0 C--N 1.398 2.678 0 N-CA-C 103.501 -2.777 . . . . 0.0 103.501 162.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 1' ' ' ARG . 7.8 t -142.89 146.75 34.36 Favored 'General case' 0 C--N 1.382 2.015 0 CA-C-O 122.886 1.327 . . . . 0.0 110.151 -175.399 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -100.05 2.33 43.21 Favored 'General case' 0 CA--C 1.574 1.895 0 CA-C-N 113.657 -1.611 . . . . 0.0 110.268 -177.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -79.39 115.49 19.06 Favored 'General case' 0 C--N 1.394 2.532 0 N-CA-C 103.453 -2.795 . . . . 0.0 103.453 172.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.21 54.9 m-20 -60.76 1.79 0.13 Allowed 'General case' 0 C--N 1.392 2.452 0 C-N-CA 128.072 2.549 . . . . 0.0 117.276 -166.051 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 86.0 p -150.15 148.16 28.62 Favored 'General case' 0 C--N 1.382 1.996 0 CA-C-N 121.265 1.848 . . . . 0.0 108.035 174.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 p -139.37 155.07 47.9 Favored 'General case' 0 C--N 1.386 2.184 0 CA-C-O 123.476 1.608 . . . . 0.0 113.101 -175.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -134.93 147.78 49.88 Favored 'General case' 0 C--N 1.378 1.83 0 CA-C-N 113.434 -1.712 . . . . 0.0 113.33 -165.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.506 ' HZ3' ' C ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -104.02 126.98 51.55 Favored 'General case' 0 C--N 1.385 2.133 0 CA-C-O 123.707 1.718 . . . . 0.0 106.997 178.286 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.616 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 7.1 t30 -117.82 129.74 55.85 Favored 'General case' 0 CA--C 1.579 2.094 0 N-CA-C 104.443 -2.429 . . . . 0.0 104.443 -175.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.3 pp -137.96 14.38 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.403 2.903 0 N-CA-C 116.853 2.168 . . . . 0.0 116.853 -148.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.616 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -126.34 -104.89 0.34 Allowed 'General case' 0 CA--C 1.585 2.313 1 C-N-CA 132.729 4.412 . . . . 0.0 105.222 -168.898 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.9 t 73.81 163.46 0.27 Allowed 'General case' 0 C--N 1.394 2.502 0 O-C-N 120.903 -1.123 . . . . 0.0 113.043 176.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -69.41 -46.38 66.96 Favored 'General case' 0 C--N 1.395 2.549 0 O-C-N 121.517 -0.74 . . . . 0.0 110.031 178.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -67.04 -5.0 11.26 Favored 'General case' 0 CA--C 1.578 2.053 0 C-N-CA 126.075 1.75 . . . . 0.0 112.161 176.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 65.52 74.85 0.37 Allowed 'General case' 0 C--N 1.398 2.703 0 CA-C-N 122.74 2.518 . . . . 0.0 106.643 174.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.1 tp -162.26 166.87 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.395 2.557 0 C-N-CA 118.524 -1.27 . . . . 0.0 114.313 -171.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -100.85 99.2 7.95 Favored 'Isoleucine or valine' 0 C--N 1.387 2.229 0 N-CA-C 104.973 -2.232 . . . . 0.0 104.973 176.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.47 136.79 16.65 Favored 'General case' 0 C--N 1.387 2.22 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 177.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.93 -171.73 0.67 Allowed 'General case' 0 C--N 1.4 2.784 0 C-N-CA 116.468 -2.093 . . . . 0.0 112.718 -148.169 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -172.66 -157.94 15.7 Favored Glycine 0 C--N 1.393 3.736 0 C-N-CA 113.908 -3.996 . . . . 0.0 117.978 -170.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.2 p -114.12 115.17 27.11 Favored 'General case' 0 C--N 1.387 2.202 0 CA-C-O 123.502 1.62 . . . . 0.0 110.225 -173.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.0 -81.11 0.05 OUTLIER Glycine 0 C--N 1.386 3.341 1 N-CA-C 101.056 -4.818 . . . . 0.0 101.056 177.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.419 ' SG ' ' N ' ' A' ' 40' ' ' PHE 2.362 42.7 t 73.14 -155.49 0.07 Allowed 'General case' 0 C--N 1.392 2.423 0 CA-C-O 123.721 1.724 . . . . 0.0 114.542 168.088 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.419 ' N ' ' SG ' ' A' ' 39' ' ' CYS 0.288 37.5 m-85 . . . . . 0 C--N 1.38 1.922 0 CA-C-N 112.35 -2.205 . . . . 0.0 109.605 179.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 2.243 0 CA-C-O 121.765 0.647 . . . . 0.0 112.184 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -65.16 169.43 12.18 Favored 'Trans proline' 0 C--N 1.386 2.521 0 CA-C-O 123.277 1.282 . . . . 0.0 109.451 167.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.12 109.62 16.59 Favored 'General case' 0 CA--C 1.58 2.099 0 N-CA-C 101.562 -3.495 . . . . 0.0 101.562 177.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 44.7 t -116.94 118.23 31.87 Favored 'General case' 0 C--N 1.395 2.545 0 CA-C-O 123.792 1.758 . . . . 0.0 110.489 -168.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 33.7 t -111.49 176.07 5.17 Favored 'General case' 0 C--N 1.383 2.023 0 C-N-CA 124.866 1.267 . . . . 0.0 113.296 179.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -149.8 63.49 0.99 Allowed 'General case' 0 C--N 1.386 2.187 0 CA-C-O 122.299 1.047 . . . . 0.0 108.998 -172.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.0 m -151.25 166.84 29.69 Favored 'General case' 0 C--N 1.382 2.0 0 C-N-CA 124.717 1.207 . . . . 0.0 109.0 176.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.509 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 25.3 t0 -64.14 120.14 11.52 Favored 'General case' 0 C--N 1.394 2.529 0 N-CA-C 106.458 -1.682 . . . . 0.0 106.458 -178.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.509 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.299 3.7 mptt 74.19 -65.84 0.33 Allowed 'General case' 0 C--N 1.399 2.739 0 C-N-CA 127.139 2.176 . . . . 0.0 109.331 -176.181 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 47.7 t 58.21 65.45 1.28 Allowed 'General case' 0 C--N 1.376 1.76 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -175.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 12.0 t30 63.66 81.16 0.21 Allowed 'General case' 0 C--N 1.387 2.2 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 173.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.506 ' C ' ' HZ3' ' A' ' 24' ' ' LYS . 82.5 mt . . . . . 0 CA--C 1.595 2.701 0 CA-C-O 116.216 -1.85 . . . . 0.0 108.356 176.848 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.485 HH21 ' CG ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 1 N--CA 1.542 4.142 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 . . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.6 mp -90.48 120.9 40.14 Favored 'Isoleucine or valine' 0 C--N 1.39 2.347 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 177.468 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 m -135.15 150.88 50.25 Favored 'General case' 0 C--N 1.388 2.248 0 N-CA-C 107.005 -1.479 . . . . 0.0 107.005 169.546 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -74.67 166.45 23.56 Favored 'General case' 0 C--N 1.384 2.1 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 -172.229 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -160.21 63.6 0.34 Allowed 'General case' 0 C--N 1.387 2.236 0 N-CA-C 103.212 -2.884 . . . . 0.0 103.212 170.693 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.223 17.9 m170 -110.68 -162.59 0.8 Allowed 'General case' 0 C--N 1.386 2.196 0 C-N-CA 127.054 2.142 . . . . 0.0 111.479 177.861 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.579 ' H ' ' HA ' ' A' ' 11' ' ' PRO . 24.8 mt 68.77 -174.21 0.19 Allowed 'General case' 0 C--N 1.38 1.902 0 C-N-CA 126.554 1.942 . . . . 0.0 114.598 175.668 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.76 -82.89 1.61 Allowed Glycine 0 C--N 1.383 3.194 0 N-CA-C 108.207 -1.957 . . . . 0.0 108.207 -179.283 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 85.3 m -117.73 -38.66 3.24 Favored 'General case' 0 C--N 1.378 1.817 0 C-N-CA 124.892 1.277 . . . . 0.0 110.438 -178.155 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -124.94 126.09 25.31 Favored Pre-proline 0 C--N 1.385 2.122 0 CA-C-O 118.034 -0.984 . . . . 0.0 108.908 -177.196 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.579 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 95.4 Cg_exo -87.64 -11.78 4.74 Favored 'Trans proline' 0 C--N 1.407 3.658 0 N-CA-C 121.476 3.606 . . . . 0.0 121.476 179.475 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -88.11 -19.17 2.09 Favored 'Trans proline' 0 C--N 1.4 3.261 1 N-CA-C 126.821 5.662 . . . . 0.0 126.821 -173.446 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 80.0 p -73.77 136.18 43.6 Favored 'General case' 0 C--N 1.395 2.558 0 CA-C-N 124.836 3.471 . . . . 0.0 112.278 -173.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 51.1 p -131.75 137.07 48.05 Favored 'General case' 0 C--N 1.376 1.757 0 CA-C-N 112.78 -2.009 . . . . 0.0 105.58 177.467 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -118.38 114.1 22.41 Favored 'General case' 0 C--N 1.384 2.081 0 CA-C-O 122.659 1.219 . . . . 0.0 110.705 -161.627 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.7 m -82.98 114.61 21.37 Favored 'General case' 0 C--N 1.387 2.236 0 N-CA-C 104.619 -2.363 . . . . 0.0 104.619 175.392 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 t -119.9 148.89 42.95 Favored 'General case' 0 C--N 1.39 2.331 0 O-C-N 120.962 -1.086 . . . . 0.0 112.245 -173.562 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.432 ' CD ' ' H ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -96.23 -14.78 22.44 Favored 'General case' 0 C--N 1.383 2.034 0 C-N-CA 125.707 1.603 . . . . 0.0 111.812 177.526 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -78.58 130.09 35.55 Favored 'General case' 0 C--N 1.394 2.521 0 N-CA-C 104.386 -2.45 . . . . 0.0 104.386 170.179 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.485 ' CG ' HH21 ' A' ' 1' ' ' ARG 2.11 31.6 m-20 -68.4 11.18 0.18 Allowed 'General case' 0 C--N 1.385 2.132 0 C-N-CA 127.734 2.414 . . . . 0.0 117.494 -169.095 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.1 m -153.81 152.07 30.27 Favored 'General case' 0 C--N 1.381 1.973 0 CA-C-N 121.487 1.948 . . . . 0.0 109.15 -177.334 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.0 p -140.62 160.51 39.86 Favored 'General case' 0 C--N 1.38 1.91 0 CA-C-N 114.059 -1.428 . . . . 0.0 112.085 -177.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -123.52 149.14 45.56 Favored 'General case' 0 C--N 1.376 1.733 0 CA-C-N 113.904 -1.498 . . . . 0.0 113.19 -166.747 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.532 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 0.7 OUTLIER -113.44 111.34 21.79 Favored 'General case' 0 C--N 1.386 2.194 0 N-CA-C 104.669 -2.345 . . . . 0.0 104.669 178.217 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.546 ' H ' ' HB3' ' A' ' 35' ' ' ARG . 1.1 t30 -116.46 118.19 32.0 Favored 'General case' 0 CA--C 1.585 2.312 0 N-CA-C 102.633 -3.099 . . . . 0.0 102.633 -177.494 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.71 -24.32 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.401 2.818 0 N-CA-C 117.687 2.477 . . . . 0.0 117.687 -152.858 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.597 ' N ' ' CD1' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -61.54 -101.52 0.0 OUTLIER 'General case' 0 CA--C 1.587 2.391 0 C-N-CA 130.743 3.617 . . . . 0.0 107.474 166.307 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.7 t 73.78 153.99 0.15 Allowed 'General case' 0 C--N 1.394 2.531 0 CA-C-O 123.227 1.489 . . . . 0.0 109.765 -176.242 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -68.13 -32.54 72.89 Favored 'General case' 0 C--N 1.382 2.003 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.794 179.785 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 51.7 p30 -82.66 0.77 41.65 Favored 'General case' 0 CA--C 1.581 2.145 0 C-N-CA 126.343 1.857 . . . . 0.0 112.846 177.724 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 66.85 69.17 0.41 Allowed 'General case' 0 C--N 1.397 2.666 0 CA-C-N 122.164 2.256 . . . . 0.0 106.951 174.121 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 tp -162.39 162.68 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.395 2.561 0 C-N-CA 118.342 -1.343 . . . . 0.0 114.086 -172.415 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.3 mt -94.75 98.14 7.69 Favored 'Isoleucine or valine' 0 C--N 1.388 2.255 0 N-CA-C 105.807 -1.923 . . . . 0.0 105.807 176.898 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.401 HH11 ' HG2' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -141.15 115.03 9.09 Favored 'General case' 0 C--N 1.383 2.048 0 N-CA-C 103.347 -2.834 . . . . 0.0 103.347 -177.263 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.546 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -159.15 -167.42 2.07 Favored 'General case' 0 C--N 1.385 2.137 0 CA-C-N 113.275 -1.784 . . . . 0.0 111.905 -158.659 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 178.59 -164.14 32.46 Favored Glycine 0 C--N 1.39 3.533 1 C-N-CA 113.057 -4.402 . . . . 0.0 119.236 -172.132 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 40.0 t -86.75 112.32 21.57 Favored 'General case' 0 C--N 1.387 2.212 0 CA-C-N 114.118 -1.041 . . . . 0.0 109.029 -176.804 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.23 -82.04 0.05 OUTLIER Glycine 0 C--N 1.393 3.719 0 N-CA-C 105.352 -3.099 . . . . 0.0 105.352 173.322 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.374 17.6 t 64.37 -153.74 0.3 Allowed 'General case' 0 C--N 1.39 2.353 0 C-N-CA 119.115 -1.034 . . . . 0.0 111.061 -177.066 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 . . . . . 0 C--N 1.385 2.132 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 174.098 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 2.333 0 CA-C-O 121.682 0.601 . . . . 0.0 112.835 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -61.2 156.23 46.57 Favored 'Trans proline' 0 C--N 1.39 2.723 0 N-CA-C 107.903 -1.614 . . . . 0.0 107.903 169.732 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -74.39 147.66 41.92 Favored 'General case' 0 C--N 1.392 2.422 0 C-N-CA 117.418 -1.713 . . . . 0.0 110.076 -178.808 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.6 m -118.02 155.4 30.38 Favored 'General case' 0 C--N 1.389 2.286 0 CA-C-O 124.3 2.0 . . . . 0.0 115.258 -171.745 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 45.3 t -134.97 167.91 20.06 Favored 'General case' 0 C--N 1.375 1.7 0 CA-C-N 111.287 -2.688 . . . . 0.0 111.052 -178.202 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -146.99 46.37 1.17 Allowed 'General case' 0 C--N 1.379 1.858 0 CA-C-N 115.619 -0.718 . . . . 0.0 109.629 -179.191 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.5 p -137.3 174.11 10.95 Favored 'General case' 0 C--N 1.386 2.16 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 -175.608 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.481 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 26.2 t0 -73.82 129.37 37.77 Favored 'General case' 0 C--N 1.394 2.529 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 173.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.481 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 41.3 mmtm 73.4 -53.73 0.69 Allowed 'General case' 0 C--N 1.387 2.203 0 C-N-CA 128.09 2.556 . . . . 0.0 113.279 175.432 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 78.2 m 74.52 39.01 0.47 Allowed 'General case' 0 C--N 1.38 1.922 0 C-N-CA 125.826 1.65 . . . . 0.0 110.643 -177.508 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.298 0.2 OUTLIER 56.27 70.51 0.64 Allowed 'General case' 0 C--N 1.391 2.386 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 170.167 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.532 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 14.9 tp . . . . . 0 C--N 1.389 2.308 0 C-N-CA 126.766 2.026 . . . . 0.0 106.307 173.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.497 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.534 3.761 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.8 mp -96.26 130.22 45.23 Favored 'Isoleucine or valine' 0 C--N 1.391 2.389 0 CA-C-O 122.106 0.955 . . . . 0.0 110.742 -175.437 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.9 m -140.99 155.19 46.26 Favored 'General case' 0 C--N 1.389 2.316 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 166.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -95.21 152.34 18.45 Favored 'General case' 0 C--N 1.386 2.173 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -165.832 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.0 p-10 -136.8 32.26 2.72 Favored 'General case' 0 C--N 1.392 2.428 0 C-N-CA 118.987 -1.085 . . . . 0.0 111.777 -174.77 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.212 5.5 m170 -81.25 -145.27 0.05 Allowed 'General case' 0 C--N 1.383 2.042 0 CA-C-O 122.513 1.149 . . . . 0.0 111.24 -173.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.627 ' H ' ' HA ' ' A' ' 11' ' ' PRO . 92.2 mt 62.48 -179.2 0.14 Allowed 'General case' 0 C--N 1.384 2.077 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 172.629 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 46.24 61.3 4.12 Favored Glycine 0 C--N 1.39 3.549 0 CA-C-O 116.71 -2.161 . . . . 0.0 112.117 175.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.2 m 115.83 -41.16 0.01 OUTLIER 'General case' 0 C--N 1.394 2.518 0 C-N-CA 128.984 2.914 . . . . 0.0 110.51 175.739 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -140.57 110.22 6.79 Favored Pre-proline 0 CA--C 1.581 2.157 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -176.362 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.627 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 88.8 Cg_exo -79.52 -6.48 14.55 Favored 'Trans proline' 0 CA--C 1.593 3.454 1 N-CA-C 124.051 4.597 . . . . 0.0 124.051 -177.003 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -92.71 -23.07 0.35 Allowed 'Trans proline' 0 C--N 1.398 3.183 1 N-CA-C 125.353 5.097 . . . . 0.0 125.353 -171.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.2 p -84.56 161.61 20.13 Favored 'General case' 0 C--N 1.393 2.464 0 CA-C-N 123.409 2.822 . . . . 0.0 118.22 -170.374 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 35.3 p -139.41 154.62 47.84 Favored 'General case' 0 C--N 1.377 1.798 0 CA-C-N 110.444 -3.071 . . . . 0.0 109.954 -172.65 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -121.07 96.87 5.27 Favored 'General case' 0 C--N 1.383 2.05 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 -171.221 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.1 t -78.83 116.35 19.11 Favored 'General case' 0 C--N 1.393 2.476 0 N-CA-C 103.269 -2.863 . . . . 0.0 103.269 170.499 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.6 t -140.67 148.46 40.87 Favored 'General case' 0 C--N 1.394 2.506 0 CA-C-O 123.566 1.65 . . . . 0.0 113.365 -164.238 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -95.41 22.01 7.45 Favored 'General case' 0 C--N 1.381 1.948 0 CA-C-N 112.494 -2.139 . . . . 0.0 112.879 -176.57 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -104.02 121.78 43.88 Favored 'General case' 0 C--N 1.383 2.024 0 N-CA-C 102.518 -3.142 . . . . 0.0 102.518 170.471 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.497 ' OD2' ' N ' ' A' ' 1' ' ' ARG 2.17 58.5 m-20 -63.89 2.89 0.44 Allowed 'General case' 0 C--N 1.388 2.271 0 C-N-CA 126.404 1.882 . . . . 0.0 115.577 -172.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.2 p -152.55 159.0 43.31 Favored 'General case' 0 C--N 1.383 2.025 0 CA-C-N 120.317 1.417 . . . . 0.0 108.609 179.249 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.5 p -139.87 163.21 33.24 Favored 'General case' 0 C--N 1.376 1.722 0 CA-C-N 114.527 -1.215 . . . . 0.0 111.358 178.717 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -120.02 155.84 32.08 Favored 'General case' 0 C--N 1.374 1.654 0 CA-C-O 122.692 1.234 . . . . 0.0 113.555 -171.772 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.414 ' HZ3' ' C ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -108.25 112.62 25.2 Favored 'General case' 0 CA--C 1.581 2.165 0 N-CA-C 103.42 -2.808 . . . . 0.0 103.42 174.504 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.586 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 4.2 t30 -117.06 120.26 37.82 Favored 'General case' 0 CA--C 1.584 2.25 0 N-CA-C 103.027 -2.953 . . . . 0.0 103.027 179.358 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -132.91 -27.98 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.402 2.884 0 N-CA-C 118.506 2.78 . . . . 0.0 118.506 -153.847 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.586 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -66.1 -110.2 0.0 OUTLIER 'General case' 0 CA--C 1.585 2.292 1 C-N-CA 133.242 4.617 . . . . 0.0 108.229 176.321 . . . . . . . . 4 4 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 t 79.34 157.39 0.16 Allowed 'General case' 0 C--N 1.395 2.572 0 C-N-CA 124.755 1.222 . . . . 0.0 112.325 179.087 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -65.68 -52.97 47.32 Favored 'General case' 0 C--N 1.397 2.637 0 N-CA-C 106.616 -1.624 . . . . 0.0 106.616 172.699 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -78.42 87.07 4.44 Favored 'General case' 0 C--N 1.382 2.014 0 N-CA-C 103.664 -2.717 . . . . 0.0 103.664 173.754 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -52.28 112.6 0.83 Allowed 'General case' 0 C--N 1.397 2.638 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -168.578 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 tp -170.62 157.96 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.4 2.795 0 C-N-CA 118.536 -1.266 . . . . 0.0 112.874 -174.621 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.8 mp -98.95 99.89 9.44 Favored 'Isoleucine or valine' 0 C--N 1.388 2.274 0 N-CA-C 104.563 -2.384 . . . . 0.0 104.563 179.578 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.68 107.02 5.79 Favored 'General case' 0 C--N 1.38 1.915 0 N-CA-C 102.021 -3.326 . . . . 0.0 102.021 -174.894 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.474 ' HB3' ' H ' ' A' ' 25' ' ' ASN 0.254 0.0 OUTLIER -147.29 -165.17 2.18 Favored 'General case' 0 C--N 1.386 2.19 0 CA-C-N 113.977 -1.465 . . . . 0.0 113.476 -158.763 . . . . . . . . 4 4 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 174.29 -175.98 46.66 Favored Glycine 0 C--N 1.395 3.809 1 C-N-CA 113.078 -4.392 . . . . 0.0 119.859 -169.726 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.6 p -85.9 118.02 25.12 Favored 'General case' 0 C--N 1.393 2.458 0 CA-C-O 123.311 1.529 . . . . 0.0 109.727 -178.64 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.5 -94.61 0.1 OUTLIER Glycine 0 C--N 1.391 3.613 0 N-CA-C 104.081 -3.608 . . . . 0.0 104.081 175.448 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.345 51.1 t 71.52 -158.37 0.12 Allowed 'General case' 0 C--N 1.386 2.181 0 CA-C-O 122.007 0.908 . . . . 0.0 112.421 179.003 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 . . . . . 0 CA--C 1.58 2.13 0 CA-C-N 114.959 -1.018 . . . . 0.0 108.417 177.082 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.567 3.339 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -71.74 165.23 33.18 Favored 'Trans proline' 0 C--N 1.39 2.754 0 N-CA-C 108.273 -1.472 . . . . 0.0 108.273 168.782 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.402 ' CE2' ' HB3' ' A' ' 24' ' ' LYS . 6.5 p90 -96.39 145.1 25.93 Favored 'General case' 0 C--N 1.383 2.028 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.378 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.2 m -119.56 157.94 27.35 Favored 'General case' 0 C--N 1.391 2.405 0 N-CA-C 116.733 2.123 . . . . 0.0 116.733 -165.72 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.4 t -134.86 160.43 38.27 Favored 'General case' 0 C--N 1.382 1.99 0 CA-C-N 113.295 -1.775 . . . . 0.0 110.251 177.221 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -134.95 53.89 1.97 Allowed 'General case' 0 C--N 1.386 2.161 0 CA-C-O 122.512 1.148 . . . . 0.0 110.536 -172.761 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.0 t -151.32 169.92 20.78 Favored 'General case' 0 C--N 1.377 1.788 0 C-N-CA 126.618 1.967 . . . . 0.0 107.633 174.108 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.538 ' CG ' ' NZ ' ' A' ' 56' ' ' LYS . 35.3 p-10 -69.37 140.15 54.21 Favored 'General case' 0 C--N 1.388 2.25 0 C-N-CA 117.302 -1.759 . . . . 0.0 108.468 172.734 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.538 ' NZ ' ' CG ' ' A' ' 55' ' ' ASP . 1.0 OUTLIER 70.71 -80.35 0.04 OUTLIER 'General case' 0 C--N 1.391 2.372 0 C-N-CA 125.384 1.474 . . . . 0.0 111.173 177.244 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.26 56.9 m 68.03 70.88 0.32 Allowed 'General case' 0 C--N 1.384 2.071 0 N-CA-C 102.731 -3.063 . . . . 0.0 102.731 -165.62 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.25 29.3 t30 81.18 -62.76 0.19 Allowed 'General case' 0 C--N 1.39 2.342 0 C-N-CA 129.813 3.245 . . . . 0.0 108.797 -178.64 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.414 ' C ' ' HZ3' ' A' ' 24' ' ' LYS . 2.5 pt? . . . . . 0 CA--C 1.58 2.134 0 N-CA-C 103.888 -2.634 . . . . 0.0 103.888 175.91 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 1 N--CA 1.546 4.367 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.4 mp -93.14 124.26 45.51 Favored 'Isoleucine or valine' 0 C--N 1.395 2.561 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 178.064 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -142.38 178.96 7.23 Favored 'General case' 0 C--N 1.385 2.126 0 O-C-N 121.34 -0.85 . . . . 0.0 109.75 173.212 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -107.31 160.59 15.5 Favored 'General case' 0 C--N 1.382 1.985 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -172.547 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 45.0 p-10 -158.74 36.05 0.22 Allowed 'General case' 0 C--N 1.392 2.42 0 C-N-CA 118.966 -1.094 . . . . 0.0 109.797 -179.678 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.2 6.7 m170 -77.26 -159.62 0.14 Allowed 'General case' 0 C--N 1.384 2.097 0 C-N-CA 125.061 1.344 . . . . 0.0 112.848 -176.888 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.509 ' H ' ' HA ' ' A' ' 11' ' ' PRO 0.342 84.7 mt 69.04 -176.33 0.2 Allowed 'General case' 0 C--N 1.384 2.066 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 172.05 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.51 -97.36 1.82 Allowed Glycine 0 C--N 1.384 3.242 0 N-CA-C 106.382 -2.687 . . . . 0.0 106.382 -167.236 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.0 m -103.32 -43.0 5.56 Favored 'General case' 0 C--N 1.383 2.022 0 C-N-CA 124.412 1.085 . . . . 0.0 111.227 -178.121 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -117.33 121.18 32.54 Favored Pre-proline 0 C--N 1.385 2.139 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -174.78 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.509 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 91.1 Cg_exo -81.78 -19.86 6.99 Favored 'Trans proline' 0 CA--C 1.59 3.318 0 N-CA-C 119.377 2.799 . . . . 0.0 119.377 -179.868 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.6 OUTLIER -79.27 -15.34 12.77 Favored 'Trans proline' 0 C--N 1.4 3.246 1 N-CA-C 127.877 6.068 . . . . 0.0 127.877 -174.568 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.7 p -82.28 137.01 34.95 Favored 'General case' 0 C--N 1.397 2.644 1 CA-C-N 126.503 4.229 . . . . 0.0 114.707 -172.436 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 58.8 p -142.44 141.32 32.18 Favored 'General case' 0 C--N 1.376 1.757 0 C-N-CA 129.188 2.995 . . . . 0.0 105.357 178.649 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -168.55 153.41 6.21 Favored 'General case' 0 C--N 1.387 2.208 0 C-N-CA 115.021 -2.672 . . . . 0.0 114.21 -165.895 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.1 t -73.23 132.25 42.95 Favored 'General case' 0 C--N 1.386 2.164 0 CA-C-N 113.548 -1.66 . . . . 0.0 108.032 175.895 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.6 t -127.84 150.34 49.89 Favored 'General case' 0 C--N 1.381 1.936 0 CA-C-O 123.828 1.775 . . . . 0.0 110.41 179.761 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -90.36 -18.76 24.93 Favored 'General case' 0 C--N 1.376 1.757 0 CA-C-N 111.906 -2.406 . . . . 0.0 112.046 -174.105 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -76.01 124.59 27.63 Favored 'General case' 0 C--N 1.394 2.518 0 N-CA-C 105.323 -2.102 . . . . 0.0 105.323 172.805 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.109 37.2 m-20 -66.23 4.73 0.65 Allowed 'General case' 0 CA--C 1.581 2.166 0 C-N-CA 127.824 2.449 . . . . 0.0 116.443 -172.027 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.0 t -140.91 139.82 34.4 Favored 'General case' 0 C--N 1.382 1.984 0 CA-C-N 120.727 1.603 . . . . 0.0 107.705 -178.087 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.2 p -140.14 140.3 35.96 Favored 'General case' 0 C--N 1.388 2.272 0 CA-C-O 124.089 1.899 . . . . 0.0 110.585 179.683 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -127.51 155.2 44.12 Favored 'General case' 0 C--N 1.384 2.101 0 CA-C-N 113.313 -1.767 . . . . 0.0 115.449 -158.265 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -98.02 107.26 19.7 Favored 'General case' 0 C--N 1.389 2.313 0 N-CA-C 106.082 -1.821 . . . . 0.0 106.082 -179.132 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.514 ' H ' ' HB3' ' A' ' 35' ' ' ARG . 2.0 t30 -117.58 117.48 29.52 Favored 'General case' 0 CA--C 1.58 2.128 0 N-CA-C 104.924 -2.251 . . . . 0.0 104.924 -177.686 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.06 -22.15 2.41 Favored 'Isoleucine or valine' 0 C--N 1.393 2.49 0 N-CA-C 115.856 1.798 . . . . 0.0 115.856 -154.636 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.53 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -84.75 -99.25 0.06 Allowed 'General case' 0 CA--C 1.578 2.054 1 C-N-CA 134.206 5.002 . . . . 0.0 107.865 179.496 . . . . . . . . 4 4 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.2 t 72.92 157.4 0.19 Allowed 'General case' 0 C--N 1.393 2.464 0 C-N-CA 124.903 1.281 . . . . 0.0 108.882 -174.101 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -60.21 -54.37 46.65 Favored 'General case' 0 C--N 1.387 2.234 0 N-CA-C 107.694 -1.225 . . . . 0.0 107.694 177.245 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -65.54 105.48 1.21 Allowed 'General case' 0 C--N 1.381 1.974 0 N-CA-C 103.813 -2.662 . . . . 0.0 103.813 168.406 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -63.09 110.9 1.97 Allowed 'General case' 0 C--N 1.403 2.923 0 O-C-N 120.199 -1.563 . . . . 0.0 106.971 -172.385 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.6 tp -173.3 151.93 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.396 2.623 0 CA-C-O 122.732 1.253 . . . . 0.0 110.158 -168.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 24.1 mt -85.41 115.79 27.61 Favored 'Isoleucine or valine' 0 C--N 1.386 2.175 0 N-CA-C 104.484 -2.413 . . . . 0.0 104.484 172.109 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.442 HH11 ' HG2' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -155.77 85.85 1.05 Allowed 'General case' 0 C--N 1.386 2.174 0 N-CA-C 102.147 -3.279 . . . . 0.0 102.147 -179.157 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.514 ' HB3' ' H ' ' A' ' 25' ' ' ASN 0.255 0.0 OUTLIER -110.81 -170.85 1.71 Allowed 'General case' 0 C--N 1.374 1.633 0 CA-C-N 110.715 -2.948 . . . . 0.0 114.081 -168.39 . . . . . . . . 4 4 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -179.76 -173.23 44.63 Favored Glycine 0 C--N 1.398 3.975 1 C-N-CA 111.881 -4.961 . . . . 0.0 119.283 -169.026 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.8 p -104.89 106.37 16.83 Favored 'General case' 0 C--N 1.383 2.048 0 CA-C-O 122.931 1.348 . . . . 0.0 108.337 -179.386 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.78 -87.87 0.07 OUTLIER Glycine 0 C--N 1.389 3.508 0 N-CA-C 104.373 -3.491 . . . . 0.0 104.373 177.283 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.367 36.0 t 68.01 -144.74 0.12 Allowed 'General case' 0 C--N 1.389 2.31 0 CA-C-O 122.174 0.988 . . . . 0.0 110.366 177.603 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 . . . . . 0 C--N 1.385 2.142 0 C-N-CA 124.758 1.223 . . . . 0.0 110.508 177.756 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.568 3.352 0 N-CA-C 104.935 -3.266 . . . . 0.0 104.935 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -54.47 164.33 3.05 Favored 'Trans proline' 0 C--N 1.388 2.649 0 C-N-CA 121.485 1.457 . . . . 0.0 110.936 173.819 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -81.04 126.4 31.38 Favored 'General case' 0 C--N 1.386 2.178 0 N-CA-C 104.157 -2.534 . . . . 0.0 104.157 177.338 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.2 m -113.72 141.11 47.66 Favored 'General case' 0 C--N 1.393 2.482 0 CA-C-O 122.812 1.292 . . . . 0.0 112.355 -165.045 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 19.4 t -112.9 168.57 9.58 Favored 'General case' 0 C--N 1.383 2.055 0 C-N-CA 124.61 1.164 . . . . 0.0 111.175 178.184 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -133.68 44.55 2.76 Favored 'General case' 0 C--N 1.384 2.078 0 CA-C-O 121.26 0.552 . . . . 0.0 110.775 178.46 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.4 t -142.5 172.57 12.51 Favored 'General case' 0 C--N 1.384 2.094 0 CA-C-O 121.047 0.451 . . . . 0.0 110.681 177.574 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.535 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 26.2 t70 -68.16 103.1 1.47 Allowed 'General case' 0 CA--C 1.587 2.402 0 N-CA-C 105.001 -2.222 . . . . 0.0 105.001 -177.342 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.535 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.276 7.5 mptt 72.54 -63.99 0.41 Allowed 'General case' 0 C--N 1.397 2.652 0 C-N-CA 127.933 2.493 . . . . 0.0 111.99 -179.894 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 31.5 p 53.91 57.67 5.79 Favored 'General case' 0 C--N 1.383 2.062 0 C-N-CA 127.508 2.323 . . . . 0.0 105.658 -173.406 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.0 m120 66.42 91.69 0.08 Allowed 'General case' 0 C--N 1.394 2.52 0 C-N-CA 125.649 1.58 . . . . 0.0 107.01 178.256 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 24.1 tp . . . . . 0 C--N 1.39 2.326 0 CA-C-O 115.453 -2.213 . . . . 0.0 105.626 175.413 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.3 tpp85 . . . . . 1 N--CA 1.541 4.104 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.0 mp -91.04 118.41 36.24 Favored 'Isoleucine or valine' 0 C--N 1.394 2.511 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 -178.187 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -140.49 149.04 42.0 Favored 'General case' 0 C--N 1.389 2.287 0 CA-C-O 122.879 1.323 . . . . 0.0 109.354 174.277 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -68.42 157.79 35.06 Favored 'General case' 0 C--N 1.383 2.048 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -170.261 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -135.16 36.25 3.02 Favored 'General case' 0 C--N 1.39 2.35 0 C-N-CA 119.434 -0.906 . . . . 0.0 108.837 170.25 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.232 22.4 m170 -77.27 -174.15 3.13 Favored 'General case' 0 C--N 1.393 2.486 0 N-CA-C 117.519 2.414 . . . . 0.0 117.519 -163.689 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.8 mt 68.43 -170.34 0.18 Allowed 'General case' 0 C--N 1.387 2.203 0 N-CA-C 114.928 1.455 . . . . 0.0 114.928 172.785 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.74 -52.38 4.2 Favored Glycine 0 C--N 1.387 3.384 0 CA-C-N 114.856 -1.066 . . . . 0.0 111.374 -176.526 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.5 m -160.95 -38.05 0.05 OUTLIER 'General case' 0 C--N 1.377 1.775 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 -175.374 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -117.77 116.18 36.62 Favored Pre-proline 0 CA--C 1.585 2.296 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 -179.245 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_exo -86.23 -11.26 6.36 Favored 'Trans proline' 0 C--N 1.406 3.556 0 N-CA-C 120.645 3.286 . . . . 0.0 120.645 178.739 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -85.74 -16.21 4.62 Favored 'Trans proline' 0 C--N 1.399 3.189 1 N-CA-C 126.052 5.366 . . . . 0.0 126.052 -174.025 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.4 p -94.54 155.57 16.85 Favored 'General case' 0 C--N 1.394 2.504 0 CA-C-N 125.321 3.691 . . . . 0.0 116.455 -173.355 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 73.7 p -132.16 150.73 52.08 Favored 'General case' 0 C--N 1.378 1.818 0 CA-C-N 112.035 -2.348 . . . . 0.0 108.963 178.754 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -98.81 102.54 14.31 Favored 'General case' 0 C--N 1.376 1.741 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 -174.764 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.5 m -73.01 103.51 3.81 Favored 'General case' 0 C--N 1.395 2.581 0 N-CA-C 100.982 -3.71 . . . . 0.0 100.982 169.037 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.1 t -121.33 150.66 41.11 Favored 'General case' 0 C--N 1.388 2.278 0 CA-C-O 124.194 1.95 . . . . 0.0 113.096 -166.721 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -82.34 -17.71 44.72 Favored 'General case' 0 C--N 1.376 1.741 0 CA-C-N 111.893 -2.412 . . . . 0.0 111.291 -179.514 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -71.3 133.89 46.38 Favored 'General case' 0 C--N 1.395 2.574 0 CA-C-N 121.229 1.831 . . . . 0.0 107.429 175.481 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.122 93.8 m-20 -56.14 -35.0 66.63 Favored 'General case' 0 C--N 1.383 2.031 0 C-N-CA 130.946 3.698 . . . . 0.0 114.644 -175.166 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.3 t -131.54 163.99 26.8 Favored 'General case' 0 C--N 1.379 1.863 0 C-N-CA 125.932 1.693 . . . . 0.0 110.509 -174.57 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.6 p -147.81 150.44 34.2 Favored 'General case' 0 C--N 1.395 2.58 0 CA-C-O 123.824 1.773 . . . . 0.0 115.687 -178.594 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -112.29 157.18 21.26 Favored 'General case' 0 C--N 1.388 2.279 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 -164.922 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.578 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 59.7 mmtt -105.66 112.93 26.2 Favored 'General case' 0 C--N 1.384 2.098 0 C-N-CA 126.639 1.976 . . . . 0.0 107.569 178.692 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.594 HD21 HG22 ' A' ' 28' ' ' THR . 0.8 OUTLIER -115.81 118.81 34.06 Favored 'General case' 0 CA--C 1.583 2.244 0 N-CA-C 102.733 -3.062 . . . . 0.0 102.733 176.988 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.23 1.28 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.398 2.694 0 N-CA-C 117.179 2.289 . . . . 0.0 117.179 -156.131 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.506 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -104.69 -99.47 0.32 Allowed 'General case' 0 CA--C 1.58 2.12 1 C-N-CA 133.766 4.827 . . . . 0.0 106.62 -175.428 . . . . . . . . 4 4 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.594 HG22 HD21 ' A' ' 25' ' ' ASN 0.283 1.1 t 70.61 -179.48 0.23 Allowed 'General case' 0 C--N 1.39 2.335 0 C-N-CA 125.583 1.553 . . . . 0.0 112.116 -179.453 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -72.1 -62.76 1.31 Allowed 'General case' 0 C--N 1.388 2.273 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 174.479 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -64.7 110.69 2.46 Favored 'General case' 0 C--N 1.38 1.925 0 N-CA-C 102.728 -3.064 . . . . 0.0 102.728 170.649 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -68.74 102.47 1.53 Allowed 'General case' 0 C--N 1.396 2.628 0 N-CA-C 105.773 -1.936 . . . . 0.0 105.773 -168.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 tp -171.87 159.87 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.4 2.794 0 C-N-CA 116.078 -2.249 . . . . 0.0 112.95 -162.618 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.1 mt -97.67 118.33 43.97 Favored 'Isoleucine or valine' 0 C--N 1.39 2.339 0 N-CA-C 106.303 -1.739 . . . . 0.0 106.303 176.115 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.626 HH11 ' HG2' ' A' ' 34' ' ' ARG . 0.6 OUTLIER -159.64 84.94 0.76 Allowed 'General case' 0 C--N 1.384 2.08 0 N-CA-C 103.068 -2.938 . . . . 0.0 103.068 -172.971 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.554 ' HB3' ' H ' ' A' ' 25' ' ' ASN 0.25 0.0 OUTLIER -114.09 -165.71 1.03 Allowed 'General case' 0 C--N 1.374 1.642 0 CA-C-N 111.521 -2.581 . . . . 0.0 113.528 -166.406 . . . . . . . . 4 4 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -179.52 -177.36 47.76 Favored Glycine 0 C--N 1.39 3.576 0 C-N-CA 114.255 -3.831 . . . . 0.0 117.875 -178.94 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.1 p -73.16 126.51 30.21 Favored 'General case' 0 C--N 1.388 2.244 0 CA-C-O 122.874 1.321 . . . . 0.0 110.04 178.602 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.82 -82.2 0.05 OUTLIER Glycine 0 C--N 1.393 3.714 0 N-CA-C 105.867 -2.893 . . . . 0.0 105.867 173.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.286 53.9 t 89.08 -81.41 0.01 OUTLIER 'General case' 0 C--N 1.391 2.382 0 CA-C-O 123.408 1.575 . . . . 0.0 109.119 179.82 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.571 1.759 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 -172.313 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.563 3.074 0 CA-C-O 121.597 0.554 . . . . 0.0 112.899 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -82.07 171.2 13.02 Favored 'Trans proline' 0 C--N 1.384 2.425 0 C-N-CA 123.87 3.046 . . . . 0.0 110.941 176.211 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -101.41 155.81 17.83 Favored 'General case' 0 C--N 1.386 2.17 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.19 179.454 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 43.4 t -115.88 149.7 38.24 Favored 'General case' 0 C--N 1.394 2.518 0 N-CA-C 118.029 2.603 . . . . 0.0 118.029 -161.781 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.1 t -128.32 152.4 48.19 Favored 'General case' 0 C--N 1.384 2.088 0 C-N-CA 127.806 2.443 . . . . 0.0 107.7 168.613 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.6 68.31 1.24 Allowed 'General case' 0 C--N 1.376 1.736 0 N-CA-C 104.617 -2.364 . . . . 0.0 104.617 176.354 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.3 t -162.17 162.99 28.64 Favored 'General case' 0 C--N 1.38 1.907 0 C-N-CA 117.283 -1.767 . . . . 0.0 110.641 -176.486 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.51 ' OD1' ' NZ ' ' A' ' 56' ' ' LYS . 24.6 t0 -64.0 127.15 30.16 Favored 'General case' 0 CA--C 1.582 2.199 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 175.284 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.51 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 39.2 mmtm 78.71 -89.19 0.02 OUTLIER 'General case' 0 C--N 1.394 2.524 0 C-N-CA 125.211 1.404 . . . . 0.0 112.363 172.038 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.29 21.4 m 84.14 33.78 0.05 OUTLIER 'General case' 0 CA--C 1.597 2.757 0 C-N-CA 126.956 2.102 . . . . 0.0 112.34 -177.552 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.407 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 60.8 m-20 65.45 70.69 0.45 Allowed 'General case' 0 C--N 1.393 2.499 0 C-N-CA 125.71 1.604 . . . . 0.0 109.805 172.619 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.578 ' C ' ' NZ ' ' A' ' 24' ' ' LYS 0.256 0.9 OUTLIER . . . . . 0 CA--C 1.589 2.446 0 C-N-CA 126.844 2.057 . . . . 0.0 106.133 -179.244 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.458 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.534 3.759 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 69.2 mt -93.23 118.17 38.36 Favored 'Isoleucine or valine' 0 C--N 1.389 2.326 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 177.343 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.6 m -136.06 160.13 39.59 Favored 'General case' 0 C--N 1.381 1.959 0 CA-C-N 115.118 -0.947 . . . . 0.0 108.692 174.07 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -98.05 136.65 37.99 Favored 'General case' 0 C--N 1.389 2.3 0 C-N-CA 118.342 -1.343 . . . . 0.0 110.738 -169.499 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -123.3 51.92 1.43 Allowed 'General case' 0 C--N 1.391 2.377 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 173.756 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.145 3.6 m170 -86.69 -166.56 1.6 Allowed 'General case' 0 C--N 1.381 1.958 0 C-N-CA 126.968 2.107 . . . . 0.0 110.588 173.85 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.479 ' H ' ' HA ' ' A' ' 11' ' ' PRO 0.349 5.1 mp 75.43 -175.69 0.13 Allowed 'General case' 0 C--N 1.381 1.94 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 169.835 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.93 -41.65 2.5 Favored Glycine 0 C--N 1.387 3.401 0 N-CA-C 108.869 -1.692 . . . . 0.0 108.869 -162.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.2 m -175.98 -41.85 0.01 OUTLIER 'General case' 0 C--N 1.386 2.16 0 C-N-CA 125.844 1.658 . . . . 0.0 106.88 -175.858 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -111.36 109.75 56.21 Favored Pre-proline 0 CA--C 1.593 2.611 0 CA-C-O 117.632 -1.175 . . . . 0.0 109.609 -174.186 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.479 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 18.3 Cg_endo -83.71 7.23 5.32 Favored 'Trans proline' 0 CA--C 1.604 3.981 0 N-CA-C 121.937 3.783 . . . . 0.0 121.937 179.388 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -85.85 -24.5 1.77 Allowed 'Trans proline' 0 C--N 1.404 3.454 1 N-CA-C 125.627 5.203 . . . . 0.0 125.627 -175.36 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.9 p -78.58 141.99 37.66 Favored 'General case' 0 C--N 1.397 2.648 0 CA-C-N 125.001 3.546 . . . . 0.0 113.186 -175.573 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 73.0 p -124.76 147.34 48.72 Favored 'General case' 0 C--N 1.378 1.814 0 CA-C-N 112.237 -2.256 . . . . 0.0 109.172 -177.229 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -118.76 99.61 6.88 Favored 'General case' 0 C--N 1.379 1.869 0 CA-C-N 113.74 -1.573 . . . . 0.0 107.653 -163.13 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 96.8 m -87.56 94.45 9.72 Favored 'General case' 0 C--N 1.387 2.239 0 N-CA-C 103.084 -2.932 . . . . 0.0 103.084 179.199 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.5 t -118.13 152.25 35.99 Favored 'General case' 0 C--N 1.39 2.362 0 CA-C-O 123.332 1.539 . . . . 0.0 113.429 -167.841 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -87.32 -20.57 26.6 Favored 'General case' 0 C--N 1.381 1.938 0 CA-C-N 112.259 -2.246 . . . . 0.0 112.819 -176.112 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -65.12 135.8 55.94 Favored 'General case' 0 C--N 1.397 2.652 0 N-CA-C 105.315 -2.105 . . . . 0.0 105.315 167.841 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.117 39.1 m-20 -80.01 5.2 14.7 Favored 'General case' 0 C--N 1.386 2.164 0 C-N-CA 127.043 2.137 . . . . 0.0 115.64 -173.452 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.0 t -143.76 130.42 20.2 Favored 'General case' 0 C--N 1.378 1.842 0 N-CA-C 104.244 -2.502 . . . . 0.0 104.244 -177.438 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -125.99 144.02 50.87 Favored 'General case' 0 C--N 1.378 1.806 0 CA-C-O 123.999 1.857 . . . . 0.0 108.317 174.219 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -116.58 165.96 12.65 Favored 'General case' 0 C--N 1.369 1.448 0 CA-C-N 113.298 -1.774 . . . . 0.0 113.145 -168.085 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.413 ' NZ ' ' O ' ' A' ' 58' ' ' ASN . 2.1 tppt? -100.79 115.43 30.3 Favored 'General case' 0 CA--C 1.581 2.157 0 N-CA-C 103.719 -2.697 . . . . 0.0 103.719 178.149 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.434 HD21 HG22 ' A' ' 28' ' ' THR . 0.6 OUTLIER -115.9 119.35 35.68 Favored 'General case' 0 C--N 1.382 1.996 0 N-CA-C 101.805 -3.406 . . . . 0.0 101.805 179.609 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.58 -24.3 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.396 2.617 0 N-CA-C 115.938 1.829 . . . . 0.0 115.938 -151.544 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.553 ' N ' ' CD1' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -73.14 -110.78 0.01 OUTLIER 'General case' 0 CA--C 1.592 2.587 1 C-N-CA 133.027 4.531 . . . . 0.0 106.818 172.505 . . . . . . . . 4 4 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.434 HG22 HD21 ' A' ' 25' ' ' ASN . 6.5 t 75.19 151.59 0.12 Allowed 'General case' 0 C--N 1.397 2.635 0 C-N-CA 125.138 1.375 . . . . 0.0 109.541 -175.891 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -62.19 -54.72 36.95 Favored 'General case' 0 C--N 1.392 2.448 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 178.733 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -67.37 100.73 0.86 Allowed 'General case' 0 C--N 1.382 1.994 0 N-CA-C 102.648 -3.093 . . . . 0.0 102.648 168.381 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -63.15 115.86 4.87 Favored 'General case' 0 C--N 1.402 2.857 0 N-CA-C 106.055 -1.831 . . . . 0.0 106.055 -171.283 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 tp -168.2 155.93 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.394 2.51 0 CA-C-O 121.921 0.867 . . . . 0.0 110.086 -169.217 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 55.8 mt -95.67 111.92 26.99 Favored 'Isoleucine or valine' 0 C--N 1.388 2.265 0 N-CA-C 104.02 -2.585 . . . . 0.0 104.02 170.544 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.42 HH11 ' HG2' ' A' ' 34' ' ' ARG . 12.3 ttp85 -148.12 104.92 3.59 Favored 'General case' 0 C--N 1.381 1.95 0 N-CA-C 100.668 -3.827 . . . . 0.0 100.668 -177.824 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.35 -178.79 5.91 Favored 'General case' 0 C--N 1.387 2.216 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -157.949 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 174.21 -172.78 45.62 Favored Glycine 0 C--N 1.396 3.913 1 C-N-CA 112.462 -4.685 . . . . 0.0 119.177 -171.842 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.5 p -75.75 113.73 13.55 Favored 'General case' 0 C--N 1.385 2.118 0 CA-C-O 123.791 1.758 . . . . 0.0 109.648 -176.855 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.13 -113.53 0.28 Allowed Glycine 0 C--N 1.389 3.527 0 N-CA-C 104.358 -3.497 . . . . 0.0 104.358 172.205 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.45 3.2 p 66.43 -154.2 0.24 Allowed 'General case' 0 C--N 1.39 2.354 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 173.507 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 . . . . . 0 C--N 1.388 2.247 0 CA-C-N 113.544 -1.662 . . . . 0.0 106.841 -175.952 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.554 2.504 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_exo -54.93 167.46 1.59 Allowed 'Trans proline' 0 C--N 1.382 2.337 0 C-N-CA 122.371 2.047 . . . . 0.0 113.335 169.669 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -83.91 121.14 26.95 Favored 'General case' 0 CA--C 1.578 2.021 0 N-CA-C 102.638 -3.097 . . . . 0.0 102.638 177.125 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.6 m -109.57 134.61 51.72 Favored 'General case' 0 C--N 1.397 2.67 0 O-C-N 120.446 -1.409 . . . . 0.0 110.899 -166.276 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.9 t -126.06 158.57 35.08 Favored 'General case' 0 C--N 1.39 2.362 0 C-N-CA 123.814 0.846 . . . . 0.0 112.88 -172.92 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.18 40.5 3.66 Favored 'General case' 0 C--N 1.38 1.919 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -175.381 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 64.9 m -132.42 160.54 36.08 Favored 'General case' 0 C--N 1.383 2.031 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -173.506 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.501 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 19.8 t0 -70.18 132.66 46.12 Favored 'General case' 0 C--N 1.398 2.699 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 174.506 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.501 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.263 36.6 mmtm 73.91 -67.65 0.25 Allowed 'General case' 0 C--N 1.391 2.372 0 C-N-CA 126.432 1.893 . . . . 0.0 106.853 -177.563 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.284 48.6 t 79.61 58.36 0.02 OUTLIER 'General case' 0 C--N 1.376 1.738 0 C-N-CA 126.874 2.07 . . . . 0.0 107.392 178.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.413 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 7.1 m120 65.65 66.25 0.52 Allowed 'General case' 0 C--N 1.392 2.431 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 162.649 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER . . . . . 0 CA--C 1.588 2.416 0 N-CA-C 103.717 -2.697 . . . . 0.0 103.717 -175.485 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.465 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 40.0 mtt85 . . . . . 0 N--CA 1.536 3.846 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -94.78 120.9 44.85 Favored 'Isoleucine or valine' 0 C--N 1.39 2.349 0 CA-C-O 122.451 1.12 . . . . 0.0 109.155 -172.396 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.7 m -141.31 143.36 34.01 Favored 'General case' 0 CA--C 1.595 2.702 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 176.156 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -93.12 150.22 20.67 Favored 'General case' 0 C--N 1.404 2.954 0 N-CA-C 116.351 1.982 . . . . 0.0 116.351 -160.331 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -118.55 20.87 12.84 Favored 'General case' 0 C--N 1.392 2.434 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 177.071 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.151 7.5 m170 -77.4 -153.83 0.06 Allowed 'General case' 0 C--N 1.382 1.995 0 C-N-CA 126.377 1.871 . . . . 0.0 110.721 -178.25 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.512 ' H ' ' HA ' ' A' ' 11' ' ' PRO 0.328 2.7 mp 67.81 -166.15 0.2 Allowed 'General case' 0 C--N 1.379 1.887 0 CA-C-O 122.091 0.948 . . . . 0.0 111.122 172.809 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.575 ' H ' HG12 ' A' ' 32' ' ' ILE . . . 89.37 -59.81 3.74 Favored Glycine 0 C--N 1.381 3.047 0 N-CA-C 105.549 -3.021 . . . . 0.0 105.549 -166.096 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 92.4 m -155.02 -38.03 0.09 Allowed 'General case' 0 C--N 1.381 1.965 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 170.652 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -100.68 110.19 59.82 Favored Pre-proline 0 CA--C 1.588 2.405 0 C-N-CA 124.425 1.09 . . . . 0.0 109.367 -172.626 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.512 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 61.2 Cg_endo -84.83 7.74 5.01 Favored 'Trans proline' 0 CA--C 1.595 3.552 0 N-CA-C 118.785 2.571 . . . . 0.0 118.785 179.726 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -78.74 -25.1 6.69 Favored 'Trans proline' 0 C--N 1.403 3.433 1 N-CA-C 124.681 4.839 . . . . 0.0 124.681 -175.409 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.7 p -97.0 139.03 33.63 Favored 'General case' 0 C--N 1.394 2.514 0 CA-C-N 124.893 3.497 . . . . 0.0 113.032 -175.424 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 72.4 p -125.33 146.33 49.62 Favored 'General case' 0 C--N 1.38 1.912 0 CA-C-N 113.612 -1.631 . . . . 0.0 109.837 -179.051 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -87.91 98.89 11.74 Favored 'General case' 0 C--N 1.386 2.177 0 N-CA-C 105.449 -2.056 . . . . 0.0 105.449 -176.689 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.6 m -78.6 101.95 7.7 Favored 'General case' 0 C--N 1.392 2.425 0 N-CA-C 101.657 -3.46 . . . . 0.0 101.657 172.739 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 12.2 t -127.02 150.02 49.63 Favored 'General case' 0 C--N 1.392 2.421 0 CA-C-O 123.887 1.803 . . . . 0.0 114.505 -166.056 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -89.34 -15.12 34.13 Favored 'General case' 0 C--N 1.38 1.928 0 CA-C-N 111.898 -2.41 . . . . 0.0 111.99 -179.547 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -70.31 114.78 8.78 Favored 'General case' 0 C--N 1.393 2.457 0 N-CA-C 103.757 -2.682 . . . . 0.0 103.757 175.034 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.465 ' OD2' ' N ' ' A' ' 1' ' ' ARG 2.188 50.0 m-20 -58.83 -6.37 0.76 Allowed 'General case' 0 C--N 1.386 2.176 0 C-N-CA 129.366 3.066 . . . . 0.0 116.251 -174.26 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.6 t -135.37 145.25 47.17 Favored 'General case' 0 C--N 1.378 1.807 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 176.295 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.5 p -132.04 160.03 37.09 Favored 'General case' 0 C--N 1.382 2.018 0 CA-C-O 122.282 1.039 . . . . 0.0 111.755 176.633 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.435 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 25.4 p90 -124.89 140.4 52.96 Favored 'General case' 0 C--N 1.376 1.736 0 CA-C-N 114.183 -1.371 . . . . 0.0 112.01 -167.694 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.515 ' NZ ' ' O ' ' A' ' 58' ' ' ASN . 8.1 mtmt -103.13 112.63 25.58 Favored 'General case' 0 C--N 1.388 2.246 0 N-CA-C 104.6 -2.37 . . . . 0.0 104.6 -177.639 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.447 ' H ' ' HB3' ' A' ' 35' ' ' ARG . 7.0 t30 -114.31 114.69 26.27 Favored 'General case' 0 CA--C 1.576 1.96 0 N-CA-C 102.899 -3.0 . . . . 0.0 102.899 -175.881 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -122.32 -2.84 7.67 Favored 'Isoleucine or valine' 0 C--N 1.393 2.463 0 N-CA-C 116.01 1.856 . . . . 0.0 116.01 -154.685 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.509 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -100.88 -94.59 0.28 Allowed 'General case' 0 CA--C 1.578 2.033 1 C-N-CA 133.812 4.845 . . . . 0.0 104.13 -176.461 . . . . . . . . 4 4 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.255 14.5 t 74.72 -17.61 0.47 Allowed 'General case' 0 C--N 1.39 2.337 0 C-N-CA 125.818 1.647 . . . . 0.0 112.127 178.006 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . 0.318 97.6 m-85 88.88 -37.32 0.02 OUTLIER 'General case' 0 C--N 1.39 2.345 0 C-N-CA 127.941 2.496 . . . . 0.0 110.846 -178.234 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -73.47 -7.1 50.35 Favored 'General case' 0 CA--C 1.58 2.13 0 CA-C-N 119.491 1.041 . . . . 0.0 110.993 172.443 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.8 t30 75.13 78.32 0.11 Allowed 'General case' 0 C--N 1.394 2.537 0 C-N-CA 127.747 2.419 . . . . 0.0 106.32 177.791 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.575 HG12 ' H ' ' A' ' 8' ' ' GLY . 6.8 tp -164.49 159.35 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.395 2.551 0 C-N-CA 117.658 -1.617 . . . . 0.0 114.037 -177.257 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 83.6 mt -94.13 90.63 2.87 Favored 'Isoleucine or valine' 0 C--N 1.387 2.206 0 N-CA-C 103.802 -2.666 . . . . 0.0 103.802 170.416 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.1 103.14 6.11 Favored 'General case' 0 C--N 1.387 2.219 0 N-CA-C 101.423 -3.547 . . . . 0.0 101.423 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.447 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -141.61 -167.34 2.4 Favored 'General case' 0 C--N 1.387 2.204 0 CA-C-N 114.225 -1.352 . . . . 0.0 114.483 -160.353 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -175.32 -167.13 34.03 Favored Glycine 0 C--N 1.389 3.494 0 C-N-CA 114.64 -3.648 . . . . 0.0 116.261 -174.466 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.5 p -102.07 127.92 48.76 Favored 'General case' 0 C--N 1.382 2.011 0 CA-C-O 122.795 1.283 . . . . 0.0 112.736 -175.054 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.05 -89.51 0.07 OUTLIER Glycine 0 C--N 1.394 3.796 0 N-CA-C 106.102 -2.799 . . . . 0.0 106.102 174.009 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.33 42.0 t 80.28 -44.61 0.26 Allowed 'General case' 0 C--N 1.388 2.254 0 C-N-CA 124.033 0.933 . . . . 0.0 111.402 179.877 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 C--N 1.385 2.125 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -167.874 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 2.089 0 N-CA-C 103.761 -3.735 . . . . 0.0 103.761 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.435 ' HB2' ' HB2' ' A' ' 23' ' ' TYR 0.33 2.6 Cg_exo 43.75 -159.27 0.0 OUTLIER 'Trans proline' 1 C--N 1.443 5.524 0 O-C-N 123.973 1.512 . . . . 0.0 110.825 -165.93 . . . . . . . . 4 3 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -125.25 140.09 53.15 Favored 'General case' 0 CA--C 1.569 1.692 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 175.481 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.2 m -118.78 159.53 23.53 Favored 'General case' 0 C--N 1.395 2.555 0 N-CA-C 117.988 2.588 . . . . 0.0 117.988 -159.356 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.7 t -136.71 159.24 42.42 Favored 'General case' 0 C--N 1.38 1.912 0 CA-C-N 112.491 -2.141 . . . . 0.0 111.042 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -122.88 59.86 1.05 Allowed 'General case' 0 C--N 1.382 2.017 0 N-CA-C 105.704 -1.961 . . . . 0.0 105.704 171.813 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.6 m -162.11 170.08 19.78 Favored 'General case' 0 C--N 1.39 2.338 0 CA-C-O 122.016 0.912 . . . . 0.0 112.396 -175.459 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.488 ' OD1' ' NZ ' ' A' ' 56' ' ' LYS . 24.5 t0 -80.02 126.94 31.69 Favored 'General case' 0 C--N 1.385 2.122 0 CA-C-N 114.477 -1.238 . . . . 0.0 108.199 -177.544 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.488 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 35.8 mmtm 76.66 -67.98 0.2 Allowed 'General case' 0 C--N 1.391 2.411 0 C-N-CA 125.852 1.661 . . . . 0.0 109.809 176.007 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 80.9 m 73.67 54.67 0.11 Allowed 'General case' 0 C--N 1.383 2.048 0 C-N-CA 126.056 1.742 . . . . 0.0 109.123 179.102 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.515 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 23.9 t-20 63.68 71.14 0.5 Allowed 'General case' 0 C--N 1.389 2.293 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 175.731 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.0 tp . . . . . 0 CA--C 1.584 2.262 0 N-CA-C 104.761 -2.311 . . . . 0.0 104.761 -177.669 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.412 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.2 OUTLIER . . . . . 1 N--CA 1.546 4.348 0 N-CA-C 111.478 0.177 . . . . 0.0 111.478 . . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.1 mt -75.19 127.54 36.8 Favored 'Isoleucine or valine' 0 C--N 1.403 2.904 0 CA-C-O 122.536 1.16 . . . . 0.0 109.101 -174.026 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.3 m -136.66 174.16 10.92 Favored 'General case' 0 C--N 1.387 2.214 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.823 169.127 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -106.22 159.08 16.38 Favored 'General case' 0 C--N 1.38 1.895 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -175.881 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -153.89 57.53 0.73 Allowed 'General case' 0 C--N 1.387 2.227 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 176.188 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.211 20.9 m170 -98.31 -168.14 1.61 Allowed 'General case' 0 C--N 1.388 2.259 0 C-N-CA 125.849 1.66 . . . . 0.0 114.317 -179.362 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.9 mt 64.7 -172.42 0.18 Allowed 'General case' 0 C--N 1.383 2.063 0 C-N-CA 125.078 1.351 . . . . 0.0 114.579 176.888 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 64.9 46.29 89.89 Favored Glycine 0 C--N 1.386 3.354 0 CA-C-O 116.897 -2.057 . . . . 0.0 111.629 -179.682 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 45.9 m 109.75 -37.7 0.01 OUTLIER 'General case' 0 C--N 1.394 2.527 0 C-N-CA 129.963 3.305 . . . . 0.0 110.896 176.634 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.37 128.27 24.06 Favored Pre-proline 0 CA--C 1.588 2.432 0 C-N-CA 124.936 1.294 . . . . 0.0 109.897 -174.379 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -99.08 -3.63 0.79 Allowed 'Trans proline' 0 C--N 1.413 3.944 0 N-CA-C 122.021 3.816 . . . . 0.0 122.021 176.769 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -80.25 -14.92 11.71 Favored 'Trans proline' 0 C--N 1.396 3.071 1 N-CA-C 125.634 5.205 . . . . 0.0 125.634 -172.491 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.1 p -90.68 126.19 35.9 Favored 'General case' 0 C--N 1.386 2.158 0 CA-C-N 123.698 2.954 . . . . 0.0 114.668 -173.694 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 65.8 p -134.19 144.34 48.42 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 131.31 3.844 . . . . 0.0 104.53 171.008 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -158.69 135.89 9.91 Favored 'General case' 0 C--N 1.387 2.226 0 C-N-CA 115.28 -2.568 . . . . 0.0 114.307 -168.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.7 m -67.27 112.46 4.54 Favored 'General case' 0 C--N 1.395 2.551 0 N-CA-C 104.102 -2.555 . . . . 0.0 104.102 172.408 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 t -115.57 143.24 45.62 Favored 'General case' 0 C--N 1.392 2.422 0 CA-C-O 123.022 1.392 . . . . 0.0 109.762 -172.557 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -80.72 -28.3 36.65 Favored 'General case' 0 C--N 1.386 2.19 0 CA-C-N 114.379 -1.282 . . . . 0.0 112.725 -173.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -58.57 136.78 57.68 Favored 'General case' 0 C--N 1.394 2.527 0 CA-C-N 121.1 1.773 . . . . 0.0 106.957 175.927 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.18 65.5 m-20 -72.7 8.41 1.49 Allowed 'General case' 0 C--N 1.385 2.151 0 C-N-CA 129.015 2.926 . . . . 0.0 115.362 -176.834 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.3 m -161.7 151.24 16.39 Favored 'General case' 0 C--N 1.376 1.738 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 -178.316 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.4 p -149.21 153.1 37.12 Favored 'General case' 0 C--N 1.385 2.11 0 C-N-CA 117.192 -1.803 . . . . 0.0 112.894 -179.456 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -122.11 157.25 31.88 Favored 'General case' 0 C--N 1.38 1.902 0 CA-C-N 112.483 -2.144 . . . . 0.0 114.288 -162.511 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.552 ' HZ2' ' C ' ' A' ' 59' ' ' LEU . 56.3 mmtt -106.21 111.23 23.74 Favored 'General case' 0 C--N 1.38 1.903 0 N-CA-C 105.502 -2.036 . . . . 0.0 105.502 -171.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.49 ' HA ' ' HE1' ' A' ' 27' ' ' TRP . 0.2 OUTLIER -114.44 101.82 9.5 Favored 'General case' 0 C--N 1.379 1.848 1 N-CA-C 99.942 -4.096 . . . . 0.0 99.942 -175.772 . . . . . . . . 4 4 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.79 45.72 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.386 2.173 0 CA-C-O 123.698 1.713 . . . . 0.0 109.922 -165.269 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.49 ' HE1' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -173.22 -93.21 0.01 OUTLIER 'General case' 0 CA--C 1.585 2.29 0 CA-C-N 112.579 -2.101 . . . . 0.0 105.618 -164.399 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.3 12.1 t 83.26 -103.87 0.01 OUTLIER 'General case' 0 CA--C 1.592 2.564 0 N-CA-C 106.162 -1.792 . . . . 0.0 106.162 175.334 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -146.25 -24.31 0.44 Allowed 'General case' 0 C--N 1.387 2.238 0 O-C-N 121.076 -1.015 . . . . 0.0 108.424 173.761 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -87.34 -10.52 51.98 Favored 'General case' 0 C--N 1.382 2.011 0 C-N-CA 129.137 2.975 . . . . 0.0 113.227 177.335 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 74.29 64.39 0.08 Allowed 'General case' 0 C--N 1.391 2.375 0 N-CA-C 105.575 -2.009 . . . . 0.0 105.575 -179.846 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 tp -149.54 161.18 4.84 Favored 'Isoleucine or valine' 0 C--N 1.393 2.498 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -170.873 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -96.35 110.35 24.49 Favored 'Isoleucine or valine' 0 C--N 1.391 2.376 0 N-CA-C 104.75 -2.315 . . . . 0.0 104.75 175.058 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.51 90.01 0.92 Allowed 'General case' 0 C--N 1.389 2.288 0 N-CA-C 102.999 -2.963 . . . . 0.0 102.999 -175.407 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.408 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -122.31 -171.55 2.28 Favored 'General case' 0 C--N 1.376 1.758 0 CA-C-N 111.866 -2.424 . . . . 0.0 115.061 -159.983 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -174.5 -179.26 44.99 Favored Glycine 0 C--N 1.398 3.993 1 C-N-CA 112.824 -4.512 . . . . 0.0 120.099 -170.544 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.3 m -81.6 115.29 20.81 Favored 'General case' 0 C--N 1.386 2.18 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 -178.734 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -162.69 -97.51 0.12 Allowed Glycine 0 C--N 1.39 3.543 0 N-CA-C 105.113 -3.195 . . . . 0.0 105.113 178.573 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.359 9.7 t 84.27 -40.97 0.07 Allowed 'General case' 0 C--N 1.386 2.173 0 CA-C-O 121.586 0.708 . . . . 0.0 112.156 177.66 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 . . . . . 0 CA--C 1.584 2.263 0 N-CA-C 105.648 -1.982 . . . . 0.0 105.648 -170.513 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 2.177 0 CA-C-O 121.798 0.666 . . . . 0.0 114.281 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -50.52 159.6 2.06 Favored 'Trans proline' 0 C--N 1.387 2.604 0 C-N-CA 122.936 2.424 . . . . 0.0 113.882 168.559 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.402 ' CE1' ' HG3' ' A' ' 24' ' ' LYS . 23.0 p90 -87.78 151.05 23.18 Favored 'General case' 0 C--N 1.382 1.981 0 CA-C-N 114.582 -1.19 . . . . 0.0 109.319 178.157 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.5 p -155.83 168.09 28.32 Favored 'General case' 0 C--N 1.403 2.917 0 N-CA-C 120.28 3.437 . . . . 0.0 120.28 -165.672 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 16.1 t -141.59 -174.89 4.18 Favored 'General case' 0 C--N 1.385 2.125 0 CA-C-N 112.075 -2.329 . . . . 0.0 113.29 -173.19 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -144.68 27.98 1.32 Allowed 'General case' 0 C--N 1.387 2.23 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -178.469 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.3 t -109.88 174.67 5.76 Favored 'General case' 0 C--N 1.378 1.84 0 C-N-CA 123.882 0.873 . . . . 0.0 112.382 -179.162 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.478 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 27.0 t70 -66.87 115.14 6.3 Favored 'General case' 0 C--N 1.391 2.409 0 N-CA-C 104.992 -2.225 . . . . 0.0 104.992 174.659 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.478 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 36.4 mmtm 72.14 -59.64 0.55 Allowed 'General case' 0 C--N 1.392 2.431 0 C-N-CA 127.176 2.19 . . . . 0.0 110.474 -178.523 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 23.8 t 70.18 50.35 0.43 Allowed 'General case' 0 C--N 1.382 1.98 0 C-N-CA 128.528 2.731 . . . . 0.0 107.125 -177.089 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 20.3 t30 62.47 87.25 0.1 Allowed 'General case' 0 C--N 1.389 2.292 0 C-N-CA 126.52 1.928 . . . . 0.0 106.243 -177.597 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.552 ' C ' ' HZ2' ' A' ' 24' ' ' LYS . 2.2 tt . . . . . 0 CA--C 1.589 2.46 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 176.154 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.2 tpp85 . . . . . 0 N--CA 1.539 3.976 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.471 HG12 ' HA ' ' A' ' 16' ' ' THR . 30.4 mt -97.34 121.32 47.74 Favored 'Isoleucine or valine' 0 C--N 1.394 2.519 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 -175.127 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.5 m -137.05 151.02 48.45 Favored 'General case' 0 C--N 1.388 2.275 0 CA-C-O 122.819 1.295 . . . . 0.0 108.611 171.749 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -67.35 152.95 44.8 Favored 'General case' 0 C--N 1.382 2.007 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.999 -171.775 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -130.26 32.92 4.4 Favored 'General case' 0 C--N 1.387 2.223 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 169.934 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.194 21.3 m170 -77.83 -178.0 5.2 Favored 'General case' 0 C--N 1.389 2.321 0 C-N-CA 127.196 2.199 . . . . 0.0 115.086 -170.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.52 ' H ' ' HA ' ' A' ' 11' ' ' PRO . 30.7 mt 72.11 -170.11 0.14 Allowed 'General case' 0 C--N 1.382 1.992 0 C-N-CA 126.069 1.747 . . . . 0.0 114.084 173.462 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.96 53.13 47.68 Favored Glycine 0 C--N 1.382 3.136 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 -179.039 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.1 m 107.21 -36.65 0.01 OUTLIER 'General case' 0 C--N 1.392 2.438 0 C-N-CA 130.482 3.513 . . . . 0.0 110.188 176.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.6 mmtt -130.93 107.43 15.23 Favored Pre-proline 0 C--N 1.385 2.13 0 CA-C-N 118.368 0.531 . . . . 0.0 109.648 -173.86 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.52 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 88.8 Cg_exo -82.11 2.56 8.45 Favored 'Trans proline' 0 CA--C 1.594 3.49 1 N-CA-C 124.205 4.656 . . . . 0.0 124.205 179.85 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -101.29 -23.58 0.05 OUTLIER 'Trans proline' 0 C--N 1.399 3.219 1 N-CA-C 123.321 4.316 . . . . 0.0 123.321 -172.46 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.3 p -78.93 156.38 28.59 Favored 'General case' 0 C--N 1.393 2.477 0 CA-C-N 123.167 2.712 . . . . 0.0 115.825 -172.624 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.3 p -138.02 149.59 46.2 Favored 'General case' 0 C--N 1.378 1.811 0 CA-C-N 112.271 -2.24 . . . . 0.0 108.821 -179.825 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -111.2 111.31 22.3 Favored 'General case' 0 C--N 1.384 2.106 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -171.875 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.471 ' HA ' HG12 ' A' ' 2' ' ' ILE . 98.6 m -81.95 98.98 8.83 Favored 'General case' 0 C--N 1.391 2.404 0 N-CA-C 102.867 -3.012 . . . . 0.0 102.867 172.21 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.3 t -118.55 159.88 22.77 Favored 'General case' 0 C--N 1.387 2.218 0 CA-C-O 123.682 1.706 . . . . 0.0 112.55 -171.503 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -80.08 1.57 27.36 Favored 'General case' 0 C--N 1.377 1.802 0 CA-C-N 112.653 -2.067 . . . . 0.0 112.249 -174.346 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -89.96 126.45 35.74 Favored 'General case' 0 C--N 1.388 2.275 0 CA-C-N 120.689 1.586 . . . . 0.0 107.781 -177.522 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.088 6.5 m-20 -53.03 -14.99 0.68 Allowed 'General case' 0 CA--C 1.587 2.372 0 C-N-CA 129.943 3.297 . . . . 0.0 113.955 179.596 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.0 p -156.06 163.93 39.06 Favored 'General case' 0 C--N 1.381 1.935 0 C-N-CA 125.253 1.421 . . . . 0.0 108.714 -177.702 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.9 p -140.06 172.2 13.1 Favored 'General case' 0 C--N 1.387 2.202 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 -177.843 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.431 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 20.9 p90 -128.69 152.08 48.8 Favored 'General case' 0 C--N 1.381 1.966 0 CA-C-O 124.697 2.189 . . . . 0.0 114.235 -171.909 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.551 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 47.8 mmtt -107.49 112.16 24.79 Favored 'General case' 0 C--N 1.38 1.896 0 CA-C-N 110.832 -2.895 . . . . 0.0 104.38 -179.18 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.543 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 2.3 t30 -114.13 121.38 43.61 Favored 'General case' 0 CA--C 1.579 2.069 0 N-CA-C 102.586 -3.116 . . . . 0.0 102.586 -178.412 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -128.08 -3.72 3.81 Favored 'Isoleucine or valine' 0 C--N 1.401 2.822 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 -151.194 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.543 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -100.12 -102.07 0.24 Allowed 'General case' 0 CA--C 1.582 2.176 1 C-N-CA 132.729 4.412 . . . . 0.0 106.18 -173.765 . . . . . . . . 4 4 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.314 14.9 t 88.14 -51.46 0.04 OUTLIER 'General case' 0 C--N 1.392 2.434 0 C-N-CA 126.881 2.072 . . . . 0.0 110.843 177.594 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 55.8 t80 126.82 -60.56 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.398 0 C-N-CA 127.939 2.495 . . . . 0.0 104.296 -179.349 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -53.95 112.14 0.89 Allowed 'General case' 0 C--N 1.396 2.604 0 N-CA-C 101.468 -3.53 . . . . 0.0 101.468 153.189 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -73.16 107.06 5.29 Favored 'General case' 0 C--N 1.4 2.798 0 N-CA-C 105.6 -2.0 . . . . 0.0 105.6 -169.643 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 tp -164.98 162.74 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.399 2.752 0 C-N-CA 118.01 -1.476 . . . . 0.0 113.402 -168.388 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 26.1 mm -99.9 100.67 10.88 Favored 'Isoleucine or valine' 0 C--N 1.388 2.26 0 N-CA-C 106.121 -1.807 . . . . 0.0 106.121 178.208 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.01 123.75 21.17 Favored 'General case' 0 C--N 1.383 2.048 0 N-CA-C 103.187 -2.894 . . . . 0.0 103.187 -179.681 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.519 HH11 ' HG2' ' A' ' 35' ' ' ARG . 3.8 ptt-85 -166.01 -168.13 1.2 Allowed 'General case' 0 C--N 1.391 2.379 0 C-N-CA 118.06 -1.456 . . . . 0.0 112.312 -151.54 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 175.19 -169.32 42.16 Favored Glycine 0 C--N 1.393 3.717 0 C-N-CA 113.987 -3.959 . . . . 0.0 117.557 -175.29 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.1 p -80.21 124.69 29.02 Favored 'General case' 0 C--N 1.385 2.12 0 CA-C-N 113.899 -1.15 . . . . 0.0 111.465 -175.943 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.58 -91.81 0.08 OUTLIER Glycine 0 C--N 1.398 3.99 0 C-N-CA 117.302 -2.38 . . . . 0.0 107.822 175.942 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.318 35.9 t 83.6 -59.28 0.13 Allowed 'General case' 0 C--N 1.384 2.1 0 CA-C-O 122.259 1.028 . . . . 0.0 109.089 -175.917 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.383 2.047 0 N-CA-C 104.721 -2.325 . . . . 0.0 104.721 -172.678 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 1.979 0 N-CA-C 110.487 -1.045 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.431 ' HB2' ' HB2' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -57.99 158.32 21.72 Favored 'Trans proline' 0 C--N 1.382 2.309 0 CA-C-O 122.651 1.021 . . . . 0.0 113.974 176.154 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . 0.255 0.5 OUTLIER -82.92 144.68 29.87 Favored 'General case' 0 C--N 1.385 2.141 0 CA-C-N 114.059 -1.428 . . . . 0.0 110.159 -178.312 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.429 ' SG ' ' N ' ' A' ' 52' ' ' CYS . 36.1 t -118.97 155.99 30.37 Favored 'General case' 0 C--N 1.395 2.581 0 N-CA-C 118.864 2.912 . . . . 0.0 118.864 -164.499 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.429 ' N ' ' SG ' ' A' ' 51' ' ' CYS . 5.2 t -142.06 160.46 40.18 Favored 'General case' 0 C--N 1.388 2.266 0 C-N-CA 127.904 2.482 . . . . 0.0 111.115 177.162 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -125.1 62.75 1.16 Allowed 'General case' 0 C--N 1.391 2.395 0 CA-C-N 119.371 0.987 . . . . 0.0 109.074 -179.659 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.17 167.73 28.32 Favored 'General case' 0 C--N 1.385 2.152 0 C-N-CA 118.413 -1.315 . . . . 0.0 111.5 177.935 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.495 ' OD1' ' NZ ' ' A' ' 56' ' ' LYS . 39.6 t0 -68.04 118.85 11.76 Favored 'General case' 0 C--N 1.385 2.137 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 174.605 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.495 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 0.0 OUTLIER 71.59 -54.8 0.67 Allowed 'General case' 0 C--N 1.398 2.705 0 C-N-CA 127.336 2.254 . . . . 0.0 113.956 -177.772 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 92.5 m 56.43 59.37 3.66 Favored 'General case' 0 CA--C 1.581 2.137 0 N-CA-C 104.552 -2.388 . . . . 0.0 104.552 -163.213 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 74.7 -64.78 0.37 Allowed 'General case' 0 C--N 1.39 2.358 0 C-N-CA 131.267 3.827 . . . . 0.0 112.326 174.583 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.551 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 25.7 tp . . . . . 0 CA--C 1.58 2.118 0 N-CA-C 101.998 -3.334 . . . . 0.0 101.998 -171.095 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.0 tpp85 . . . . . 0 N--CA 1.535 3.802 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.6 mp -102.49 128.71 54.97 Favored 'Isoleucine or valine' 0 C--N 1.39 2.328 0 CA-C-O 123.183 1.468 . . . . 0.0 109.77 -174.948 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.0 p -152.44 153.47 33.6 Favored 'General case' 0 C--N 1.383 2.028 0 CA-C-N 114.826 -1.079 . . . . 0.0 108.948 175.63 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -77.62 176.09 9.28 Favored 'General case' 0 C--N 1.39 2.359 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 -165.141 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -152.99 52.17 0.75 Allowed 'General case' 0 C--N 1.386 2.182 0 N-CA-C 103.097 -2.927 . . . . 0.0 103.097 168.738 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.191 8.4 m170 -104.05 -147.59 0.39 Allowed 'General case' 0 C--N 1.389 2.285 0 C-N-CA 126.656 1.982 . . . . 0.0 110.489 -175.327 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.358 5.6 mp 62.73 -170.8 0.17 Allowed 'General case' 0 C--N 1.387 2.212 0 CA-C-O 123.008 1.385 . . . . 0.0 112.762 173.45 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.3 -80.62 1.81 Allowed Glycine 0 C--N 1.383 3.184 0 N-CA-C 105.11 -3.196 . . . . 0.0 105.11 -167.738 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 87.0 m -140.98 -32.95 0.54 Allowed 'General case' 0 C--N 1.378 1.842 0 CA-C-N 114.24 -0.98 . . . . 0.0 111.108 -179.569 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -107.77 115.81 58.38 Favored Pre-proline 0 CA--C 1.58 2.107 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 -175.273 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -87.51 -16.58 3.06 Favored 'Trans proline' 0 C--N 1.404 3.466 0 N-CA-C 122.0 3.808 . . . . 0.0 122.0 -175.927 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -77.24 -21.01 12.25 Favored 'Trans proline' 0 C--N 1.395 2.994 1 N-CA-C 125.83 5.281 . . . . 0.0 125.83 -171.839 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.5 p -77.84 141.09 39.37 Favored 'General case' 0 C--N 1.394 2.53 0 CA-C-N 125.054 3.57 . . . . 0.0 113.209 -174.338 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.3 p -129.68 144.49 51.31 Favored 'General case' 0 C--N 1.381 1.959 0 CA-C-N 112.947 -1.933 . . . . 0.0 109.216 -176.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -109.74 106.01 15.48 Favored 'General case' 0 C--N 1.381 1.961 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 -174.736 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 67.7 m -87.57 107.29 18.52 Favored 'General case' 0 C--N 1.386 2.17 0 N-CA-C 102.777 -3.045 . . . . 0.0 102.777 177.512 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -119.26 145.82 45.76 Favored 'General case' 0 C--N 1.393 2.489 0 CA-C-O 122.987 1.375 . . . . 0.0 113.123 -168.714 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.2 mp0 -89.29 52.41 2.37 Favored 'General case' 0 C--N 1.386 2.155 0 CA-C-N 113.42 -1.718 . . . . 0.0 106.5 177.519 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -149.58 129.09 13.05 Favored 'General case' 0 C--N 1.379 1.872 0 N-CA-C 105.192 -2.151 . . . . 0.0 105.192 -179.854 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.129 45.8 m-20 -41.64 -47.94 4.0 Favored 'General case' 0 C--N 1.381 1.942 0 C-N-CA 126.679 1.992 . . . . 0.0 110.739 -179.132 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.5 m -124.78 164.97 18.85 Favored 'General case' 0 C--N 1.389 2.291 0 CA-C-O 124.89 2.281 . . . . 0.0 115.652 -169.009 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.4 p -148.53 166.95 26.68 Favored 'General case' 0 C--N 1.378 1.835 0 CA-C-N 111.35 -2.659 . . . . 0.0 113.317 174.431 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -113.69 146.93 39.08 Favored 'General case' 0 C--N 1.379 1.876 0 CA-C-N 114.391 -1.277 . . . . 0.0 111.267 -171.95 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.549 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 59.3 mttt -120.67 110.91 16.97 Favored 'General case' 0 C--N 1.388 2.251 0 N-CA-C 104.841 -2.281 . . . . 0.0 104.841 179.069 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.635 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 2.2 t30 -113.83 129.25 56.61 Favored 'General case' 0 CA--C 1.581 2.141 0 C-N-CA 126.4 1.88 . . . . 0.0 106.736 -164.095 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -123.39 -23.99 2.39 Favored 'Isoleucine or valine' 0 C--N 1.401 2.805 0 N-CA-C 117.192 2.293 . . . . 0.0 117.192 -155.641 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.635 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -65.37 -99.26 0.0 OUTLIER 'General case' 0 CA--C 1.589 2.455 1 C-N-CA 131.918 4.087 . . . . 0.0 106.334 175.681 . . . . . . . . 4 4 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.255 9.7 t 74.97 -11.12 1.11 Allowed 'General case' 0 C--N 1.39 2.343 0 CA-C-O 116.842 -1.551 . . . . 0.0 113.886 174.825 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . 0.313 91.4 t80 86.62 -37.88 0.04 OUTLIER 'General case' 0 C--N 1.393 2.468 0 CA-C-N 122.698 2.499 . . . . 0.0 108.96 -173.192 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -86.25 -6.46 58.97 Favored 'General case' 0 CA--C 1.578 2.049 0 CA-C-O 116.784 -1.579 . . . . 0.0 112.988 177.501 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.8 t30 64.55 73.3 0.43 Allowed 'General case' 0 C--N 1.396 2.623 0 CA-C-N 122.943 2.61 . . . . 0.0 105.187 177.271 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 tp -159.0 157.42 3.23 Favored 'Isoleucine or valine' 0 C--N 1.392 2.433 0 C-N-CA 119.388 -0.925 . . . . 0.0 112.224 -174.947 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.6 mm -96.42 94.36 4.08 Favored 'Isoleucine or valine' 0 C--N 1.39 2.328 0 N-CA-C 106.067 -1.827 . . . . 0.0 106.067 177.898 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.73 128.17 21.27 Favored 'General case' 0 C--N 1.382 1.985 0 N-CA-C 104.155 -2.535 . . . . 0.0 104.155 179.851 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.451 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -169.47 -165.97 0.56 Allowed 'General case' 0 C--N 1.399 2.758 0 C-N-CA 117.635 -1.626 . . . . 0.0 113.067 -148.458 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -179.77 -178.54 48.52 Favored Glycine 0 C--N 1.393 3.742 1 C-N-CA 113.596 -4.145 . . . . 0.0 119.209 -170.28 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 47.3 t -66.73 121.5 15.57 Favored 'General case' 0 C--N 1.391 2.371 0 CA-C-N 114.157 -1.021 . . . . 0.0 108.908 -176.916 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.45 -108.96 0.21 Allowed Glycine 1 C--N 1.402 4.225 0 C-N-CA 116.212 -2.899 . . . . 0.0 107.962 179.187 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.394 41.9 t 81.57 -163.35 0.02 OUTLIER 'General case' 0 C--N 1.387 2.237 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 176.932 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--N 1.385 2.112 0 CA-C-N 114.795 -1.093 . . . . 0.0 108.414 173.562 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.574 3.723 0 N-CA-C 109.408 -1.477 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . 0.255 19.1 Cg_exo -58.93 -178.83 0.13 Allowed 'Trans proline' 0 C--N 1.384 2.415 1 C-N-CA 127.332 5.354 . . . . 0.0 115.565 172.991 . . . . . . . . 3 2 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -89.98 141.55 28.55 Favored 'General case' 0 C--N 1.388 2.26 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 173.452 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 34.0 m -115.76 147.49 40.88 Favored 'General case' 0 C--N 1.391 2.412 0 CA-C-O 123.503 1.621 . . . . 0.0 113.46 -172.799 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 23.0 t -110.03 146.14 35.83 Favored 'General case' 0 C--N 1.382 2.015 0 CA-C-N 113.068 -1.878 . . . . 0.0 107.94 169.683 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -130.73 26.3 5.01 Favored 'General case' 0 C--N 1.378 1.836 0 CA-C-O 122.669 1.223 . . . . 0.0 110.148 172.527 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.4 p -127.27 171.33 11.57 Favored 'General case' 0 C--N 1.379 1.865 0 C-N-CA 127.322 2.249 . . . . 0.0 109.718 177.642 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.473 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 30.8 t0 -72.99 129.77 38.84 Favored 'General case' 0 C--N 1.385 2.122 0 C-N-CA 117.621 -1.631 . . . . 0.0 108.278 178.182 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.473 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 40.3 mmtm 76.3 -69.21 0.17 Allowed 'General case' 0 C--N 1.391 2.408 0 C-N-CA 127.006 2.122 . . . . 0.0 113.849 172.3 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.254 58.8 m 61.18 63.84 1.18 Allowed 'General case' 0 CA--C 1.582 2.202 0 N-CA-C 105.155 -2.165 . . . . 0.0 105.155 -166.926 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.259 87.1 m-20 69.92 -57.88 0.54 Allowed 'General case' 0 C--N 1.39 2.331 0 C-N-CA 130.851 3.66 . . . . 0.0 112.334 175.882 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.549 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 2.5 mt . . . . . 0 CA--C 1.591 2.554 0 N-CA-C 104.813 -2.292 . . . . 0.0 104.813 -178.517 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.447 HH21 ' CG ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.537 3.906 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.0 mt -75.5 125.61 35.31 Favored 'Isoleucine or valine' 0 C--N 1.395 2.556 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 176.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.1 m -136.79 178.51 7.02 Favored 'General case' 0 C--N 1.383 2.052 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.883 169.491 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.426 ' CD2' HG22 ' A' ' 14' ' ' THR . 19.8 m-85 -112.16 172.01 7.16 Favored 'General case' 0 C--N 1.38 1.896 0 N-CA-C 115.386 1.624 . . . . 0.0 115.386 -165.712 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 48.9 p30 -156.43 34.39 0.32 Allowed 'General case' 0 C--N 1.39 2.356 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 169.095 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.174 14.9 m170 -75.08 -168.74 0.8 Allowed 'General case' 0 C--N 1.387 2.207 0 C-N-CA 125.514 1.526 . . . . 0.0 113.436 -176.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.311 20.5 mt 69.82 -168.4 0.17 Allowed 'General case' 0 C--N 1.385 2.114 0 CA-C-O 121.827 0.823 . . . . 0.0 112.689 174.348 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.484 ' H ' HG12 ' A' ' 32' ' ' ILE . . . 90.84 -66.2 2.56 Favored Glycine 0 C--N 1.383 3.182 0 N-CA-C 105.682 -2.967 . . . . 0.0 105.682 -166.712 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.9 m -151.07 -41.24 0.12 Allowed 'General case' 0 C--N 1.378 1.847 0 CA-C-N 113.198 -1.501 . . . . 0.0 108.096 175.154 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -103.37 128.32 27.77 Favored Pre-proline 0 CA--C 1.585 2.29 0 CA-C-O 118.934 -0.555 . . . . 0.0 112.268 -173.079 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -93.91 -2.26 3.03 Favored 'Trans proline' 0 C--N 1.411 3.839 1 N-CA-C 123.611 4.427 . . . . 0.0 123.611 -176.17 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -90.15 -18.17 1.43 Allowed 'Trans proline' 0 C--N 1.399 3.196 1 N-CA-C 124.151 4.635 . . . . 0.0 124.151 -172.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.6 p -86.08 142.6 28.58 Favored 'General case' 0 C--N 1.391 2.388 0 CA-C-N 123.189 2.722 . . . . 0.0 116.505 -170.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.426 HG22 ' CD2' ' A' ' 4' ' ' TYR . 64.9 p -140.12 148.53 41.81 Favored 'General case' 0 C--N 1.38 1.898 0 CA-C-N 110.783 -2.917 . . . . 0.0 108.189 -179.666 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -115.78 119.4 35.9 Favored 'General case' 0 C--N 1.379 1.868 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 -174.72 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 53.6 m -75.25 107.08 7.12 Favored 'General case' 0 C--N 1.393 2.487 0 N-CA-C 101.93 -3.359 . . . . 0.0 101.93 169.457 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.6 t -113.96 146.97 39.36 Favored 'General case' 0 C--N 1.394 2.529 0 CA-C-O 123.249 1.5 . . . . 0.0 111.317 -170.111 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -89.93 -18.94 25.16 Favored 'General case' 0 C--N 1.383 2.043 0 CA-C-N 113.436 -1.711 . . . . 0.0 113.085 -174.27 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -76.32 128.71 35.42 Favored 'General case' 0 C--N 1.388 2.28 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 177.152 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.447 ' CG ' HH21 ' A' ' 1' ' ' ARG 2.163 46.9 m-20 -63.27 1.22 0.52 Allowed 'General case' 0 C--N 1.389 2.299 0 C-N-CA 127.913 2.485 . . . . 0.0 116.36 -172.589 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.9 m -144.11 152.07 40.44 Favored 'General case' 0 C--N 1.375 1.715 0 CA-C-O 122.779 1.276 . . . . 0.0 108.273 179.213 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.6 p -151.57 145.56 25.22 Favored 'General case' 0 C--N 1.379 1.887 0 CA-C-O 123.328 1.537 . . . . 0.0 109.38 -179.152 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.407 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 35.4 p90 -116.96 144.9 44.03 Favored 'General case' 0 C--N 1.38 1.933 0 CA-C-N 114.34 -1.3 . . . . 0.0 114.445 -161.406 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.455 ' NZ ' ' O ' ' A' ' 58' ' ' ASN . 25.5 mtpp -96.21 112.31 24.09 Favored 'General case' 0 C--N 1.387 2.234 0 N-CA-C 104.232 -2.507 . . . . 0.0 104.232 177.6 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.512 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 2.2 t30 -115.43 126.02 53.84 Favored 'General case' 0 CA--C 1.582 2.194 0 N-CA-C 102.682 -3.081 . . . . 0.0 102.682 -175.709 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.38 -19.48 3.42 Favored 'Isoleucine or valine' 0 C--N 1.393 2.471 0 N-CA-C 116.883 2.179 . . . . 0.0 116.883 -149.568 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.512 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -85.54 -99.03 0.07 Allowed 'General case' 0 CA--C 1.578 2.03 1 C-N-CA 133.974 4.91 . . . . 0.0 104.986 178.205 . . . . . . . . 4 4 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.5 t 75.2 155.25 0.16 Allowed 'General case' 0 C--N 1.39 2.343 0 CA-C-O 122.467 1.127 . . . . 0.0 110.841 178.282 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -54.77 -44.23 73.47 Favored 'General case' 0 C--N 1.388 2.272 0 O-C-N 121.625 -0.672 . . . . 0.0 110.976 179.543 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.53 4.36 13.54 Favored 'General case' 0 CA--C 1.581 2.143 0 C-N-CA 128.48 2.712 . . . . 0.0 113.477 -177.608 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 53.06 67.63 0.97 Allowed 'General case' 0 C--N 1.394 2.533 0 CA-C-N 122.082 2.219 . . . . 0.0 105.598 178.019 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.484 HG12 ' H ' ' A' ' 8' ' ' GLY . 8.5 tp -153.52 164.45 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.384 2.089 0 CA-C-N 114.673 -1.149 . . . . 0.0 111.682 -169.53 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.9 mp -92.31 98.09 7.97 Favored 'Isoleucine or valine' 0 C--N 1.384 2.093 0 N-CA-C 102.636 -3.098 . . . . 0.0 102.636 173.844 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.51 HH11 ' HG2' ' A' ' 34' ' ' ARG . 9.0 ttp85 -143.57 125.1 14.83 Favored 'General case' 0 C--N 1.386 2.192 0 N-CA-C 103.841 -2.652 . . . . 0.0 103.841 -177.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.425 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -152.0 -166.54 2.52 Favored 'General case' 0 C--N 1.388 2.258 0 C-N-CA 118.087 -1.445 . . . . 0.0 114.166 -157.949 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -170.51 -169.02 33.12 Favored Glycine 0 C--N 1.393 3.71 1 C-N-CA 113.213 -4.327 . . . . 0.0 119.029 -174.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.4 t -95.87 117.29 30.3 Favored 'General case' 0 C--N 1.384 2.09 0 CA-C-N 113.382 -1.409 . . . . 0.0 109.331 -174.516 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.37 -87.37 0.07 OUTLIER Glycine 0 C--N 1.395 3.82 0 C-N-CA 116.973 -2.537 . . . . 0.0 106.783 173.951 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.351 28.4 t 78.53 -164.38 0.03 OUTLIER 'General case' 0 C--N 1.387 2.201 0 CA-C-N 114.57 -0.815 . . . . 0.0 112.216 -176.903 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 . . . . . 0 CA--C 1.586 2.345 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 164.293 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.565 3.177 0 N-CA-C 112.673 -0.171 . . . . 0.0 112.673 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -50.7 151.92 10.13 Favored 'Trans proline' 0 C--N 1.393 2.888 0 CA-C-O 124.094 1.623 . . . . 0.0 108.591 169.817 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 26.7 p90 -77.93 149.87 34.11 Favored 'General case' 0 C--N 1.383 2.024 0 CA-C-N 113.454 -1.703 . . . . 0.0 110.679 -178.562 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.8 m -118.67 160.28 22.12 Favored 'General case' 0 C--N 1.391 2.392 0 N-CA-C 116.626 2.084 . . . . 0.0 116.626 -166.477 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.2 t -122.72 157.57 32.01 Favored 'General case' 0 C--N 1.38 1.925 0 CA-C-N 112.19 -2.277 . . . . 0.0 109.535 169.377 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -135.15 52.36 2.04 Favored 'General case' 0 C--N 1.383 2.046 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 170.887 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 t -143.58 174.14 11.04 Favored 'General case' 0 C--N 1.386 2.194 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.798 177.178 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.515 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 25.7 t70 -66.12 126.36 28.42 Favored 'General case' 0 C--N 1.387 2.197 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 179.16 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.515 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 36.8 mmtm 71.03 -87.93 0.03 OUTLIER 'General case' 0 C--N 1.388 2.26 0 C-N-CA 126.467 1.907 . . . . 0.0 110.098 176.123 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.293 5.1 m 82.53 50.42 0.02 OUTLIER 'General case' 0 C--N 1.385 2.146 0 C-N-CA 129.025 2.93 . . . . 0.0 109.162 -174.612 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.455 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 71.0 m-80 54.6 58.41 4.9 Favored 'General case' 0 C--N 1.39 2.337 0 C-N-CA 125.498 1.519 . . . . 0.0 109.01 174.442 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.8 tt . . . . . 0 CA--C 1.581 2.137 0 N-CA-C 102.649 -3.093 . . . . 0.0 102.649 -175.186 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.46 HH11 ' HG2' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 1 N--CA 1.541 4.093 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 . . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 78.2 mt -136.68 128.72 44.04 Favored 'Isoleucine or valine' 0 C--N 1.384 2.085 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 177.528 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.3 m -132.46 143.91 50.11 Favored 'General case' 0 C--N 1.39 2.329 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 172.796 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -82.57 160.21 22.6 Favored 'General case' 0 C--N 1.391 2.37 0 O-C-N 120.377 -1.452 . . . . 0.0 113.956 -167.419 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -138.33 -1.52 1.9 Allowed 'General case' 0 C--N 1.394 2.535 0 CA-C-O 118.228 -0.891 . . . . 0.0 112.24 -173.247 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.474 ' HB2' ' H ' ' A' ' 13' ' ' THR 2.217 15.6 m170 -68.38 -155.69 0.02 OUTLIER 'General case' 0 C--N 1.384 2.087 0 C-N-CA 125.783 1.633 . . . . 0.0 114.66 -170.277 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.489 ' H ' ' HA ' ' A' ' 11' ' ' PRO 0.281 60.9 mt 77.89 178.85 0.14 Allowed 'General case' 0 C--N 1.383 2.033 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 172.439 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 64.59 -127.05 33.67 Favored Glycine 0 CA--C 1.572 3.641 0 CA-C-O 123.155 1.42 . . . . 0.0 109.731 -170.711 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.1 m -69.79 -42.02 74.32 Favored 'General case' 0 C--N 1.385 2.121 0 O-C-N 121.878 -0.777 . . . . 0.0 111.142 -172.34 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -121.19 106.57 38.33 Favored Pre-proline 0 C--N 1.383 2.029 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 -173.453 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.489 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 81.0 Cg_exo -84.22 -9.51 9.43 Favored 'Trans proline' 0 C--N 1.4 3.265 0 N-CA-C 122.385 3.956 . . . . 0.0 122.385 -176.66 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -75.8 -12.39 19.98 Favored 'Trans proline' 0 C--N 1.394 2.924 1 N-CA-C 128.474 6.298 . . . . 0.0 128.474 -172.968 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.474 ' H ' ' HB2' ' A' ' 6' ' ' HIS . 31.1 p -111.12 160.11 17.2 Favored 'General case' 0 C--N 1.389 2.321 1 CA-C-N 126.443 4.202 . . . . 0.0 118.942 -171.993 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 67.1 p -132.56 148.44 52.37 Favored 'General case' 0 C--N 1.373 1.629 0 CA-C-N 110.337 -3.119 . . . . 0.0 107.886 179.911 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -115.94 113.55 23.43 Favored 'General case' 0 C--N 1.384 2.075 0 CA-C-O 123.185 1.469 . . . . 0.0 110.121 -171.766 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 m -69.12 124.55 24.08 Favored 'General case' 0 C--N 1.392 2.441 0 N-CA-C 105.037 -2.208 . . . . 0.0 105.037 167.144 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -119.81 131.82 55.42 Favored 'General case' 0 C--N 1.384 2.072 0 N-CA-C 106.008 -1.849 . . . . 0.0 106.008 174.642 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -141.29 56.8 1.53 Allowed 'General case' 0 C--N 1.376 1.733 0 N-CA-C 103.665 -2.717 . . . . 0.0 103.665 166.335 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -131.27 47.02 2.58 Favored 'General case' 0 C--N 1.383 2.051 0 N-CA-C 106.171 -1.789 . . . . 0.0 106.171 -179.406 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.346 0.9 OUTLIER 78.48 -44.8 0.39 Allowed 'General case' 0 C--N 1.385 2.134 0 C-N-CA 127.214 2.206 . . . . 0.0 114.819 173.367 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.0 m -148.39 162.55 39.33 Favored 'General case' 0 C--N 1.385 2.119 0 CA-C-O 123.795 1.759 . . . . 0.0 115.46 -170.213 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -142.77 178.76 7.43 Favored 'General case' 0 C--N 1.384 2.103 0 CA-C-N 112.955 -1.929 . . . . 0.0 112.412 174.397 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -152.81 156.63 39.43 Favored 'General case' 0 C--N 1.383 2.037 0 CA-C-O 123.546 1.641 . . . . 0.0 114.92 -170.021 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.32 135.06 50.25 Favored 'General case' 0 C--N 1.384 2.086 0 CA-C-N 112.119 -2.31 . . . . 0.0 107.076 173.388 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.611 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 2.4 t30 -133.57 119.04 18.96 Favored 'General case' 0 CA--C 1.573 1.843 0 N-CA-C 103.105 -2.924 . . . . 0.0 103.105 -177.278 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -136.37 -25.39 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.404 2.978 0 N-CA-C 118.798 2.888 . . . . 0.0 118.798 -151.496 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.611 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -63.83 -109.66 0.0 OUTLIER 'General case' 0 CA--C 1.591 2.547 1 C-N-CA 132.361 4.264 . . . . 0.0 108.146 172.262 . . . . . . . . 4 4 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.9 t 76.64 160.18 0.22 Allowed 'General case' 0 C--N 1.394 2.511 0 C-N-CA 125.744 1.618 . . . . 0.0 112.867 176.776 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -60.95 -46.27 91.39 Favored 'General case' 0 C--N 1.393 2.469 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 172.457 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -76.05 0.46 18.58 Favored 'General case' 0 CA--C 1.575 1.941 0 C-N-CA 126.899 2.079 . . . . 0.0 113.966 -176.711 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 54.49 67.46 1.01 Allowed 'General case' 0 C--N 1.396 2.607 0 CA-C-N 122.963 2.62 . . . . 0.0 107.498 173.155 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.0 tp -155.25 153.7 7.58 Favored 'Isoleucine or valine' 0 C--N 1.387 2.218 0 CA-C-O 121.811 0.815 . . . . 0.0 110.56 -174.819 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 30.1 mt -94.59 93.26 3.83 Favored 'Isoleucine or valine' 0 C--N 1.388 2.252 0 N-CA-C 105.343 -2.095 . . . . 0.0 105.343 179.499 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.422 HH11 ' HG2' ' A' ' 34' ' ' ARG . 1.8 ttp85 -130.88 111.74 12.36 Favored 'General case' 0 C--N 1.385 2.119 0 N-CA-C 103.179 -2.897 . . . . 0.0 103.179 -176.408 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.424 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -153.57 -162.42 1.45 Allowed 'General case' 0 C--N 1.383 2.041 0 CA-C-N 111.815 -2.448 . . . . 0.0 111.818 -154.32 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 178.42 -164.02 32.36 Favored Glycine 0 C--N 1.391 3.602 1 C-N-CA 113.569 -4.158 . . . . 0.0 119.046 -173.544 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.9 t -93.37 110.58 22.12 Favored 'General case' 0 C--N 1.38 1.893 0 CA-C-N 111.6 -2.3 . . . . 0.0 108.013 -178.418 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.11 -97.24 0.11 Allowed Glycine 1 C--N 1.4 4.121 0 C-N-CA 115.34 -3.314 . . . . 0.0 107.907 176.383 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.449 20.5 t 85.92 -155.96 0.01 OUTLIER 'General case' 0 C--N 1.38 1.897 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 179.226 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 . . . . . 0 C--N 1.386 2.162 0 N-CA-C 104.613 -2.366 . . . . 0.0 104.613 176.91 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 2.27 0 CA-C-O 120.706 0.059 . . . . 0.0 113.243 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -64.59 171.45 8.25 Favored 'Trans proline' 0 C--N 1.389 2.703 0 O-C-N 123.075 1.039 . . . . 0.0 111.301 172.883 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -97.85 128.53 44.53 Favored 'General case' 0 C--N 1.389 2.294 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 179.345 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.3 m -121.03 167.6 12.42 Favored 'General case' 0 C--N 1.392 2.436 0 N-CA-C 117.593 2.442 . . . . 0.0 117.593 -162.033 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.9 t -158.36 158.43 34.25 Favored 'General case' 0 C--N 1.387 2.196 0 CA-C-N 113.593 -1.639 . . . . 0.0 111.967 -174.722 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -120.72 49.56 1.44 Allowed 'General case' 0 C--N 1.384 2.094 0 CA-C-O 121.201 0.524 . . . . 0.0 110.482 -178.623 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 93.5 p -143.55 166.5 24.65 Favored 'General case' 0 C--N 1.385 2.125 0 C-N-CA 123.829 0.852 . . . . 0.0 110.574 177.441 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.458 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 29.5 t0 -73.86 119.8 18.57 Favored 'General case' 0 C--N 1.395 2.572 0 C-N-CA 119.645 -0.822 . . . . 0.0 109.121 -170.237 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.458 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.304 3.5 mppt? 68.37 -57.65 0.48 Allowed 'General case' 0 C--N 1.4 2.788 0 C-N-CA 127.489 2.315 . . . . 0.0 107.96 -169.395 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 37.9 t 81.16 -50.87 0.29 Allowed 'General case' 0 C--N 1.383 2.06 0 C-N-CA 129.098 2.959 . . . . 0.0 108.485 178.877 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -123.97 -93.05 0.51 Allowed 'General case' 0 C--N 1.386 2.189 0 N-CA-C 102.865 -3.013 . . . . 0.0 102.865 169.449 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 CA--C 1.581 2.139 0 N-CA-C 102.076 -3.305 . . . . 0.0 102.076 -175.532 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.534 3.758 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.4 mt -106.3 129.83 59.0 Favored 'Isoleucine or valine' 0 C--N 1.389 2.314 0 CA-C-O 121.935 0.874 . . . . 0.0 111.49 -170.732 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.5 m -141.01 162.17 36.11 Favored 'General case' 0 C--N 1.389 2.325 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 167.688 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -78.59 149.23 33.01 Favored 'General case' 0 C--N 1.388 2.275 0 O-C-N 121.144 -0.972 . . . . 0.0 112.424 -174.79 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -138.63 57.37 1.69 Allowed 'General case' 0 C--N 1.387 2.231 0 N-CA-C 104.4 -2.444 . . . . 0.0 104.4 177.074 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.164 3.4 m170 -108.2 -149.34 0.43 Allowed 'General case' 0 C--N 1.386 2.195 0 C-N-CA 128.18 2.592 . . . . 0.0 112.045 -174.903 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.373 4.7 mp 64.6 -163.43 0.26 Allowed 'General case' 0 C--N 1.389 2.301 0 CA-C-O 122.388 1.09 . . . . 0.0 111.758 172.203 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.52 -52.3 4.68 Favored Glycine 0 C--N 1.384 3.244 0 N-CA-C 108.837 -1.705 . . . . 0.0 108.837 -166.779 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.7 m -175.41 -43.07 0.01 OUTLIER 'General case' 0 C--N 1.384 2.098 0 C-N-CA 125.61 1.564 . . . . 0.0 107.147 -175.995 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -104.46 118.8 55.75 Favored Pre-proline 0 CA--C 1.591 2.526 0 C-N-CA 125.118 1.367 . . . . 0.0 110.657 -174.009 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -92.78 13.23 1.83 Allowed 'Trans proline' 0 C--N 1.41 3.793 0 N-CA-C 122.397 3.96 . . . . 0.0 122.397 -179.091 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -82.44 -19.24 6.57 Favored 'Trans proline' 0 C--N 1.405 3.516 1 N-CA-C 123.713 4.467 . . . . 0.0 123.713 -176.269 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.3 p -94.55 151.54 19.25 Favored 'General case' 0 C--N 1.392 2.419 0 CA-C-N 124.012 3.096 . . . . 0.0 116.46 -174.487 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 78.4 p -135.84 144.33 45.6 Favored 'General case' 0 C--N 1.382 2.016 0 CA-C-N 112.694 -2.048 . . . . 0.0 109.107 -176.904 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -99.88 88.75 3.86 Favored 'General case' 0 C--N 1.374 1.672 0 N-CA-C 105.39 -2.078 . . . . 0.0 105.39 -174.206 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.4 m -88.7 101.16 13.72 Favored 'General case' 0 C--N 1.389 2.317 0 N-CA-C 103.434 -2.802 . . . . 0.0 103.434 -179.75 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.6 t -131.65 160.79 34.36 Favored 'General case' 0 C--N 1.393 2.48 0 CA-C-O 123.303 1.525 . . . . 0.0 115.028 -163.292 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.63 -16.05 37.86 Favored 'General case' 0 C--N 1.378 1.832 0 CA-C-N 112.836 -1.984 . . . . 0.0 113.031 -178.27 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -74.36 127.72 33.73 Favored 'General case' 0 CA--C 1.585 2.294 0 N-CA-C 106.491 -1.67 . . . . 0.0 106.491 178.635 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.095 68.6 m-20 -47.45 -40.33 17.92 Favored 'General case' 0 C--N 1.388 2.253 0 C-N-CA 130.423 3.489 . . . . 0.0 114.735 -171.595 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.1 t -117.78 134.46 54.89 Favored 'General case' 0 C--N 1.378 1.826 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 -174.976 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.269 22.9 p -117.91 145.31 44.74 Favored 'General case' 0 C--N 1.383 2.029 0 CA-C-O 124.425 2.059 . . . . 0.0 109.468 173.541 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -112.01 157.58 20.57 Favored 'General case' 0 C--N 1.375 1.686 0 CA-C-N 113.007 -1.906 . . . . 0.0 112.077 -165.445 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.418 ' NZ ' ' O ' ' A' ' 57' ' ' CYS . 43.4 mttt -120.64 112.3 18.72 Favored 'General case' 0 C--N 1.378 1.832 0 CA-C-O 124.907 2.289 . . . . 0.0 104.967 -178.365 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -114.9 119.21 35.77 Favored 'General case' 0 CA--C 1.58 2.105 0 N-CA-C 102.986 -2.968 . . . . 0.0 102.986 -174.453 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.5 pp -135.24 28.04 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.395 2.562 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 -154.46 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.55 ' N ' ' CD1' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -146.07 -107.02 0.1 Allowed 'General case' 0 CA--C 1.574 1.894 0 C-N-CA 127.58 2.352 . . . . 0.0 104.993 -164.199 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.4 t 75.83 160.6 0.23 Allowed 'General case' 0 C--N 1.391 2.386 0 O-C-N 120.9 -1.125 . . . . 0.0 111.815 179.229 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -59.15 -38.65 80.21 Favored 'General case' 0 C--N 1.391 2.371 0 O-C-N 121.795 -0.565 . . . . 0.0 109.764 176.063 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -79.17 2.57 20.53 Favored 'General case' 0 CA--C 1.585 2.324 0 C-N-CA 128.629 2.772 . . . . 0.0 114.362 -178.8 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . 0.251 1.5 t30 50.23 78.69 0.1 Allowed 'General case' 0 C--N 1.391 2.398 0 C-N-CA 128.157 2.583 . . . . 0.0 108.228 175.91 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 tp -160.52 170.25 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.388 2.247 0 C-N-CA 120.225 -0.59 . . . . 0.0 111.494 -175.981 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 59.2 mt -104.61 116.66 48.84 Favored 'Isoleucine or valine' 0 C--N 1.387 2.229 0 N-CA-C 105.333 -2.099 . . . . 0.0 105.333 172.385 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.511 HH11 ' HG2' ' A' ' 34' ' ' ARG . 3.3 ttp85 -161.16 110.66 1.64 Allowed 'General case' 0 C--N 1.383 2.023 0 N-CA-C 101.58 -3.489 . . . . 0.0 101.58 -171.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.401 HH22 ' C ' ' A' ' 59' ' ' LEU . 31.9 ptt85 -143.78 -172.47 3.75 Favored 'General case' 0 C--N 1.384 2.086 0 CA-C-N 114.4 -1.273 . . . . 0.0 113.397 -157.326 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 177.43 -167.72 38.97 Favored Glycine 0 C--N 1.39 3.569 0 C-N-CA 114.453 -3.737 . . . . 0.0 116.49 -171.533 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.1 p -90.98 124.13 34.99 Favored 'General case' 0 C--N 1.387 2.226 0 CA-C-O 122.59 1.186 . . . . 0.0 109.895 -178.645 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.1 -104.74 0.18 Allowed Glycine 0 C--N 1.392 3.655 0 N-CA-C 105.595 -3.002 . . . . 0.0 105.595 177.811 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.322 43.0 t 84.0 -49.55 0.12 Allowed 'General case' 0 C--N 1.39 2.345 0 O-C-N 121.768 -0.842 . . . . 0.0 111.132 177.002 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 . . . . . 0 C--N 1.384 2.095 0 N-CA-C 103.028 -2.953 . . . . 0.0 103.028 -172.558 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.4 ' HA2' ' HD2' ' A' ' 49' ' ' PRO . . . . . . . . 0 CA--C 1.56 2.883 0 N-CA-C 107.393 -2.283 . . . . 0.0 107.393 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.4 ' HD2' ' HA2' ' A' ' 48' ' ' GLY . 98.4 Cg_endo -58.35 163.08 10.87 Favored 'Trans proline' 0 C--N 1.388 2.647 0 C-N-CA 121.826 1.684 . . . . 0.0 110.135 172.051 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -75.22 148.01 39.86 Favored 'General case' 0 C--N 1.394 2.509 0 C-N-CA 117.569 -1.652 . . . . 0.0 108.421 178.418 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 17.7 m -118.64 157.59 27.11 Favored 'General case' 0 C--N 1.391 2.412 0 N-CA-C 116.252 1.945 . . . . 0.0 116.252 -167.295 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.4 t -145.5 161.84 38.8 Favored 'General case' 0 C--N 1.386 2.156 0 CA-C-N 113.704 -1.589 . . . . 0.0 110.5 172.478 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -137.52 36.26 2.46 Favored 'General case' 0 C--N 1.382 2.011 0 O-C-N 121.087 -1.008 . . . . 0.0 110.74 -179.213 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.4 t -123.05 157.1 33.5 Favored 'General case' 0 C--N 1.379 1.858 0 C-N-CA 126.515 1.926 . . . . 0.0 109.806 179.901 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.532 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 41.7 t0 -69.67 113.26 6.77 Favored 'General case' 0 C--N 1.389 2.301 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 -175.818 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.532 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.301 4.5 mptt 74.12 -44.26 0.56 Allowed 'General case' 0 C--N 1.397 2.667 0 C-N-CA 126.223 1.809 . . . . 0.0 110.152 -176.506 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.418 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 40.8 t 67.95 62.63 0.4 Allowed 'General case' 0 C--N 1.38 1.905 0 N-CA-C 104.787 -2.301 . . . . 0.0 104.787 177.9 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.2 m120 84.72 -66.72 0.05 OUTLIER 'General case' 0 C--N 1.391 2.382 0 C-N-CA 127.276 2.23 . . . . 0.0 107.219 179.643 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.409 ' OXT' ' NZ ' ' A' ' 24' ' ' LYS . 1.3 pt? . . . . . 0 CA--C 1.579 2.077 0 N-CA-C 102.927 -2.99 . . . . 0.0 102.927 177.868 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.491 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 23.1 mmt-85 . . . . . 0 N--CA 1.539 3.999 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.5 mt -124.81 127.96 72.97 Favored 'Isoleucine or valine' 0 C--N 1.383 2.055 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 174.289 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.6 m -132.94 178.94 6.49 Favored 'General case' 0 C--N 1.386 2.176 0 CA-C-O 121.433 0.635 . . . . 0.0 110.07 169.148 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -96.38 164.64 12.55 Favored 'General case' 0 C--N 1.378 1.841 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -174.776 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 34.3 p-10 -145.31 16.28 1.5 Allowed 'General case' 0 C--N 1.387 2.228 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.982 175.848 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.214 22.7 m-70 -70.08 -173.05 0.61 Allowed 'General case' 0 C--N 1.389 2.304 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -170.252 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.264 44.5 mt 73.5 179.47 0.22 Allowed 'General case' 0 C--N 1.391 2.373 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 175.699 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.52 -44.21 3.15 Favored Glycine 0 C--N 1.392 3.663 0 N-CA-C 115.402 0.921 . . . . 0.0 115.402 -176.402 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.6 m -161.89 -46.9 0.04 OUTLIER 'General case' 0 C--N 1.374 1.661 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 -176.363 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -101.04 142.74 25.22 Favored Pre-proline 0 C--N 1.39 2.332 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -171.42 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -58.64 166.5 6.37 Favored 'Trans proline' 0 C--N 1.402 3.382 0 C-N-CA 123.026 2.484 . . . . 0.0 114.29 170.367 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_exo -30.64 129.19 0.07 OUTLIER 'Trans proline' 0 C--N 1.398 3.147 1 C-N-CA 125.756 4.304 . . . . 0.0 115.946 -176.504 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.1 m -162.04 154.4 19.55 Favored 'General case' 0 C--N 1.39 2.365 0 N-CA-C 106.911 -1.515 . . . . 0.0 106.911 178.409 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.2 p -143.21 158.5 43.57 Favored 'General case' 0 C--N 1.382 2.015 0 C-N-CA 123.553 0.741 . . . . 0.0 111.853 -165.372 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -127.66 116.13 19.82 Favored 'General case' 0 C--N 1.387 2.231 0 CA-C-O 123.035 1.398 . . . . 0.0 110.708 -171.664 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.2 m -76.9 124.95 28.49 Favored 'General case' 0 C--N 1.39 2.361 0 N-CA-C 104.929 -2.248 . . . . 0.0 104.929 170.607 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.4 t -123.25 139.05 54.44 Favored 'General case' 0 C--N 1.385 2.13 0 CA-C-O 124.524 2.107 . . . . 0.0 110.361 -172.825 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.3 -22.0 15.79 Favored 'General case' 0 CA--C 1.569 1.701 0 C-N-CA 129.788 3.235 . . . . 0.0 110.034 174.315 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -81.31 108.27 14.8 Favored 'General case' 0 C--N 1.391 2.382 0 N-CA-C 102.401 -3.185 . . . . 0.0 102.401 171.179 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.148 66.0 m-20 -47.39 7.91 0.0 OUTLIER 'General case' 0 CA--C 1.584 2.276 1 C-N-CA 132.95 4.5 . . . . 0.0 118.6 -172.713 . . . . . . . . 4 3 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.1 t -149.91 131.35 14.74 Favored 'General case' 0 C--N 1.38 1.901 0 CA-C-N 122.186 2.267 . . . . 0.0 107.097 -178.495 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.3 p -136.4 144.11 44.33 Favored 'General case' 0 C--N 1.383 2.058 0 CA-C-O 123.288 1.518 . . . . 0.0 109.7 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -127.17 162.2 26.71 Favored 'General case' 0 C--N 1.386 2.161 0 N-CA-C 118.045 2.609 . . . . 0.0 118.045 -157.235 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.505 ' NZ ' ' OXT' ' A' ' 59' ' ' LEU . 65.7 mmtt -93.37 139.08 31.07 Favored 'General case' 0 C--N 1.398 2.677 0 CA-C-O 122.783 1.278 . . . . 0.0 107.716 166.407 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.568 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 2.6 t30 -136.03 122.86 21.21 Favored 'General case' 0 CA--C 1.575 1.938 0 N-CA-C 103.143 -2.91 . . . . 0.0 103.143 -179.359 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.29 -17.23 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.403 2.921 0 N-CA-C 117.996 2.591 . . . . 0.0 117.996 -151.428 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.568 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -81.76 -105.84 0.03 OUTLIER 'General case' 0 CA--C 1.589 2.448 1 C-N-CA 133.471 4.708 . . . . 0.0 106.694 179.219 . . . . . . . . 4 4 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 t 79.03 159.72 0.18 Allowed 'General case' 0 C--N 1.393 2.464 0 C-N-CA 125.13 1.372 . . . . 0.0 113.951 173.05 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -68.98 -39.07 79.62 Favored 'General case' 0 C--N 1.392 2.433 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.316 -179.92 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -77.36 -5.26 48.98 Favored 'General case' 0 CA--C 1.577 1.997 0 C-N-CA 127.773 2.429 . . . . 0.0 113.015 179.227 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 44.6 t30 65.34 74.1 0.39 Allowed 'General case' 0 C--N 1.397 2.66 0 CA-C-N 122.027 2.194 . . . . 0.0 106.779 173.746 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 tp -167.04 164.28 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.397 2.651 0 C-N-CA 118.06 -1.456 . . . . 0.0 113.422 -169.162 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.2 mp -100.98 100.78 11.04 Favored 'Isoleucine or valine' 0 C--N 1.39 2.365 0 N-CA-C 104.987 -2.227 . . . . 0.0 104.987 179.266 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.575 HH11 ' HG2' ' A' ' 34' ' ' ARG . 1.6 ttp85 -147.38 108.41 4.22 Favored 'General case' 0 C--N 1.386 2.179 0 N-CA-C 102.802 -3.036 . . . . 0.0 102.802 -171.145 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.467 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.7 OUTLIER -140.26 -170.09 2.9 Favored 'General case' 0 C--N 1.387 2.207 0 CA-C-N 112.732 -2.031 . . . . 0.0 114.261 -154.698 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 172.64 -164.04 36.14 Favored Glycine 1 C--N 1.4 4.099 1 C-N-CA 113.206 -4.331 . . . . 0.0 122.226 -175.094 . . . . . . . . 3 2 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.1 t -87.79 111.95 21.92 Favored 'General case' 0 C--N 1.39 2.337 0 C-N-CA 126.108 1.763 . . . . 0.0 108.853 -177.156 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.54 -93.45 0.09 OUTLIER Glycine 1 C--N 1.4 4.095 0 C-N-CA 116.12 -2.943 . . . . 0.0 107.29 173.758 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.362 43.0 t 82.0 -55.31 0.24 Allowed 'General case' 0 C--N 1.386 2.161 0 C-N-CA 124.963 1.305 . . . . 0.0 112.203 174.801 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 . . . . . 0 C--N 1.388 2.252 0 N-CA-C 107.008 -1.478 . . . . 0.0 107.008 -167.896 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 2.184 0 CA-C-O 122.113 0.841 . . . . 0.0 114.115 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -85.01 168.49 10.59 Favored 'Trans proline' 0 C--N 1.382 2.321 0 C-N-CA 122.821 2.347 . . . . 0.0 111.228 179.416 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -84.8 114.5 22.12 Favored 'General case' 0 CA--C 1.577 2.012 0 N-CA-C 101.742 -3.429 . . . . 0.0 101.742 177.077 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 17.7 m -112.33 156.81 21.83 Favored 'General case' 0 C--N 1.396 2.618 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 -165.916 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.5 t -129.88 159.31 36.99 Favored 'General case' 0 C--N 1.383 2.033 0 CA-C-N 113.322 -1.763 . . . . 0.0 110.418 176.442 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -128.23 46.08 2.65 Favored 'General case' 0 C--N 1.375 1.688 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.298 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.4 p -153.12 175.17 13.31 Favored 'General case' 0 C--N 1.385 2.133 0 CA-C-O 121.561 0.696 . . . . 0.0 111.395 179.172 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.463 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 16.1 t0 -74.08 109.84 7.9 Favored 'General case' 0 CA--C 1.582 2.209 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 -175.929 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.463 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 10.3 mptt 73.37 -53.09 0.7 Allowed 'General case' 0 C--N 1.395 2.586 0 C-N-CA 127.802 2.441 . . . . 0.0 114.304 173.337 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 56.43 51.95 10.68 Favored 'General case' 0 CA--C 1.581 2.163 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 -177.933 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.6 m120 63.79 79.21 0.26 Allowed 'General case' 0 C--N 1.392 2.451 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 177.344 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.505 ' OXT' ' NZ ' ' A' ' 24' ' ' LYS . 86.9 mt . . . . . 0 CA--C 1.599 2.859 0 C-N-CA 126.14 1.776 . . . . 0.0 112.692 170.51 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 1 N--CA 1.552 4.645 0 CA-C-O 117.888 -1.053 . . . . 0.0 108.91 . . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.402 HG12 ' HA ' ' A' ' 16' ' ' THR . 10.1 mt -93.95 144.11 10.26 Favored 'Isoleucine or valine' 0 C--N 1.397 2.67 0 CA-C-N 120.655 1.57 . . . . 0.0 110.773 -179.001 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.2 m -147.96 166.43 27.71 Favored 'General case' 0 C--N 1.388 2.28 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.907 167.607 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -75.14 165.95 24.41 Favored 'General case' 0 C--N 1.387 2.198 0 CA-C-O 122.035 0.921 . . . . 0.0 112.277 177.135 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -161.71 50.43 0.22 Allowed 'General case' 0 C--N 1.382 2.006 0 N-CA-C 104.219 -2.512 . . . . 0.0 104.219 168.504 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.51 ' C ' HD12 ' A' ' 7' ' ' LEU 2.194 4.4 m170 -89.46 -147.03 0.17 Allowed 'General case' 0 C--N 1.387 2.196 0 C-N-CA 124.972 1.309 . . . . 0.0 108.76 177.048 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.51 HD12 ' C ' ' A' ' 6' ' ' HIS 0.282 0.3 OUTLIER 62.66 -175.12 0.15 Allowed 'General case' 0 C--N 1.386 2.179 0 CA-C-O 122.359 1.076 . . . . 0.0 113.785 170.21 . . . . . . . . 4 4 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.51 -55.43 4.47 Favored Glycine 0 C--N 1.388 3.445 0 N-CA-C 109.516 -1.433 . . . . 0.0 109.516 -171.41 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.3 m -163.05 -43.79 0.03 OUTLIER 'General case' 0 C--N 1.378 1.83 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 -177.609 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.2 mmtt -107.16 129.6 24.09 Favored Pre-proline 0 C--N 1.388 2.271 0 C-N-CA 123.076 0.551 . . . . 0.0 111.22 -173.915 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -97.16 5.14 1.56 Allowed 'Trans proline' 0 CA--C 1.6 3.789 0 N-CA-C 119.883 2.993 . . . . 0.0 119.883 -176.366 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -91.8 -19.96 0.72 Allowed 'Trans proline' 0 C--N 1.406 3.557 1 N-CA-C 124.21 4.658 . . . . 0.0 124.21 -175.148 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.1 p -89.85 141.9 28.2 Favored 'General case' 0 C--N 1.392 2.423 0 CA-C-N 123.539 2.881 . . . . 0.0 116.197 -172.402 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.8 p -130.59 140.24 50.44 Favored 'General case' 0 C--N 1.38 1.904 0 CA-C-N 113.088 -1.869 . . . . 0.0 106.42 173.318 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -103.93 118.08 35.84 Favored 'General case' 0 C--N 1.381 1.943 0 CA-C-O 121.309 0.576 . . . . 0.0 109.747 -172.027 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.402 ' HA ' HG12 ' A' ' 2' ' ' ILE . 54.5 m -84.97 109.42 18.16 Favored 'General case' 0 C--N 1.388 2.273 0 N-CA-C 103.068 -2.938 . . . . 0.0 103.068 173.237 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.3 t -114.5 150.5 34.76 Favored 'General case' 0 C--N 1.394 2.539 0 CA-C-O 123.494 1.616 . . . . 0.0 113.364 -168.168 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -81.25 -3.36 52.17 Favored 'General case' 0 C--N 1.382 1.983 0 CA-C-N 112.995 -1.912 . . . . 0.0 112.595 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -100.47 137.16 39.26 Favored 'General case' 0 C--N 1.388 2.26 0 CA-C-O 123.917 1.817 . . . . 0.0 109.281 -178.313 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.145 24.0 m-20 -45.38 -44.19 11.69 Favored 'General case' 0 C--N 1.38 1.899 0 C-N-CA 128.332 2.653 . . . . 0.0 111.048 -176.052 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.7 t -129.08 147.47 50.94 Favored 'General case' 0 C--N 1.391 2.377 0 CA-C-O 123.611 1.672 . . . . 0.0 113.018 -174.738 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.266 26.1 p -136.08 155.84 49.6 Favored 'General case' 0 C--N 1.388 2.275 0 CA-C-N 114.409 -1.268 . . . . 0.0 112.81 179.81 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -132.67 155.79 48.14 Favored 'General case' 0 C--N 1.391 2.405 0 N-CA-C 116.693 2.109 . . . . 0.0 116.693 -159.078 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.21 124.33 45.51 Favored 'General case' 0 C--N 1.394 2.508 0 CA-C-N 113.619 -1.628 . . . . 0.0 108.394 178.241 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.551 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 0.8 OUTLIER -118.98 115.45 24.37 Favored 'General case' 0 CA--C 1.591 2.522 0 N-CA-C 102.555 -3.128 . . . . 0.0 102.555 -178.69 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -119.63 -26.49 2.39 Favored 'Isoleucine or valine' 0 C--N 1.402 2.876 0 N-CA-C 117.843 2.534 . . . . 0.0 117.843 -155.666 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.582 ' N ' ' CD1' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -63.16 -104.6 0.0 OUTLIER 'General case' 0 CA--C 1.599 2.837 1 C-N-CA 132.226 4.211 . . . . 0.0 106.866 168.221 . . . . . . . . 4 4 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.4 t 76.54 158.55 0.2 Allowed 'General case' 0 C--N 1.393 2.479 0 C-N-CA 126.31 1.844 . . . . 0.0 111.103 178.629 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -62.86 -44.12 96.97 Favored 'General case' 0 C--N 1.388 2.252 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.035 173.582 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -73.93 -2.06 22.37 Favored 'General case' 0 CA--C 1.581 2.172 0 CA-C-O 116.152 -1.88 . . . . 0.0 114.357 -178.385 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.0 t30 61.86 71.23 0.55 Allowed 'General case' 0 C--N 1.397 2.66 0 CA-C-N 124.014 3.097 . . . . 0.0 105.772 177.009 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.1 tp -166.92 158.08 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.391 2.373 0 C-N-CA 117.584 -1.646 . . . . 0.0 111.786 -173.129 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 52.0 mt -92.63 90.94 3.21 Favored 'Isoleucine or valine' 0 C--N 1.388 2.254 0 N-CA-C 103.644 -2.724 . . . . 0.0 103.644 176.902 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.472 HH11 ' HG3' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -141.44 124.86 16.61 Favored 'General case' 0 C--N 1.384 2.07 0 N-CA-C 102.657 -3.09 . . . . 0.0 102.657 -176.11 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.416 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -161.29 -164.8 1.2 Allowed 'General case' 0 C--N 1.391 2.393 0 CA-C-N 112.886 -1.961 . . . . 0.0 112.442 -149.4 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -166.37 -167.16 26.61 Favored Glycine 0 C--N 1.391 3.601 1 C-N-CA 112.437 -4.697 . . . . 0.0 119.194 -170.251 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.1 t -102.72 116.73 33.15 Favored 'General case' 0 C--N 1.379 1.885 0 CA-C-N 112.06 -2.07 . . . . 0.0 108.746 -173.947 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.79 -81.9 0.05 OUTLIER Glycine 0 C--N 1.397 3.937 0 C-N-CA 115.698 -3.144 . . . . 0.0 106.36 178.326 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.37 41.9 t 82.36 -53.85 0.22 Allowed 'General case' 0 C--N 1.384 2.069 0 CA-C-N 113.275 -1.462 . . . . 0.0 108.934 -178.949 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 . . . . . 0 C--N 1.38 1.908 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 -168.714 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.559 2.805 0 N-CA-C 114.666 0.627 . . . . 0.0 114.666 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 0.6 OUTLIER -62.19 169.84 7.22 Favored 'Trans proline' 0 C--N 1.392 2.83 0 C-N-CA 122.545 2.163 . . . . 0.0 115.331 174.451 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -103.61 137.16 42.06 Favored 'General case' 0 C--N 1.384 2.102 0 CA-C-N 114.443 -1.253 . . . . 0.0 109.298 179.935 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.2 m -119.36 157.14 28.76 Favored 'General case' 0 C--N 1.395 2.573 0 N-CA-C 117.849 2.537 . . . . 0.0 117.849 -165.065 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.8 t -128.11 151.12 49.59 Favored 'General case' 0 C--N 1.384 2.07 0 CA-C-N 113.139 -1.846 . . . . 0.0 108.189 170.692 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.17 34.49 5.2 Favored 'General case' 0 C--N 1.379 1.866 0 O-C-N 120.753 -1.217 . . . . 0.0 111.407 -176.393 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.2 t -137.7 -178.05 5.07 Favored 'General case' 0 C--N 1.38 1.901 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.277 178.17 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.64 102.46 8.94 Favored 'General case' 0 C--N 1.382 1.989 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 -169.416 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? 73.52 -54.98 0.68 Allowed 'General case' 0 C--N 1.394 2.502 0 C-N-CA 126.396 1.878 . . . . 0.0 110.971 -179.588 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.25 75.1 m 78.55 -50.44 0.47 Allowed 'General case' 0 C--N 1.381 1.956 0 C-N-CA 129.043 2.937 . . . . 0.0 108.111 -176.032 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -164.2 -82.22 0.03 OUTLIER 'General case' 0 C--N 1.387 2.198 0 N-CA-C 104.282 -2.488 . . . . 0.0 104.282 176.571 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.1 tp . . . . . 0 CA--C 1.575 1.908 1 N-CA-C 98.95 -4.463 . . . . 0.0 98.95 177.284 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.529 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.536 3.854 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 . . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 27.9 mt -87.02 119.58 35.03 Favored 'Isoleucine or valine' 0 C--N 1.395 2.544 0 CA-C-O 122.253 1.025 . . . . 0.0 109.696 -169.226 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.5 m -138.96 136.8 35.8 Favored 'General case' 0 C--N 1.388 2.249 0 N-CA-C 106.4 -1.704 . . . . 0.0 106.4 175.837 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -76.67 159.57 30.11 Favored 'General case' 0 C--N 1.389 2.322 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -163.099 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 51.1 p-10 -147.18 37.3 0.94 Allowed 'General case' 0 C--N 1.393 2.465 0 C-N-CA 118.704 -1.199 . . . . 0.0 109.53 179.786 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.221 6.8 m170 -78.42 -143.69 0.03 OUTLIER 'General case' 0 CA--C 1.585 2.321 0 C-N-CA 125.03 1.332 . . . . 0.0 109.758 -179.329 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.323 5.4 mp 68.17 179.96 0.23 Allowed 'General case' 0 C--N 1.393 2.499 0 O-C-N 120.321 -1.487 . . . . 0.0 113.902 173.192 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.97 -63.94 3.97 Favored Glycine 0 C--N 1.39 3.552 0 N-CA-C 108.741 -1.744 . . . . 0.0 108.741 -169.705 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.6 m -161.43 -45.88 0.04 OUTLIER 'General case' 0 C--N 1.379 1.874 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 -179.58 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -96.03 124.91 50.35 Favored Pre-proline 0 C--N 1.385 2.116 0 CA-C-O 118.555 -0.736 . . . . 0.0 109.046 -177.336 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -101.86 -4.13 0.36 Allowed 'Trans proline' 0 C--N 1.409 3.745 0 CA-C-O 114.922 -2.199 . . . . 0.0 117.502 -179.271 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -73.86 -17.82 22.35 Favored 'Trans proline' 0 C--N 1.401 3.293 1 N-CA-C 123.767 4.487 . . . . 0.0 123.767 -176.619 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.1 p -97.9 154.48 17.62 Favored 'General case' 0 C--N 1.394 2.508 0 CA-C-N 124.691 3.405 . . . . 0.0 115.64 -174.206 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.9 p -135.16 148.59 49.76 Favored 'General case' 0 C--N 1.376 1.73 0 CA-C-N 111.728 -2.487 . . . . 0.0 109.319 -179.536 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -102.27 103.2 13.67 Favored 'General case' 0 C--N 1.38 1.929 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 -170.542 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 36.8 m -86.89 105.62 17.19 Favored 'General case' 0 C--N 1.388 2.254 0 N-CA-C 102.979 -2.971 . . . . 0.0 102.979 179.574 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.3 t -115.32 154.87 28.35 Favored 'General case' 0 C--N 1.396 2.614 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -164.287 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -95.67 -29.89 14.06 Favored 'General case' 0 C--N 1.382 1.98 0 CA-C-N 112.873 -1.967 . . . . 0.0 111.247 177.118 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -74.67 111.57 10.0 Favored 'General case' 0 CA--C 1.583 2.232 0 N-CA-C 103.694 -2.706 . . . . 0.0 103.694 175.353 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.092 76.8 m-20 -54.43 -8.58 0.23 Allowed 'General case' 0 C--N 1.389 2.314 0 C-N-CA 128.289 2.635 . . . . 0.0 116.658 -174.919 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.8 t -118.36 133.48 55.84 Favored 'General case' 0 C--N 1.381 1.941 0 CA-C-N 120.401 1.455 . . . . 0.0 107.929 -179.451 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.8 p -133.55 146.66 51.24 Favored 'General case' 0 C--N 1.381 1.949 0 CA-C-O 123.775 1.75 . . . . 0.0 109.886 178.373 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -130.77 143.85 51.03 Favored 'General case' 0 C--N 1.385 2.145 0 CA-C-N 113.058 -1.883 . . . . 0.0 114.805 -155.933 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.35 116.98 29.45 Favored 'General case' 0 C--N 1.388 2.275 0 N-CA-C 105.812 -1.921 . . . . 0.0 105.812 178.318 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.585 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 5.5 t30 -119.81 123.24 43.2 Favored 'General case' 0 CA--C 1.587 2.384 0 N-CA-C 104.637 -2.357 . . . . 0.0 104.637 -178.309 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 pp -132.96 4.53 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.402 2.848 0 N-CA-C 118.233 2.679 . . . . 0.0 118.233 -148.165 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.585 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -112.84 -104.18 0.4 Allowed 'General case' 0 CA--C 1.576 1.967 1 C-N-CA 132.74 4.416 . . . . 0.0 103.818 -172.61 . . . . . . . . 4 4 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.7 t 73.15 161.48 0.25 Allowed 'General case' 0 C--N 1.39 2.362 0 CA-C-O 122.074 0.94 . . . . 0.0 110.589 179.888 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -62.06 -28.5 69.64 Favored 'General case' 0 C--N 1.387 2.197 0 O-C-N 121.607 -0.683 . . . . 0.0 111.727 178.727 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -93.59 10.63 31.84 Favored 'General case' 0 CA--C 1.578 2.046 0 C-N-CA 127.826 2.45 . . . . 0.0 114.226 -176.047 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.5 t30 49.35 64.95 1.54 Allowed 'General case' 0 C--N 1.394 2.526 0 CA-C-N 121.666 2.03 . . . . 0.0 106.266 176.377 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 tp -146.81 171.78 3.48 Favored 'Isoleucine or valine' 0 C--N 1.386 2.159 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.739 -169.076 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . 0.252 16.8 mt -111.08 98.43 7.04 Favored 'Isoleucine or valine' 0 C--N 1.389 2.297 0 N-CA-C 105.465 -2.05 . . . . 0.0 105.465 174.713 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.76 108.44 4.67 Favored 'General case' 0 C--N 1.381 1.956 0 N-CA-C 100.611 -3.848 . . . . 0.0 100.611 -174.951 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -141.51 -175.84 4.51 Favored 'General case' 0 C--N 1.374 1.66 0 CA-C-N 109.548 -3.478 . . . . 0.0 111.727 -153.704 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -161.5 -159.19 9.9 Favored Glycine 0 C--N 1.391 3.589 0 C-N-CA 113.965 -3.969 . . . . 0.0 117.147 -168.661 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.8 t -130.41 117.95 20.47 Favored 'General case' 0 CA--C 1.575 1.929 0 CA-C-O 123.075 1.417 . . . . 0.0 109.156 -179.885 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.33 -79.96 0.05 OUTLIER Glycine 0 C--N 1.388 3.442 1 N-CA-C 102.025 -4.43 . . . . 0.0 102.025 175.058 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.482 42.0 t 65.55 -149.79 0.24 Allowed 'General case' 0 C--N 1.389 2.286 0 N-CA-C 116.374 1.991 . . . . 0.0 116.374 167.834 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 . . . . . 0 C--N 1.389 2.283 0 CA-C-N 113.553 -1.658 . . . . 0.0 106.525 -178.918 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.559 2.841 0 N-CA-C 110.27 -1.132 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -55.46 161.33 7.58 Favored 'Trans proline' 0 C--N 1.393 2.899 0 N-CA-C 108.155 -1.517 . . . . 0.0 108.155 165.922 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -91.77 115.47 28.08 Favored 'General case' 0 C--N 1.379 1.887 0 N-CA-C 104.623 -2.362 . . . . 0.0 104.623 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.7 m -118.06 118.97 33.36 Favored 'General case' 0 C--N 1.392 2.429 0 CA-C-O 123.3 1.524 . . . . 0.0 109.553 -166.936 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 36.3 t -97.1 174.98 6.47 Favored 'General case' 0 C--N 1.379 1.89 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.214 173.498 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.27 42.52 2.73 Favored 'General case' 0 C--N 1.385 2.142 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -169.757 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.1 t -172.73 106.35 0.16 Allowed 'General case' 0 C--N 1.388 2.244 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 174.543 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.51 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 8.1 t0 64.84 -167.54 0.22 Allowed 'General case' 0 C--N 1.389 2.294 0 CA-C-O 122.655 1.217 . . . . 0.0 110.595 179.276 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.51 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.271 0.0 OUTLIER -55.62 -40.84 72.65 Favored 'General case' 0 C--N 1.385 2.149 0 CA-C-O 116.316 -1.802 . . . . 0.0 111.941 -177.82 . . . . . . . . 4 4 . 1 . 035 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 52.4 t 45.48 67.73 0.68 Allowed 'General case' 0 C--N 1.384 2.084 0 CA-C-N 121.084 1.766 . . . . 0.0 107.49 174.759 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.9 m120 86.45 65.92 0.01 OUTLIER 'General case' 0 C--N 1.392 2.435 0 C-N-CA 125.439 1.496 . . . . 0.0 110.245 169.116 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.6 tp . . . . . 0 CA--C 1.587 2.388 0 C-N-CA 126.104 1.762 . . . . 0.0 107.74 175.759 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.448 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.531 3.614 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 . . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.5 mp -83.85 118.11 30.67 Favored 'Isoleucine or valine' 0 C--N 1.392 2.446 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -176.336 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.2 p -143.13 148.09 36.03 Favored 'General case' 0 C--N 1.384 2.072 0 CA-C-O 122.799 1.285 . . . . 0.0 109.166 168.514 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.9 m-30 -87.43 177.59 7.06 Favored 'General case' 0 C--N 1.389 2.317 0 N-CA-C 115.804 1.779 . . . . 0.0 115.804 -160.506 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 35.4 p-10 -149.08 44.97 0.99 Allowed 'General case' 0 C--N 1.387 2.233 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 172.784 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.184 12.1 m170 -81.29 -162.51 0.51 Allowed 'General case' 0 C--N 1.389 2.308 0 C-N-CA 127.795 2.438 . . . . 0.0 114.514 -175.911 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.352 3.1 mp 69.59 -171.28 0.17 Allowed 'General case' 0 C--N 1.388 2.256 0 C-N-CA 124.979 1.312 . . . . 0.0 113.284 174.927 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.89 -53.47 4.25 Favored Glycine 0 C--N 1.386 3.312 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 -170.575 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.0 m -169.75 -49.16 0.02 OUTLIER 'General case' 0 C--N 1.382 1.982 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 -171.768 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -100.26 130.52 25.76 Favored Pre-proline 0 CA--C 1.579 2.077 0 CA-C-O 118.476 -0.773 . . . . 0.0 110.18 -177.018 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -97.65 -9.39 0.65 Allowed 'Trans proline' 0 C--N 1.412 3.918 0 N-CA-C 118.438 2.438 . . . . 0.0 118.438 -179.359 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -86.67 -16.82 3.56 Favored 'Trans proline' 0 C--N 1.401 3.34 1 N-CA-C 125.015 4.967 . . . . 0.0 125.015 -174.442 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.7 p -79.42 150.43 31.31 Favored 'General case' 0 C--N 1.395 2.55 0 CA-C-N 124.895 3.498 . . . . 0.0 114.913 -173.181 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 61.2 p -142.27 159.23 42.64 Favored 'General case' 0 C--N 1.383 2.04 0 CA-C-N 111.552 -2.567 . . . . 0.0 111.298 -170.47 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -129.42 103.31 6.83 Favored 'General case' 0 C--N 1.386 2.162 0 CA-C-O 123.031 1.396 . . . . 0.0 107.353 -176.102 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 79.2 m -76.43 106.29 7.98 Favored 'General case' 0 C--N 1.392 2.445 0 N-CA-C 102.208 -3.256 . . . . 0.0 102.208 173.481 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.8 t -116.23 153.32 32.08 Favored 'General case' 0 C--N 1.385 2.144 0 O-C-N 121.493 -0.754 . . . . 0.0 111.65 -169.651 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -105.46 26.5 9.38 Favored 'General case' 0 C--N 1.383 2.035 0 C-N-CA 124.47 1.108 . . . . 0.0 111.048 176.338 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.434 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 45.7 mt-10 -110.75 114.92 28.66 Favored 'General case' 0 C--N 1.383 2.023 0 N-CA-C 101.296 -3.594 . . . . 0.0 101.296 171.259 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.448 ' OD2' ' N ' ' A' ' 1' ' ' ARG 2.175 72.6 m-20 -57.32 1.3 0.04 OUTLIER 'General case' 0 CA--C 1.584 2.281 0 N-CA-C 116.645 2.091 . . . . 0.0 116.645 -171.453 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.2 m -151.54 155.95 39.53 Favored 'General case' 0 C--N 1.381 1.969 0 CA-C-N 121.094 1.77 . . . . 0.0 108.955 -178.734 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.8 p -149.09 153.29 37.57 Favored 'General case' 0 C--N 1.382 2.018 0 C-N-CA 117.611 -1.636 . . . . 0.0 112.526 -177.569 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -112.67 144.07 42.81 Favored 'General case' 0 C--N 1.384 2.078 0 CA-C-O 123.33 1.538 . . . . 0.0 112.612 -162.179 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.424 ' NZ ' ' O ' ' A' ' 59' ' ' LEU . 14.8 mtpp -100.42 115.69 30.63 Favored 'General case' 0 C--N 1.383 2.046 0 N-CA-C 104.484 -2.413 . . . . 0.0 104.484 177.141 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.551 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 2.4 t30 -115.34 123.98 50.11 Favored 'General case' 0 CA--C 1.578 2.039 0 N-CA-C 102.445 -3.169 . . . . 0.0 102.445 -176.291 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -135.43 -6.33 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.405 3.003 0 N-CA-C 117.94 2.57 . . . . 0.0 117.94 -147.064 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.551 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -87.89 -105.46 0.07 Allowed 'General case' 0 CA--C 1.578 2.032 1 C-N-CA 131.991 4.116 . . . . 0.0 106.237 -177.793 . . . . . . . . 4 4 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.0 t 75.18 160.42 0.23 Allowed 'General case' 0 C--N 1.391 2.385 0 C-N-CA 123.952 0.901 . . . . 0.0 111.627 178.874 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -67.13 -35.93 80.8 Favored 'General case' 0 C--N 1.389 2.313 0 O-C-N 121.437 -0.789 . . . . 0.0 112.168 -179.247 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -83.02 -9.53 59.22 Favored 'General case' 0 CA--C 1.568 1.658 0 C-N-CA 129.093 2.957 . . . . 0.0 113.002 -179.072 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 69.97 79.47 0.19 Allowed 'General case' 0 C--N 1.393 2.491 0 CA-C-N 122.28 2.309 . . . . 0.0 105.409 179.259 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 tp -159.35 157.23 3.21 Favored 'Isoleucine or valine' 0 C--N 1.391 2.396 0 C-N-CA 118.308 -1.357 . . . . 0.0 112.138 -173.492 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.2 mt -92.79 112.22 25.77 Favored 'Isoleucine or valine' 0 C--N 1.389 2.285 0 N-CA-C 104.372 -2.455 . . . . 0.0 104.372 170.741 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.61 115.49 3.98 Favored 'General case' 0 C--N 1.382 1.993 0 N-CA-C 100.848 -3.76 . . . . 0.0 100.848 -177.46 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.2 -168.48 2.63 Favored 'General case' 0 C--N 1.388 2.282 0 CA-C-N 113.565 -1.652 . . . . 0.0 113.304 -153.772 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -165.75 -171.25 31.72 Favored Glycine 0 C--N 1.394 3.795 1 C-N-CA 113.417 -4.23 . . . . 0.0 119.335 -176.507 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.434 ' SG ' ' HB2' ' A' ' 19' ' ' GLU . 50.9 t -83.92 116.53 22.83 Favored 'General case' 0 C--N 1.384 2.102 0 CA-C-N 113.241 -1.479 . . . . 0.0 108.649 -174.872 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.25 -95.73 0.1 Allowed Glycine 1 C--N 1.4 4.136 0 C-N-CA 116.832 -2.604 . . . . 0.0 106.865 179.874 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.376 42.7 t 83.61 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.386 2.181 0 CA-C-O 122.236 1.017 . . . . 0.0 109.019 178.448 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 CA--C 1.587 2.399 0 N-CA-C 103.186 -2.894 . . . . 0.0 103.186 179.382 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.556 2.61 0 CA-C-O 121.996 0.775 . . . . 0.0 114.04 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -50.04 146.41 17.31 Favored 'Trans proline' 0 C--N 1.39 2.763 0 N-CA-C 107.223 -1.876 . . . . 0.0 107.223 167.69 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -75.78 155.09 35.81 Favored 'General case' 0 C--N 1.393 2.457 0 CA-C-N 114.52 -1.218 . . . . 0.0 111.353 -178.186 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 2.8 m -118.76 161.57 19.91 Favored 'General case' 0 C--N 1.389 2.289 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 -166.606 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.8 t -141.9 140.17 32.77 Favored 'General case' 0 C--N 1.379 1.886 0 CA-C-N 112.283 -2.235 . . . . 0.0 107.537 174.686 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -130.26 64.11 1.54 Allowed 'General case' 0 C--N 1.375 1.713 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 -176.654 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.0 m -160.0 76.12 0.62 Allowed 'General case' 0 C--N 1.386 2.169 0 N-CA-C 104.901 -2.259 . . . . 0.0 104.901 -175.969 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.526 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 21.9 t0 58.38 -148.74 0.47 Allowed 'General case' 0 CA--C 1.589 2.444 0 CA-C-O 123.697 1.713 . . . . 0.0 107.926 177.874 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.526 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -60.46 -30.32 69.59 Favored 'General case' 0 C--N 1.382 1.989 0 CA-C-N 114.263 -1.335 . . . . 0.0 111.61 179.876 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.4 t 51.37 59.29 4.7 Favored 'General case' 0 C--N 1.387 2.221 0 CA-C-N 121.08 1.764 . . . . 0.0 107.26 177.479 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.6 m120 52.17 71.21 0.48 Allowed 'General case' 0 C--N 1.388 2.247 0 C-N-CA 127.325 2.25 . . . . 0.0 108.785 170.802 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.424 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 18.3 mt . . . . . 0 CA--C 1.587 2.368 0 C-N-CA 129.527 3.131 . . . . 0.0 108.173 173.96 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.467 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 1 N--CA 1.543 4.203 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 . . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -92.55 131.04 40.72 Favored 'Isoleucine or valine' 0 C--N 1.39 2.335 0 CA-C-N 119.379 0.99 . . . . 0.0 109.851 -174.579 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.0 m -136.9 158.17 45.07 Favored 'General case' 0 C--N 1.392 2.421 0 CA-C-O 121.858 0.837 . . . . 0.0 109.121 164.29 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -80.08 161.88 25.1 Favored 'General case' 0 C--N 1.382 2.021 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 -171.176 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -144.74 58.68 1.31 Allowed 'General case' 0 C--N 1.389 2.297 0 N-CA-C 103.215 -2.883 . . . . 0.0 103.215 164.129 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.145 14.5 m170 -108.87 -170.95 1.75 Allowed 'General case' 0 C--N 1.386 2.19 0 C-N-CA 128.458 2.703 . . . . 0.0 113.276 -174.789 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.284 14.9 mt 72.2 -166.62 0.13 Allowed 'General case' 0 C--N 1.38 1.907 0 CA-C-O 123.009 1.385 . . . . 0.0 113.123 174.129 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.33 46.4 93.0 Favored Glycine 0 C--N 1.38 2.983 0 N-CA-C 109.154 -1.578 . . . . 0.0 109.154 -171.978 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.7 m 109.56 -40.33 0.01 OUTLIER 'General case' 0 C--N 1.39 2.344 1 C-N-CA 131.872 4.069 . . . . 0.0 110.835 173.871 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -121.3 127.15 26.27 Favored Pre-proline 0 CA--C 1.584 2.272 0 CA-C-N 118.746 0.703 . . . . 0.0 112.249 -170.911 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -96.8 1.06 1.82 Allowed 'Trans proline' 0 C--N 1.407 3.612 0 N-CA-C 118.811 2.581 . . . . 0.0 118.811 -179.385 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -73.37 -17.62 23.85 Favored 'Trans proline' 0 C--N 1.403 3.437 1 N-CA-C 124.513 4.774 . . . . 0.0 124.513 -175.455 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.5 p -100.18 147.46 25.68 Favored 'General case' 0 C--N 1.396 2.605 0 CA-C-N 125.585 3.811 . . . . 0.0 116.136 -176.689 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 41.2 p -138.37 152.15 48.16 Favored 'General case' 0 C--N 1.383 2.032 0 CA-C-N 112.111 -2.313 . . . . 0.0 110.251 176.336 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -109.56 93.88 4.74 Favored 'General case' 0 C--N 1.381 1.94 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 -176.51 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.2 m -68.58 114.41 6.95 Favored 'General case' 0 C--N 1.398 2.682 0 N-CA-C 102.786 -3.042 . . . . 0.0 102.786 169.936 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -118.9 150.79 39.29 Favored 'General case' 0 C--N 1.394 2.542 0 CA-C-O 123.723 1.725 . . . . 0.0 114.884 -166.03 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -94.5 -11.05 30.4 Favored 'General case' 0 CA--C 1.578 2.032 0 CA-C-N 111.757 -2.474 . . . . 0.0 110.997 176.596 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -94.5 127.47 40.44 Favored 'General case' 0 C--N 1.397 2.634 0 N-CA-C 106.292 -1.744 . . . . 0.0 106.292 174.84 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.467 ' OD2' ' N ' ' A' ' 1' ' ' ARG 2.15 73.4 m-20 -62.5 -6.22 3.22 Favored 'General case' 0 C--N 1.389 2.295 0 C-N-CA 129.431 3.092 . . . . 0.0 118.332 -169.712 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.4 m -150.44 152.15 33.85 Favored 'General case' 0 C--N 1.375 1.697 0 CA-C-O 123.258 1.504 . . . . 0.0 108.126 -178.157 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.0 p -136.2 154.24 51.0 Favored 'General case' 0 C--N 1.378 1.81 0 CA-C-N 113.671 -1.604 . . . . 0.0 112.218 -178.057 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -114.13 122.02 45.57 Favored 'General case' 0 C--N 1.38 1.918 0 CA-C-N 113.682 -1.599 . . . . 0.0 108.895 -167.2 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -80.79 128.04 33.2 Favored 'General case' 0 C--N 1.397 2.67 0 CA-C-O 124.481 2.086 . . . . 0.0 105.844 172.987 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.72 HD22 ' HE1' ' A' ' 27' ' ' TRP . 1.0 OUTLIER -115.89 102.63 9.85 Favored 'General case' 0 CA--C 1.574 1.889 1 N-CA-C 97.193 -5.114 . . . . 0.0 97.193 -179.149 . . . . . . . . 4 4 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -111.63 21.75 5.62 Favored 'Isoleucine or valine' 0 C--N 1.388 2.252 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 -159.188 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.72 ' HE1' HD22 ' A' ' 25' ' ' ASN . 0.0 OUTLIER -140.7 -88.48 0.17 Allowed 'General case' 0 CA--C 1.568 1.664 0 C-N-CA 131.416 3.886 . . . . 0.0 102.996 -167.678 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.274 11.4 t 79.35 -100.24 0.02 OUTLIER 'General case' 0 C--N 1.387 2.216 0 C-N-CA 126.902 2.081 . . . . 0.0 106.313 173.134 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -153.77 48.59 0.65 Allowed 'General case' 0 C--N 1.393 2.471 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 172.637 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -172.41 -34.07 0.01 OUTLIER 'General case' 0 C--N 1.394 2.534 0 C-N-CA 118.105 -1.438 . . . . 0.0 112.157 -167.007 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 93.59 70.25 0.0 OUTLIER 'General case' 0 C--N 1.386 2.162 0 C-N-CA 127.306 2.243 . . . . 0.0 105.066 -178.438 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 tp -155.56 161.25 2.1 Favored 'Isoleucine or valine' 0 C--N 1.388 2.261 0 C-N-CA 120.356 -0.538 . . . . 0.0 111.18 -173.382 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 25.6 mm -89.23 102.94 13.54 Favored 'Isoleucine or valine' 0 C--N 1.393 2.491 0 N-CA-C 105.375 -2.083 . . . . 0.0 105.375 171.122 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.02 112.9 5.74 Favored 'General case' 0 C--N 1.385 2.117 0 N-CA-C 102.578 -3.119 . . . . 0.0 102.578 178.835 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.36 -175.41 5.2 Favored 'General case' 0 C--N 1.398 2.711 0 C-N-CA 116.766 -1.973 . . . . 0.0 116.25 -154.594 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -124.79 167.2 17.18 Favored Glycine 1 C--N 1.399 4.037 0 N-CA-C 118.679 2.232 . . . . 0.0 118.679 -168.448 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.2 t -110.32 110.6 21.46 Favored 'General case' 0 C--N 1.386 2.178 0 N-CA-C 105.962 -1.866 . . . . 0.0 105.962 176.729 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.56 -72.5 0.03 OUTLIER Glycine 0 C--N 1.392 3.684 0 N-CA-C 105.049 -3.22 . . . . 0.0 105.049 178.201 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.531 ' SG ' ' N ' ' A' ' 40' ' ' PHE 2.394 43.0 t 77.15 -166.35 0.05 Allowed 'General case' 0 C--N 1.387 2.203 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 173.821 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.531 ' N ' ' SG ' ' A' ' 39' ' ' CYS . 9.0 m-85 . . . . . 0 C--N 1.38 1.915 0 CA-C-N 112.822 -1.99 . . . . 0.0 109.307 174.184 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.557 2.683 0 N-CA-C 114.532 0.573 . . . . 0.0 114.532 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -53.02 141.33 57.38 Favored 'Trans proline' 0 C--N 1.402 3.392 0 N-CA-C 104.183 -3.045 . . . . 0.0 104.183 166.27 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -76.97 154.27 33.73 Favored 'General case' 0 C--N 1.385 2.115 0 CA-C-N 114.237 -1.347 . . . . 0.0 111.921 -177.45 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 40.0 m -125.38 142.51 51.46 Favored 'General case' 0 C--N 1.388 2.279 0 CA-C-O 124.172 1.939 . . . . 0.0 114.01 -171.155 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 42.0 t -120.06 161.01 21.68 Favored 'General case' 0 C--N 1.378 1.831 0 CA-C-N 112.54 -2.118 . . . . 0.0 110.197 176.661 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -138.06 55.07 1.78 Allowed 'General case' 0 C--N 1.378 1.805 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.229 -176.237 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 65.4 p -139.8 172.12 13.23 Favored 'General case' 0 C--N 1.384 2.098 0 C-N-CA 122.914 0.486 . . . . 0.0 111.224 176.053 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.456 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 30.3 t0 -68.93 124.41 23.65 Favored 'General case' 0 C--N 1.394 2.502 0 N-CA-C 105.686 -1.968 . . . . 0.0 105.686 174.816 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.456 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 38.9 mmtm 76.09 -63.67 0.38 Allowed 'General case' 0 C--N 1.39 2.336 0 C-N-CA 126.468 1.907 . . . . 0.0 112.833 172.328 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 56.6 m 79.42 27.22 0.38 Allowed 'General case' 0 CA--C 1.581 2.139 0 C-N-CA 126.688 1.995 . . . . 0.0 110.813 -174.217 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.8 t30 62.83 75.97 0.38 Allowed 'General case' 0 C--N 1.392 2.452 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 176.369 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 CA--C 1.591 2.528 0 N-CA-C 105.587 -2.005 . . . . 0.0 105.587 -177.189 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.505 ' H1 ' ' CG ' ' A' ' 20' ' ' ASP . 0.8 OUTLIER . . . . . 0 N--CA 1.53 3.563 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 . . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 68.0 mt -83.93 117.41 29.48 Favored 'Isoleucine or valine' 0 C--N 1.396 2.594 0 N-CA-C 105.063 -2.199 . . . . 0.0 105.063 174.314 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.0 m -140.43 163.45 32.79 Favored 'General case' 0 C--N 1.386 2.195 0 O-C-N 120.799 -1.188 . . . . 0.0 110.525 174.931 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -75.81 151.74 37.44 Favored 'General case' 0 C--N 1.382 1.983 0 C-N-CA 118.957 -1.097 . . . . 0.0 113.387 -170.276 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -145.09 56.12 1.24 Allowed 'General case' 0 C--N 1.386 2.176 0 N-CA-C 102.851 -3.018 . . . . 0.0 102.851 166.638 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.16 7.6 m170 -99.61 -175.63 3.04 Favored 'General case' 0 C--N 1.387 2.226 0 C-N-CA 125.601 1.561 . . . . 0.0 112.556 -178.946 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.4 mp 69.55 176.57 0.27 Allowed 'General case' 0 C--N 1.384 2.075 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 172.761 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.49 58.67 12.17 Favored Glycine 0 C--N 1.387 3.406 0 CA-C-O 117.898 -1.501 . . . . 0.0 110.098 -176.629 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.7 m 117.04 -41.12 0.01 OUTLIER 'General case' 0 C--N 1.393 2.496 0 C-N-CA 129.957 3.303 . . . . 0.0 110.53 174.026 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -144.29 126.76 8.41 Favored Pre-proline 0 CA--C 1.583 2.225 0 CA-C-O 118.929 -0.558 . . . . 0.0 110.668 -172.541 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . 0.271 14.0 Cg_endo -88.1 5.0 5.53 Favored 'Trans proline' 1 CA--C 1.605 4.073 0 N-CA-C 119.657 2.907 . . . . 0.0 119.657 179.599 . . . . . . . . 3 2 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -84.0 -25.02 2.45 Favored 'Trans proline' 0 C--N 1.41 3.808 1 N-CA-C 127.763 6.024 . . . . 0.0 127.763 -176.402 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.6 p -91.82 149.54 21.53 Favored 'General case' 0 C--N 1.396 2.602 0 CA-C-N 125.098 3.59 . . . . 0.0 118.866 -172.315 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.5 p -129.22 137.95 51.41 Favored 'General case' 0 C--N 1.381 1.971 0 CA-C-N 110.7 -2.955 . . . . 0.0 106.064 166.567 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -98.18 116.31 30.14 Favored 'General case' 0 C--N 1.376 1.729 0 CA-C-N 115.148 -0.933 . . . . 0.0 108.55 -171.845 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.8 m -76.95 98.46 4.93 Favored 'General case' 0 C--N 1.392 2.444 0 N-CA-C 102.596 -3.113 . . . . 0.0 102.596 173.501 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.4 t -118.64 151.17 38.43 Favored 'General case' 0 C--N 1.39 2.345 0 CA-C-O 122.571 1.177 . . . . 0.0 112.296 -170.871 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -102.19 63.63 0.9 Allowed 'General case' 0 C--N 1.378 1.846 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 179.614 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -146.01 111.97 5.67 Favored 'General case' 0 CA--C 1.572 1.792 1 N-CA-C 99.949 -4.093 . . . . 0.0 99.949 174.268 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.505 ' CG ' ' H1 ' ' A' ' 1' ' ' ARG 2.12 4.1 m-20 -61.52 4.12 0.11 Allowed 'General case' 0 CA--C 1.585 2.314 0 C-N-CA 128.383 2.673 . . . . 0.0 116.393 -166.911 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.8 t -159.3 157.72 31.06 Favored 'General case' 0 C--N 1.381 1.977 0 CA-C-N 120.919 1.69 . . . . 0.0 107.843 -176.727 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.9 p -149.49 150.36 32.21 Favored 'General case' 0 C--N 1.391 2.395 0 C-N-CA 117.512 -1.675 . . . . 0.0 115.222 -176.373 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -118.16 149.99 40.14 Favored 'General case' 0 C--N 1.386 2.158 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 -163.846 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.589 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 43.6 mttm -100.11 115.64 30.27 Favored 'General case' 0 C--N 1.388 2.255 0 N-CA-C 105.137 -2.172 . . . . 0.0 105.137 -177.613 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.677 ' HA ' ' HE1' ' A' ' 27' ' ' TRP . 0.4 OUTLIER -113.16 115.93 29.03 Favored 'General case' 0 CA--C 1.58 2.104 0 N-CA-C 101.313 -3.588 . . . . 0.0 101.313 -177.406 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.01 42.72 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.388 2.275 0 CA-C-O 123.413 1.578 . . . . 0.0 111.78 -165.747 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.677 ' HE1' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -148.81 -83.27 0.11 Allowed 'General case' 0 C--N 1.371 1.535 0 N-CA-C 103.952 -2.61 . . . . 0.0 103.952 -168.47 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.261 10.2 t 70.87 -90.04 0.03 OUTLIER 'General case' 0 CA--C 1.583 2.222 0 N-CA-C 104.911 -2.255 . . . . 0.0 104.911 -175.424 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -179.51 -47.71 0.01 OUTLIER 'General case' 0 C--N 1.384 2.088 0 N-CA-C 103.977 -2.601 . . . . 0.0 103.977 -177.043 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -64.93 -2.96 2.96 Favored 'General case' 0 CA--C 1.584 2.264 0 C-N-CA 130.191 3.396 . . . . 0.0 112.636 170.472 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 70.71 73.38 0.2 Allowed 'General case' 0 C--N 1.395 2.563 0 CA-C-N 122.181 2.264 . . . . 0.0 108.262 173.039 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.7 tp -163.03 162.03 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.394 2.523 0 C-N-CA 118.106 -1.438 . . . . 0.0 113.601 -174.291 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.3 mt -91.96 97.22 6.98 Favored 'Isoleucine or valine' 0 C--N 1.389 2.308 0 N-CA-C 105.068 -2.197 . . . . 0.0 105.068 174.185 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.0 ttp85 -146.02 120.66 9.8 Favored 'General case' 0 C--N 1.384 2.098 0 N-CA-C 101.813 -3.403 . . . . 0.0 101.813 -179.476 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -150.63 -169.43 3.38 Favored 'General case' 0 C--N 1.385 2.125 0 CA-C-N 113.75 -1.568 . . . . 0.0 113.418 -153.937 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -168.15 -176.76 38.86 Favored Glycine 0 C--N 1.396 3.877 1 C-N-CA 112.771 -4.537 . . . . 0.0 119.382 -172.583 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.8 p -94.05 119.4 32.86 Favored 'General case' 0 C--N 1.387 2.239 0 CA-C-N 114.168 -1.016 . . . . 0.0 110.358 -178.251 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.18 -88.67 0.07 OUTLIER Glycine 0 C--N 1.395 3.835 0 N-CA-C 106.001 -2.84 . . . . 0.0 106.001 172.561 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.361 43.5 t 87.24 -56.25 0.04 OUTLIER 'General case' 0 C--N 1.383 2.042 0 CA-C-N 113.164 -1.518 . . . . 0.0 111.251 176.101 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 . . . . . 0 CA--C 1.581 2.138 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 -169.828 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.554 2.503 0 N-CA-C 111.334 -0.706 . . . . 0.0 111.334 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -51.26 155.67 6.4 Favored 'Trans proline' 0 C--N 1.386 2.513 0 C-N-CA 121.614 1.543 . . . . 0.0 111.603 170.359 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -79.84 138.81 37.29 Favored 'General case' 0 CA--C 1.575 1.92 0 CA-C-N 114.0 -1.455 . . . . 0.0 110.136 -177.662 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 4.3 m -119.21 161.96 19.49 Favored 'General case' 0 C--N 1.399 2.745 0 N-CA-C 118.782 2.882 . . . . 0.0 118.782 -163.953 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.6 t -138.03 150.57 47.06 Favored 'General case' 0 C--N 1.387 2.213 0 CA-C-N 113.743 -1.572 . . . . 0.0 111.009 177.897 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.55 53.01 1.0 Allowed 'General case' 0 C--N 1.379 1.854 0 O-C-N 121.436 -0.79 . . . . 0.0 109.033 -174.753 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.1 t -147.38 151.44 36.51 Favored 'General case' 0 C--N 1.382 1.999 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.541 -173.318 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.455 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 26.4 t70 -60.42 126.61 28.13 Favored 'General case' 0 C--N 1.398 2.711 0 N-CA-C 105.36 -2.089 . . . . 0.0 105.36 179.805 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.455 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 40.1 mmtm 72.43 -72.07 0.12 Allowed 'General case' 0 C--N 1.388 2.248 0 C-N-CA 125.716 1.606 . . . . 0.0 109.568 178.896 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.268 30.3 t 78.92 31.08 0.32 Allowed 'General case' 0 CA--C 1.576 1.98 0 C-N-CA 127.322 2.249 . . . . 0.0 109.759 -178.281 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 64.8 t30 60.56 72.86 0.5 Allowed 'General case' 0 C--N 1.394 2.522 0 N-CA-C 106.147 -1.797 . . . . 0.0 106.147 176.174 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.589 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 20.6 mt . . . . . 0 CA--C 1.602 2.967 0 C-N-CA 126.304 1.842 . . . . 0.0 108.489 -179.281 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 1' ' ' ARG . . . . . 0.479 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.9 OUTLIER . . . . . 0 N--CA 1.536 3.841 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 . . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.1 mt -79.29 125.59 38.62 Favored 'Isoleucine or valine' 0 C--N 1.392 2.422 0 CA-C-O 122.682 1.229 . . . . 0.0 108.601 -179.774 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.6 m -142.74 151.11 40.94 Favored 'General case' 0 C--N 1.387 2.21 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 162.672 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -92.4 157.72 16.45 Favored 'General case' 0 C--N 1.387 2.199 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -168.814 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.4 p30 -128.17 22.73 6.1 Favored 'General case' 0 C--N 1.384 2.066 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -177.553 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.22 2.3 m-70 -75.55 -169.99 1.16 Allowed 'General case' 0 C--N 1.39 2.333 0 N-CA-C 115.493 1.664 . . . . 0.0 115.493 -168.98 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.0 mt 72.9 -168.99 0.13 Allowed 'General case' 0 C--N 1.393 2.467 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 171.157 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.22 -51.1 2.77 Favored Glycine 0 C--N 1.384 3.241 0 CA-C-N 114.518 -1.219 . . . . 0.0 110.265 -172.202 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 55.4 m -172.94 -48.96 0.02 OUTLIER 'General case' 0 C--N 1.38 1.908 0 N-CA-C 105.09 -2.189 . . . . 0.0 105.09 -178.824 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -76.84 151.41 82.24 Favored Pre-proline 0 C--N 1.393 2.489 0 C-N-CA 119.489 -0.885 . . . . 0.0 112.095 -178.693 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -61.7 172.44 3.68 Favored 'Trans proline' 0 C--N 1.402 3.366 0 C-N-CA 122.568 2.179 . . . . 0.0 115.392 -179.285 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_exo -52.41 145.76 35.38 Favored 'Trans proline' 0 C--N 1.395 2.995 0 C-N-CA 122.788 2.325 . . . . 0.0 116.54 -179.236 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.0 m -168.55 155.92 7.72 Favored 'General case' 0 C--N 1.387 2.231 0 CA-C-N 113.394 -1.73 . . . . 0.0 106.92 -178.821 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.5 p -143.62 155.63 44.32 Favored 'General case' 0 C--N 1.384 2.086 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -164.383 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -119.24 120.16 36.2 Favored 'General case' 0 C--N 1.386 2.177 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 177.658 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 47.7 m -95.23 90.1 5.74 Favored 'General case' 0 C--N 1.388 2.254 0 N-CA-C 100.954 -3.721 . . . . 0.0 100.954 175.588 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 1' ' ' ARG . 44.5 t -118.49 162.69 17.94 Favored 'General case' 0 C--N 1.386 2.191 0 CA-C-O 122.591 1.186 . . . . 0.0 114.143 -164.365 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -101.42 1.02 37.89 Favored 'General case' 0 C--N 1.376 1.727 0 CA-C-N 113.526 -1.67 . . . . 0.0 112.992 -177.691 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -77.3 115.67 17.27 Favored 'General case' 0 C--N 1.399 2.73 0 N-CA-C 104.781 -2.303 . . . . 0.0 104.781 176.544 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.192 67.4 m-20 -60.85 -12.77 12.0 Favored 'General case' 0 C--N 1.388 2.243 0 C-N-CA 126.515 1.926 . . . . 0.0 115.686 -169.407 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.6 t -127.34 122.12 32.88 Favored 'General case' 0 C--N 1.379 1.849 0 N-CA-C 104.158 -2.534 . . . . 0.0 104.158 177.816 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.387 18.3 p -121.23 146.23 47.02 Favored 'General case' 0 C--N 1.388 2.26 0 CA-C-O 123.117 1.437 . . . . 0.0 111.551 179.581 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -124.48 160.69 27.69 Favored 'General case' 0 C--N 1.386 2.157 0 N-CA-C 116.103 1.89 . . . . 0.0 116.103 -158.062 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.588 ' HZ2' ' C ' ' A' ' 59' ' ' LEU . 68.4 mmtt -107.23 124.88 50.39 Favored 'General case' 0 C--N 1.386 2.193 0 CA-C-N 112.236 -2.256 . . . . 0.0 107.549 175.814 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.513 ' H ' ' HB3' ' A' ' 35' ' ' ARG . 0.4 OUTLIER -119.54 108.31 14.36 Favored 'General case' 0 CA--C 1.572 1.822 0 N-CA-C 101.532 -3.507 . . . . 0.0 101.532 177.32 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -123.84 -31.3 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.398 2.688 0 N-CA-C 117.674 2.472 . . . . 0.0 117.674 -155.819 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.569 ' N ' ' CD1' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -56.94 -106.05 0.0 OUTLIER 'General case' 0 CA--C 1.596 2.725 0 C-N-CA 131.402 3.881 . . . . 0.0 106.715 168.848 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.6 t 71.8 158.61 0.2 Allowed 'General case' 0 C--N 1.393 2.457 0 CA-C-O 123.518 1.628 . . . . 0.0 112.9 177.41 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -67.02 -35.42 79.89 Favored 'General case' 0 C--N 1.386 2.179 0 CA-C-N 114.408 -1.269 . . . . 0.0 111.451 175.488 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . 0.259 16.9 p30 -86.27 9.42 17.81 Favored 'General case' 0 CA--C 1.582 2.187 0 C-N-CA 126.293 1.837 . . . . 0.0 113.0 -178.405 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.7 t30 58.04 65.36 1.31 Allowed 'General case' 0 C--N 1.399 2.72 0 CA-C-N 121.397 1.908 . . . . 0.0 106.049 173.001 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 tp -163.07 158.08 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.396 2.625 0 C-N-CA 115.45 -2.5 . . . . 0.0 114.681 -167.262 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -103.72 89.11 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.386 2.156 0 N-CA-C 104.67 -2.345 . . . . 0.0 104.67 -177.664 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.1 ttp85 -126.66 108.14 10.82 Favored 'General case' 0 C--N 1.382 2.02 0 N-CA-C 103.694 -2.706 . . . . 0.0 103.694 -175.601 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.513 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -152.0 -159.53 1.03 Allowed 'General case' 0 C--N 1.396 2.619 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -157.562 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 169.03 -166.26 39.56 Favored Glycine 0 C--N 1.394 3.76 0 C-N-CA 114.759 -3.591 . . . . 0.0 118.258 -175.228 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.4 p -87.57 126.09 34.73 Favored 'General case' 0 C--N 1.391 2.371 0 CA-C-O 121.749 0.785 . . . . 0.0 109.967 177.522 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.68 -87.61 0.07 OUTLIER Glycine 0 C--N 1.396 3.872 0 N-CA-C 105.491 -3.043 . . . . 0.0 105.491 175.876 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 40' ' ' PHE 2.454 52.8 t 64.95 -163.79 0.25 Allowed 'General case' 0 C--N 1.383 2.038 0 N-CA-C 116.064 1.875 . . . . 0.0 116.064 172.875 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 40' ' ' PHE . . . . . 0.462 ' N ' ' SG ' ' A' ' 39' ' ' CYS 0.264 27.5 m-85 . . . . . 0 C--N 1.38 1.894 0 CA-C-N 112.081 -2.327 . . . . 0.0 109.302 -177.434 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.557 2.665 0 N-CA-C 111.686 -0.565 . . . . 0.0 111.686 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -67.37 163.25 35.32 Favored 'Trans proline' 0 C--N 1.387 2.564 0 N-CA-C 115.163 1.178 . . . . 0.0 115.163 176.149 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . 0.287 11.3 p90 -90.14 136.43 33.06 Favored 'General case' 0 C--N 1.385 2.114 0 N-CA-C 106.711 -1.588 . . . . 0.0 106.711 176.6 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 4.0 m -115.37 164.23 14.56 Favored 'General case' 0 C--N 1.389 2.307 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 -164.214 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.9 t -141.73 159.02 43.09 Favored 'General case' 0 C--N 1.38 1.929 0 CA-C-N 113.877 -1.51 . . . . 0.0 110.344 -174.869 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -124.75 64.14 1.12 Allowed 'General case' 0 C--N 1.383 2.022 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 177.866 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.4 m -160.5 170.75 20.29 Favored 'General case' 0 C--N 1.387 2.224 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.935 177.606 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.538 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 26.2 t0 -78.95 108.4 12.39 Favored 'General case' 0 CA--C 1.587 2.387 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 -178.783 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.538 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.307 8.8 mptt 78.98 -55.64 0.45 Allowed 'General case' 0 C--N 1.396 2.611 0 C-N-CA 127.98 2.512 . . . . 0.0 114.554 176.473 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 38.4 m 67.33 45.3 1.65 Allowed 'General case' 0 CA--C 1.587 2.372 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -177.325 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.6 t30 70.51 79.24 0.18 Allowed 'General case' 0 C--N 1.394 2.504 0 N-CA-C 105.907 -1.886 . . . . 0.0 105.907 -179.916 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.588 ' C ' ' HZ2' ' A' ' 24' ' ' LYS . 1.6 mm? . . . . . 0 CA--C 1.597 2.76 0 C-N-CA 126.813 2.045 . . . . 0.0 110.152 175.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.511 HH12 ' CG ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 1 N--CA 1.541 4.084 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 73.1 mt -121.78 127.78 75.56 Favored 'Isoleucine or valine' 0 C--N 1.383 2.064 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.9 m -144.0 134.55 24.81 Favored 'General case' 0 C--N 1.383 2.05 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -78.81 154.23 30.05 Favored 'General case' 0 C--N 1.386 2.193 0 O-C-N 120.161 -1.587 . . . . 0.0 111.546 -169.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -139.69 59.78 1.58 Allowed 'General case' 0 C--N 1.386 2.188 0 N-CA-C 103.936 -2.616 . . . . 0.0 103.936 172.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.199 18.2 m170 -102.63 -166.35 1.27 Allowed 'General case' 0 C--N 1.385 2.145 0 C-N-CA 128.002 2.521 . . . . 0.0 112.714 -178.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.525 ' H ' ' HA ' ' A' ' 11' ' ' PRO 0.37 84.9 mt 68.39 -174.89 0.19 Allowed 'General case' 0 C--N 1.384 2.075 0 N-CA-C 114.494 1.294 . . . . 0.0 114.494 171.41 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.31 -40.26 2.98 Favored Glycine 0 C--N 1.389 3.512 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.099 -166.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.9 m -179.88 -42.58 0.01 OUTLIER 'General case' 0 C--N 1.384 2.087 0 C-N-CA 126.519 1.928 . . . . 0.0 106.065 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -103.3 100.85 19.43 Favored Pre-proline 0 CA--C 1.583 2.216 0 C-N-CA 124.985 1.314 . . . . 0.0 107.934 -171.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.525 ' HA ' ' H ' ' A' ' 7' ' ' LEU 0.293 38.1 Cg_endo -91.83 6.17 3.53 Favored 'Trans proline' 0 C--N 1.409 3.749 0 N-CA-C 120.956 3.406 . . . . 0.0 120.956 -175.528 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -82.8 -22.41 4.39 Favored 'Trans proline' 0 C--N 1.404 3.486 1 N-CA-C 124.145 4.633 . . . . 0.0 124.145 -176.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.0 p -85.86 146.33 26.79 Favored 'General case' 0 C--N 1.396 2.627 0 CA-C-N 124.331 3.241 . . . . 0.0 114.891 -173.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 70.4 p -135.08 138.22 43.62 Favored 'General case' 0 C--N 1.381 1.948 0 CA-C-N 113.162 -1.836 . . . . 0.0 108.042 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -96.4 101.37 12.99 Favored 'General case' 0 C--N 1.38 1.906 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 -173.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 60.2 m -82.6 85.79 6.93 Favored 'General case' 0 C--N 1.385 2.122 0 N-CA-C 100.248 -3.982 . . . . 0.0 100.248 173.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.6 t -117.22 156.81 27.09 Favored 'General case' 0 C--N 1.389 2.285 0 CA-C-O 123.632 1.682 . . . . 0.0 113.79 -162.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -97.23 5.28 50.33 Favored 'General case' 0 C--N 1.378 1.841 0 CA-C-N 112.862 -1.972 . . . . 0.0 114.47 -172.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -80.56 146.07 31.45 Favored 'General case' 0 C--N 1.391 2.396 0 CA-C-N 122.124 2.238 . . . . 0.0 110.922 -177.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.511 ' CG ' HH12 ' A' ' 1' ' ' ARG 2.047 1.6 m-20 -57.96 -3.94 0.27 Allowed 'General case' 0 C--N 1.39 2.338 0 C-N-CA 130.398 3.479 . . . . 0.0 113.273 176.835 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.4 t -161.58 146.22 13.18 Favored 'General case' 0 C--N 1.383 2.057 0 O-C-N 120.418 -1.426 . . . . 0.0 108.792 -177.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.2 p -138.9 156.4 47.31 Favored 'General case' 0 C--N 1.389 2.298 0 CA-C-O 122.969 1.366 . . . . 0.0 111.511 170.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -119.83 149.13 42.57 Favored 'General case' 0 C--N 1.375 1.682 0 CA-C-N 113.423 -1.717 . . . . 0.0 113.558 -170.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -111.88 109.93 19.99 Favored 'General case' 0 C--N 1.386 2.18 0 N-CA-C 103.916 -2.624 . . . . 0.0 103.916 176.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.588 ' HA ' ' HE1' ' A' ' 27' ' ' TRP . 1.2 t30 -115.27 116.83 28.97 Favored 'General case' 0 CA--C 1.584 2.266 0 N-CA-C 103.718 -2.697 . . . . 0.0 103.718 -176.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -120.69 7.33 6.24 Favored 'Isoleucine or valine' 0 C--N 1.391 2.373 0 N-CA-C 115.945 1.831 . . . . 0.0 115.945 -165.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.588 ' HE1' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -117.86 -83.69 0.64 Allowed 'General case' 0 CA--C 1.574 1.878 0 C-N-CA 131.557 3.943 . . . . 0.0 105.051 -167.284 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.282 14.4 t 73.74 -81.31 0.03 OUTLIER 'General case' 0 C--N 1.386 2.181 0 C-N-CA 127.58 2.352 . . . . 0.0 108.084 179.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -179.7 -55.72 0.01 OUTLIER 'General case' 0 C--N 1.386 2.171 0 N-CA-C 105.164 -2.161 . . . . 0.0 105.164 -174.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -69.27 9.24 0.46 Allowed 'General case' 0 CA--C 1.578 2.042 0 C-N-CA 130.587 3.555 . . . . 0.0 112.342 174.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 59.51 66.34 1.03 Allowed 'General case' 0 C--N 1.391 2.408 0 C-N-CA 126.471 1.908 . . . . 0.0 106.084 175.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 tp -149.66 164.77 3.6 Favored 'Isoleucine or valine' 0 C--N 1.392 2.426 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 -171.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.9 mp -104.53 95.61 3.95 Favored 'Isoleucine or valine' 0 C--N 1.386 2.184 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 -178.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.84 118.6 11.71 Favored 'General case' 0 C--N 1.385 2.115 0 N-CA-C 104.619 -2.363 . . . . 0.0 104.619 -175.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -152.57 -171.02 3.8 Favored 'General case' 0 C--N 1.39 2.345 0 C-N-CA 118.834 -1.147 . . . . 0.0 113.654 -158.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -179.71 176.19 47.39 Favored Glycine 0 C--N 1.394 3.801 1 C-N-CA 113.521 -4.18 . . . . 0.0 118.953 -173.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.0 p -82.82 101.68 11.12 Favored 'General case' 0 C--N 1.389 2.3 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 177.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.52 -117.99 0.45 Allowed Glycine 0 C--N 1.396 3.869 0 N-CA-C 107.221 -2.351 . . . . 0.0 107.221 177.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.398 14.2 t 83.01 -126.27 0.01 OUTLIER 'General case' 0 C--N 1.385 2.151 0 O-C-N 121.418 -1.048 . . . . 0.0 110.736 173.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 67.53 32.17 5.8 Favored 'General case' 0 C--N 1.387 2.234 0 O-C-N 121.256 -0.902 . . . . 0.0 110.773 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.9 t -120.04 110.22 36.63 Favored Pre-proline 0 C--N 1.38 1.898 0 N-CA-C 101.974 -3.343 . . . . 0.0 101.974 174.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -47.43 114.16 0.95 Allowed 'Trans proline' 0 C--N 1.395 3.025 0 N-CA-C 105.815 -2.417 . . . . 0.0 105.815 175.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.6 tpt85 -86.4 74.05 10.03 Favored 'General case' 0 C--N 1.398 2.685 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 -176.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -102.85 59.24 0.54 Allowed Glycine 0 C--N 1.389 3.509 0 N-CA-C 106.403 -2.679 . . . . 0.0 106.403 171.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.474 0.3 OUTLIER 44.19 49.06 7.75 Favored 'General case' 0 C--N 1.383 2.052 0 C-N-CA 127.396 2.278 . . . . 0.0 108.407 -168.608 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.1 mtt -97.43 161.83 24.64 Favored Pre-proline 0 C--N 1.386 2.155 0 CA-C-N 113.533 -1.667 . . . . 0.0 109.164 170.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -54.61 125.89 20.52 Favored 'Trans proline' 0 C--N 1.389 2.706 0 CA-C-O 123.488 1.37 . . . . 0.0 108.926 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 138.68 167.05 10.84 Favored Glycine 0 C--N 1.391 3.61 0 CA-C-N 114.586 -1.188 . . . . 0.0 113.644 -179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -79.32 170.13 17.89 Favored 'Trans proline' 0 C--N 1.383 2.391 0 C-N-CA 123.83 3.02 . . . . 0.0 110.527 173.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . 0.276 0.4 OUTLIER -72.58 129.73 38.95 Favored 'General case' 0 C--N 1.396 2.59 0 C-N-CA 116.051 -2.26 . . . . 0.0 105.701 178.342 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.4 m -123.35 127.82 49.03 Favored 'General case' 0 C--N 1.391 2.402 0 CA-C-O 122.858 1.313 . . . . 0.0 108.894 -172.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 45.5 t -123.93 173.52 8.16 Favored 'General case' 0 C--N 1.382 2.02 0 C-N-CA 126.168 1.787 . . . . 0.0 113.183 -173.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -131.12 56.28 1.81 Allowed 'General case' 0 C--N 1.385 2.12 0 CA-C-O 122.103 0.954 . . . . 0.0 109.582 -178.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.0 t -150.29 155.57 39.92 Favored 'General case' 0 C--N 1.383 2.035 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.36 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.575 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 17.0 t70 -64.54 129.17 38.85 Favored 'General case' 0 C--N 1.388 2.253 0 N-CA-C 107.435 -1.32 . . . . 0.0 107.435 177.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.575 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.256 36.9 mmtm 72.21 -68.0 0.24 Allowed 'General case' 0 C--N 1.394 2.536 0 C-N-CA 128.087 2.555 . . . . 0.0 107.944 -175.588 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.295 42.4 t 62.11 65.83 0.86 Allowed 'General case' 0 C--N 1.378 1.842 0 C-N-CA 127.155 2.182 . . . . 0.0 106.319 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.4 t30 77.12 60.28 0.04 OUTLIER 'General case' 0 C--N 1.389 2.303 0 C-N-CA 126.144 1.778 . . . . 0.0 111.094 168.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . 0.268 19.3 tp . . . . . 0 CA--C 1.581 2.164 0 C-N-CA 129.061 2.944 . . . . 0.0 107.407 174.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.48 HH11 ' HG2' ' A' ' 1' ' ' ARG . 0.5 OUTLIER . . . . . 0 N--CA 1.531 3.592 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -92.25 132.03 37.7 Favored 'Isoleucine or valine' 0 C--N 1.389 2.287 0 CA-C-O 122.407 1.099 . . . . 0.0 109.434 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 83.0 m -143.86 151.41 39.84 Favored 'General case' 0 C--N 1.386 2.169 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 163.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.5 m-30 -92.82 166.22 12.53 Favored 'General case' 0 C--N 1.387 2.217 0 C-N-CA 118.048 -1.461 . . . . 0.0 112.893 -171.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -142.06 52.28 1.48 Allowed 'General case' 0 C--N 1.38 1.925 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 171.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.176 8.8 m170 -81.78 -160.91 0.39 Allowed 'General case' 0 C--N 1.386 2.176 0 C-N-CA 126.616 1.967 . . . . 0.0 110.967 173.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.277 63.0 mt 64.66 -164.74 0.24 Allowed 'General case' 0 C--N 1.385 2.117 0 CA-C-O 123.123 1.44 . . . . 0.0 113.015 170.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.37 -55.36 4.51 Favored Glycine 0 C--N 1.384 3.244 0 N-CA-C 107.593 -2.203 . . . . 0.0 107.593 -166.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.0 m -168.98 -43.79 0.02 OUTLIER 'General case' 0 C--N 1.381 1.978 0 N-CA-C 107.378 -1.341 . . . . 0.0 107.378 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 66.2 mmtt -86.9 156.15 55.34 Favored Pre-proline 0 C--N 1.388 2.25 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 -168.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -55.05 161.98 5.93 Favored 'Trans proline' 0 C--N 1.402 3.377 0 C-N-CA 123.626 2.884 . . . . 0.0 117.653 -178.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -50.01 136.25 36.87 Favored 'Trans proline' 0 C--N 1.396 3.043 0 C-N-CA 123.981 3.121 . . . . 0.0 116.21 -177.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.31 47.0 p -160.41 137.94 9.52 Favored 'General case' 0 C--N 1.392 2.455 0 N-CA-C 104.713 -2.329 . . . . 0.0 104.713 177.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.8 p -125.92 157.66 37.14 Favored 'General case' 0 C--N 1.388 2.262 0 N-CA-C 114.914 1.449 . . . . 0.0 114.914 -163.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -117.39 94.47 4.57 Favored 'General case' 0 C--N 1.39 2.368 0 N-CA-C 106.884 -1.525 . . . . 0.0 106.884 -174.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 87.6 m -77.1 107.04 9.18 Favored 'General case' 0 C--N 1.389 2.312 0 N-CA-C 102.346 -3.205 . . . . 0.0 102.346 172.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.5 t -118.44 152.98 34.87 Favored 'General case' 0 C--N 1.393 2.492 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -168.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -96.82 -21.12 17.71 Favored 'General case' 0 C--N 1.387 2.208 0 CA-C-N 114.664 -1.153 . . . . 0.0 112.909 177.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -64.34 125.57 25.04 Favored 'General case' 0 C--N 1.395 2.579 0 N-CA-C 103.655 -2.72 . . . . 0.0 103.655 173.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.15 40.5 m-20 -64.38 9.9 0.07 Allowed 'General case' 0 C--N 1.39 2.343 0 C-N-CA 127.227 2.211 . . . . 0.0 114.844 -169.437 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.9 t -153.62 143.6 22.04 Favored 'General case' 0 C--N 1.386 2.161 0 CA-C-N 120.482 1.492 . . . . 0.0 107.999 -178.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.9 p -146.61 165.12 30.47 Favored 'General case' 0 C--N 1.381 1.956 0 CA-C-N 114.905 -1.043 . . . . 0.0 112.012 176.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 51.5 p90 -147.15 161.82 40.11 Favored 'General case' 0 C--N 1.388 2.275 0 N-CA-C 116.388 1.995 . . . . 0.0 116.388 -161.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.8 mmtt -107.15 118.83 37.75 Favored 'General case' 0 C--N 1.385 2.115 0 CA-C-N 111.312 -2.676 . . . . 0.0 106.732 -177.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.595 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 1.6 t30 -119.29 128.88 54.55 Favored 'General case' 0 CA--C 1.583 2.225 0 N-CA-C 103.898 -2.63 . . . . 0.0 103.898 -175.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.38 -40.71 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.402 2.876 0 N-CA-C 116.532 2.049 . . . . 0.0 116.532 -149.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.595 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -52.07 -93.73 0.0 OUTLIER 'General case' 0 CA--C 1.578 2.045 0 C-N-CA 130.934 3.693 . . . . 0.0 107.508 169.069 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.8 t 78.8 -19.49 0.44 Allowed 'General case' 0 C--N 1.389 2.321 0 C-N-CA 125.029 1.332 . . . . 0.0 112.69 172.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . 0.316 62.1 m-85 84.72 -51.54 0.1 Allowed 'General case' 0 C--N 1.39 2.327 0 C-N-CA 126.476 1.91 . . . . 0.0 107.912 -174.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -68.8 -11.29 60.24 Favored 'General case' 0 CA--C 1.577 1.982 0 CA-C-O 117.009 -1.472 . . . . 0.0 110.899 172.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 70.43 76.17 0.2 Allowed 'General case' 0 C--N 1.396 2.606 0 CA-C-N 122.435 2.379 . . . . 0.0 106.915 174.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 tp -162.01 164.54 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.392 2.438 0 C-N-CA 117.433 -1.707 . . . . 0.0 113.354 -176.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 50.0 mm -91.07 87.99 2.74 Favored 'Isoleucine or valine' 0 C--N 1.384 2.079 0 N-CA-C 104.23 -2.507 . . . . 0.0 104.23 177.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.01 131.57 23.92 Favored 'General case' 0 C--N 1.386 2.165 0 N-CA-C 104.137 -2.542 . . . . 0.0 104.137 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.503 HH11 ' HG2' ' A' ' 35' ' ' ARG . 1.1 ptt-85 -171.46 -162.12 0.22 Allowed 'General case' 0 C--N 1.407 3.073 0 C-N-CA 116.29 -2.164 . . . . 0.0 113.302 -142.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -172.69 179.74 43.99 Favored Glycine 1 C--N 1.399 4.067 1 C-N-CA 113.532 -4.175 . . . . 0.0 120.979 -173.835 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 44.1 t -96.65 108.96 21.67 Favored 'General case' 0 C--N 1.388 2.25 0 CA-C-N 113.369 -1.416 . . . . 0.0 107.621 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.95 -78.35 0.04 OUTLIER Glycine 0 C--N 1.395 3.83 0 N-CA-C 105.91 -2.876 . . . . 0.0 105.91 176.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.36 46.1 t 69.7 -156.89 0.15 Allowed 'General case' 0 C--N 1.39 2.328 0 CA-C-O 123.037 1.398 . . . . 0.0 113.299 176.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 51.78 42.69 30.13 Favored 'General case' 0 C--N 1.381 1.944 0 CA-C-N 113.335 -1.757 . . . . 0.0 108.977 177.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 65.1 p -97.04 122.39 56.52 Favored Pre-proline 0 C--N 1.387 2.215 0 N-CA-C 105.305 -2.109 . . . . 0.0 105.305 177.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_exo -76.03 97.64 1.13 Allowed 'Trans proline' 0 C--N 1.396 3.034 0 N-CA-C 104.523 -2.914 . . . . 0.0 104.523 176.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 39.1 ttt-85 -86.4 108.87 18.67 Favored 'General case' 0 C--N 1.393 2.462 0 CA-C-O 122.928 1.346 . . . . 0.0 107.415 -177.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -144.98 -100.54 0.3 Allowed Glycine 0 C--N 1.385 3.275 0 N-CA-C 104.561 -3.416 . . . . 0.0 104.561 173.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.3 p30 -106.44 43.24 1.16 Allowed 'General case' 0 CA--C 1.569 1.709 0 C-N-CA 126.583 1.953 . . . . 0.0 107.551 175.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.9 ttt -149.88 112.67 3.37 Favored Pre-proline 0 C--N 1.385 2.112 0 N-CA-C 102.898 -3.001 . . . . 0.0 102.898 178.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -69.15 153.51 71.61 Favored 'Trans proline' 0 C--N 1.4 3.259 0 N-CA-C 116.714 1.775 . . . . 0.0 116.714 -172.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -169.2 169.17 41.76 Favored Glycine 0 C--N 1.391 3.629 0 CA-C-N 114.529 -1.214 . . . . 0.0 112.368 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -70.89 -171.46 0.57 Allowed 'Trans proline' 0 C--N 1.392 2.868 0 C-N-CA 124.04 3.16 . . . . 0.0 110.501 172.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -109.19 131.18 55.31 Favored 'General case' 0 C--N 1.388 2.263 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 177.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.4 m -118.72 170.39 9.03 Favored 'General case' 0 C--N 1.396 2.599 0 N-CA-C 117.81 2.522 . . . . 0.0 117.81 -167.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.4 t -140.48 160.71 39.4 Favored 'General case' 0 C--N 1.382 1.99 0 CA-C-N 112.329 -2.214 . . . . 0.0 110.375 176.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -135.45 54.04 1.94 Allowed 'General case' 0 C--N 1.384 2.082 0 N-CA-C 106.614 -1.624 . . . . 0.0 106.614 170.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.7 t -152.58 157.38 40.94 Favored 'General case' 0 C--N 1.381 1.956 0 C-N-CA 127.064 2.145 . . . . 0.0 107.35 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.536 ' CG ' ' NZ ' ' A' ' 56' ' ' LYS . 24.7 p-10 -74.89 141.5 44.16 Favored 'General case' 0 C--N 1.393 2.474 0 C-N-CA 116.21 -2.196 . . . . 0.0 110.21 -177.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.536 ' NZ ' ' CG ' ' A' ' 55' ' ' ASP 0.296 3.0 mppt? 75.87 -89.54 0.02 OUTLIER 'General case' 0 C--N 1.388 2.277 0 C-N-CA 125.535 1.534 . . . . 0.0 109.88 177.442 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 11.4 m 79.71 -41.34 0.23 Allowed 'General case' 0 C--N 1.385 2.137 0 C-N-CA 127.685 2.394 . . . . 0.0 112.691 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -172.52 72.52 0.04 OUTLIER 'General case' 0 C--N 1.388 2.277 0 N-CA-C 101.782 -3.414 . . . . 0.0 101.782 -178.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . 0.255 7.4 mp . . . . . 0 CA--C 1.594 2.652 0 N-CA-C 105.579 -2.008 . . . . 0.0 105.579 -171.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.486 HH21 ' CG ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.539 3.989 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 54.9 mt -90.63 123.8 42.95 Favored 'Isoleucine or valine' 0 C--N 1.391 2.41 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.4 m -137.36 147.4 45.49 Favored 'General case' 0 C--N 1.388 2.278 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 173.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -85.32 167.67 15.38 Favored 'General case' 0 C--N 1.388 2.242 0 N-CA-C 115.085 1.513 . . . . 0.0 115.085 -164.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -146.36 54.32 1.13 Allowed 'General case' 0 C--N 1.387 2.231 0 N-CA-C 104.798 -2.297 . . . . 0.0 104.798 177.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.166 4.2 m170 -83.77 -175.4 5.79 Favored 'General case' 0 C--N 1.383 2.046 0 C-N-CA 124.817 1.247 . . . . 0.0 112.595 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.319 79.5 mt 72.84 -171.83 0.14 Allowed 'General case' 0 C--N 1.381 1.939 0 N-CA-C 115.475 1.657 . . . . 0.0 115.475 170.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.412 ' H ' HG12 ' A' ' 32' ' ' ILE . . . 98.43 -44.17 1.8 Allowed Glycine 0 C--N 1.385 3.252 0 N-CA-C 108.234 -1.946 . . . . 0.0 108.234 -164.29 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.8 m 173.41 -45.36 0.01 OUTLIER 'General case' 0 C--N 1.39 2.357 0 C-N-CA 127.121 2.168 . . . . 0.0 105.451 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt -90.5 151.07 43.79 Favored Pre-proline 0 CA--C 1.585 2.325 0 C-N-CA 125.756 1.622 . . . . 0.0 112.969 -177.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -117.92 6.08 0.03 OUTLIER 'Trans proline' 1 C--N 1.423 4.472 0 N-CA-C 118.931 2.627 . . . . 0.0 118.931 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -73.26 -11.19 24.81 Favored 'Trans proline' 0 C--N 1.404 3.462 1 N-CA-C 127.399 5.884 . . . . 0.0 127.399 -176.055 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.8 p -116.8 161.47 19.22 Favored 'General case' 0 C--N 1.394 2.504 1 CA-C-N 126.873 4.397 . . . . 0.0 119.141 -172.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.1 p -144.65 155.72 43.75 Favored 'General case' 0 C--N 1.383 2.037 0 CA-C-N 111.393 -2.639 . . . . 0.0 110.379 -174.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -106.78 93.11 4.39 Favored 'General case' 0 C--N 1.382 2.005 0 N-CA-C 105.416 -2.068 . . . . 0.0 105.416 -178.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.8 m -68.57 120.66 14.96 Favored 'General case' 0 C--N 1.398 2.704 0 N-CA-C 103.501 -2.777 . . . . 0.0 103.501 170.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -133.21 141.8 48.25 Favored 'General case' 0 C--N 1.391 2.408 0 CA-C-O 123.052 1.406 . . . . 0.0 111.186 -170.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -97.2 -16.76 20.25 Favored 'General case' 0 C--N 1.38 1.922 0 CA-C-N 113.588 -1.642 . . . . 0.0 109.164 169.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -72.06 124.36 24.78 Favored 'General case' 0 C--N 1.401 2.833 0 N-CA-C 104.721 -2.326 . . . . 0.0 104.721 174.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.486 ' CG ' HH21 ' A' ' 1' ' ' ARG 2.129 54.4 m-20 -64.56 12.65 0.04 OUTLIER 'General case' 0 CA--C 1.582 2.2 0 C-N-CA 128.461 2.704 . . . . 0.0 116.432 -170.693 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.7 m -149.11 144.37 26.61 Favored 'General case' 0 C--N 1.386 2.185 0 CA-C-N 122.124 2.238 . . . . 0.0 108.646 -178.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.4 p -136.67 152.61 50.59 Favored 'General case' 0 C--N 1.383 2.057 0 CA-C-O 122.458 1.123 . . . . 0.0 111.596 176.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 43.5 p90 -122.92 155.56 36.48 Favored 'General case' 0 C--N 1.38 1.931 0 CA-C-O 122.847 1.308 . . . . 0.0 114.344 -167.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.427 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 22.8 mmtt -114.18 122.39 46.65 Favored 'General case' 0 C--N 1.384 2.101 0 CA-C-N 112.539 -2.119 . . . . 0.0 106.881 -175.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.505 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 0.4 OUTLIER -127.1 122.23 33.68 Favored 'General case' 0 CA--C 1.582 2.175 0 N-CA-C 104.26 -2.496 . . . . 0.0 104.26 -174.508 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.17 -14.13 2.06 Favored 'Isoleucine or valine' 0 C--N 1.401 2.843 0 N-CA-C 117.59 2.441 . . . . 0.0 117.59 -153.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.548 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -87.66 -106.69 0.07 Allowed 'General case' 0 CA--C 1.591 2.526 1 C-N-CA 134.524 5.13 . . . . 0.0 107.813 -177.333 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.4 t 81.38 151.72 0.1 Allowed 'General case' 0 C--N 1.396 2.63 0 C-N-CA 125.528 1.531 . . . . 0.0 114.635 172.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 15.6 t80 -56.11 -49.81 72.84 Favored 'General case' 0 C--N 1.396 2.617 0 C-N-CA 125.048 1.339 . . . . 0.0 108.971 176.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 45.5 p30 -73.48 -6.44 46.45 Favored 'General case' 0 CA--C 1.58 2.11 0 C-N-CA 125.511 1.524 . . . . 0.0 113.49 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.2 t30 64.08 81.76 0.2 Allowed 'General case' 0 C--N 1.392 2.446 0 C-N-CA 127.112 2.165 . . . . 0.0 106.333 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.412 HG12 ' H ' ' A' ' 8' ' ' GLY . 1.0 OUTLIER -164.67 168.4 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.392 2.418 0 C-N-CA 118.799 -1.16 . . . . 0.0 113.215 -177.776 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -103.95 103.41 15.16 Favored 'Isoleucine or valine' 0 C--N 1.387 2.202 0 N-CA-C 104.572 -2.381 . . . . 0.0 104.572 175.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.473 HH11 ' HG2' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -146.9 121.41 9.72 Favored 'General case' 0 C--N 1.385 2.133 0 N-CA-C 104.252 -2.499 . . . . 0.0 104.252 -175.265 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.33 -171.18 3.61 Favored 'General case' 0 C--N 1.397 2.653 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 -158.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -165.59 -163.21 18.5 Favored Glycine 1 C--N 1.399 4.057 0 C-N-CA 115.006 -3.473 . . . . 0.0 118.909 -167.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 40.4 t -115.38 115.61 26.87 Favored 'General case' 0 C--N 1.392 2.454 0 CA-C-O 122.143 0.973 . . . . 0.0 109.302 -176.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.52 -95.25 0.1 Allowed Glycine 0 C--N 1.392 3.676 0 N-CA-C 103.82 -3.712 . . . . 0.0 103.82 176.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.414 9.1 t 74.17 -155.08 0.06 Allowed 'General case' 0 C--N 1.388 2.243 0 N-CA-C 114.171 1.174 . . . . 0.0 114.171 173.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 63.13 39.76 9.58 Favored 'General case' 0 C--N 1.384 2.07 0 CA-C-N 114.405 -1.27 . . . . 0.0 108.428 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 50.3 p -75.41 125.8 88.39 Favored Pre-proline 0 C--N 1.393 2.458 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 -178.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -66.82 148.49 82.58 Favored 'Trans proline' 0 C--N 1.395 3.007 0 CA-C-O 122.008 0.753 . . . . 0.0 111.043 -178.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 40.3 tpt85 -89.42 71.57 8.05 Favored 'General case' 0 C--N 1.389 2.314 0 CA-C-O 121.626 0.727 . . . . 0.0 110.284 -175.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -121.31 50.74 0.82 Allowed Glycine 0 C--N 1.389 3.486 0 N-CA-C 109.553 -1.419 . . . . 0.0 109.553 170.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 58.68 51.88 7.33 Favored 'General case' 0 C--N 1.384 2.099 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 175.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 34.8 ttm -126.7 103.22 24.76 Favored Pre-proline 0 C--N 1.391 2.399 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 -174.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -84.36 120.12 2.46 Favored 'Trans proline' 0 C--N 1.402 3.381 0 N-CA-C 109.578 -0.97 . . . . 0.0 109.578 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.5 94.58 0.37 Allowed Glycine 0 C--N 1.391 3.633 0 CA-C-O 115.699 -2.723 . . . . 0.0 106.496 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo 47.13 -152.53 0.0 OUTLIER 'Trans proline' 1 C--N 1.449 5.842 0 C-N-CA 114.671 -3.086 . . . . 0.0 109.815 -171.118 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . 0.279 49.4 p90 -149.28 135.69 19.29 Favored 'General case' 0 C--N 1.373 1.618 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 174.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 16.1 m -120.9 152.53 38.35 Favored 'General case' 0 C--N 1.392 2.444 0 N-CA-C 115.799 1.777 . . . . 0.0 115.799 -161.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 16.8 t -133.59 176.56 8.43 Favored 'General case' 0 C--N 1.378 1.838 0 CA-C-N 112.507 -2.133 . . . . 0.0 111.195 178.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -146.62 37.36 0.99 Allowed 'General case' 0 C--N 1.385 2.126 0 C-N-CA 119.639 -0.825 . . . . 0.0 112.194 -174.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.9 m -123.99 172.42 8.97 Favored 'General case' 0 C--N 1.379 1.881 0 C-N-CA 125.237 1.415 . . . . 0.0 111.349 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.467 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 27.8 t0 -71.6 113.03 8.2 Favored 'General case' 0 C--N 1.388 2.243 0 N-CA-C 105.692 -1.966 . . . . 0.0 105.692 -177.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.467 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.302 4.0 mptt 76.53 -59.92 0.49 Allowed 'General case' 0 C--N 1.396 2.601 0 C-N-CA 126.991 2.116 . . . . 0.0 109.974 -178.323 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 52.2 t 57.77 61.01 2.55 Favored 'General case' 0 C--N 1.378 1.808 0 N-CA-C 106.244 -1.762 . . . . 0.0 106.244 178.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 68.5 75.87 0.26 Allowed 'General case' 0 C--N 1.386 2.178 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 173.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.427 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 23.4 mt . . . . . 0 CA--C 1.603 2.999 0 C-N-CA 127.499 2.32 . . . . 0.0 110.758 176.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.562 HH11 ' HG2' ' A' ' 1' ' ' ARG . 0.2 OUTLIER . . . . . 1 N--CA 1.541 4.111 0 N-CA-C 107.086 -1.45 . . . . 0.0 107.086 . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 81.0 mt -137.64 139.37 43.27 Favored 'Isoleucine or valine' 0 C--N 1.386 2.186 0 CA-C-N 119.46 1.027 . . . . 0.0 109.464 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 m -140.69 153.84 46.12 Favored 'General case' 0 C--N 1.388 2.25 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 175.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -104.95 147.46 27.76 Favored 'General case' 0 C--N 1.393 2.493 0 O-C-N 120.669 -1.269 . . . . 0.0 113.724 -167.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -130.74 58.21 1.7 Allowed 'General case' 0 C--N 1.392 2.422 0 N-CA-C 105.808 -1.923 . . . . 0.0 105.808 178.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.183 10.9 m170 -101.07 -150.1 0.39 Allowed 'General case' 0 C--N 1.381 1.948 0 C-N-CA 127.592 2.357 . . . . 0.0 111.869 -178.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.489 ' H ' ' HA ' ' A' ' 11' ' ' PRO 0.27 31.3 mt 57.6 -167.45 0.13 Allowed 'General case' 0 C--N 1.385 2.13 0 CA-C-O 122.379 1.085 . . . . 0.0 111.772 176.81 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.02 -53.69 4.51 Favored Glycine 0 C--N 1.383 3.173 0 N-CA-C 109.695 -1.362 . . . . 0.0 109.695 -173.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 72.5 m -163.54 -49.86 0.03 OUTLIER 'General case' 0 C--N 1.38 1.908 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -102.72 118.13 59.15 Favored Pre-proline 0 CA--C 1.584 2.259 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 -176.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.489 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 34.4 Cg_endo -89.62 -6.42 5.09 Favored 'Trans proline' 0 C--N 1.41 3.806 0 N-CA-C 120.543 3.247 . . . . 0.0 120.543 -177.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_exo -81.16 -15.28 10.36 Favored 'Trans proline' 0 C--N 1.397 3.112 1 N-CA-C 125.307 5.08 . . . . 0.0 125.307 -174.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.8 p -92.84 155.99 17.27 Favored 'General case' 0 C--N 1.393 2.472 0 CA-C-N 124.815 3.461 . . . . 0.0 116.541 -172.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 41.8 p -139.62 161.31 37.82 Favored 'General case' 0 C--N 1.385 2.122 0 CA-C-N 111.811 -2.45 . . . . 0.0 112.282 -166.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -127.58 112.82 15.32 Favored 'General case' 0 C--N 1.385 2.148 0 CA-C-O 123.227 1.489 . . . . 0.0 108.288 -174.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 91.5 m -73.38 124.11 25.12 Favored 'General case' 0 C--N 1.387 2.212 0 N-CA-C 105.237 -2.134 . . . . 0.0 105.237 175.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.7 t -125.89 143.38 51.1 Favored 'General case' 0 C--N 1.39 2.352 0 CA-C-O 122.82 1.295 . . . . 0.0 112.126 -173.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 -151.72 49.48 0.8 Allowed 'General case' 0 C--N 1.381 1.952 0 N-CA-C 103.851 -2.648 . . . . 0.0 103.851 165.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -98.21 8.85 44.21 Favored 'General case' 0 C--N 1.396 2.598 0 CA-C-O 121.81 0.814 . . . . 0.0 112.439 176.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.343 0.8 OUTLIER 100.34 -24.99 0.02 OUTLIER 'General case' 0 CA--C 1.577 2.006 0 C-N-CA 129.387 3.075 . . . . 0.0 111.831 178.869 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.3 t -160.02 157.14 28.19 Favored 'General case' 0 C--N 1.391 2.387 0 CA-C-O 122.203 1.001 . . . . 0.0 112.55 -170.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.8 p -139.5 159.33 42.4 Favored 'General case' 0 C--N 1.39 2.337 0 CA-C-O 122.067 0.936 . . . . 0.0 111.963 167.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 43.6 p90 -126.18 154.89 42.61 Favored 'General case' 0 C--N 1.381 1.946 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -167.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.556 ' HZ3' ' C ' ' A' ' 59' ' ' LEU . 13.7 mmtt -111.15 113.46 25.99 Favored 'General case' 0 C--N 1.385 2.144 0 N-CA-C 105.864 -1.902 . . . . 0.0 105.864 -178.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.512 ' H ' ' HB3' ' A' ' 35' ' ' ARG . 2.1 t30 -116.82 113.74 22.95 Favored 'General case' 0 CA--C 1.577 2.002 0 N-CA-C 102.981 -2.97 . . . . 0.0 102.981 -178.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.83 -14.74 4.81 Favored 'Isoleucine or valine' 0 C--N 1.392 2.443 0 N-CA-C 115.789 1.774 . . . . 0.0 115.789 -152.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -88.98 -102.35 0.09 Allowed 'General case' 0 CA--C 1.579 2.076 1 C-N-CA 134.508 5.123 . . . . 0.0 107.797 179.265 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.2 t 72.12 168.82 0.32 Allowed 'General case' 0 C--N 1.393 2.469 0 O-C-N 120.704 -1.247 . . . . 0.0 110.948 -174.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -62.71 -46.92 85.88 Favored 'General case' 0 C--N 1.391 2.401 0 O-C-N 121.634 -0.666 . . . . 0.0 109.688 175.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -74.44 -2.9 27.57 Favored 'General case' 0 CA--C 1.576 1.98 0 C-N-CA 129.187 2.995 . . . . 0.0 113.951 -175.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 70.9 m-80 62.81 74.58 0.43 Allowed 'General case' 0 C--N 1.394 2.541 0 CA-C-N 122.967 2.622 . . . . 0.0 106.379 176.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 tp -161.33 161.05 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.389 2.307 0 C-N-CA 118.284 -1.366 . . . . 0.0 113.535 -171.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 38.1 mt -101.43 84.8 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.389 2.284 0 CA-C-O 123.6 1.667 . . . . 0.0 106.797 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.15 111.64 16.75 Favored 'General case' 0 C--N 1.381 1.959 0 N-CA-C 101.941 -3.355 . . . . 0.0 101.941 -179.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.512 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -157.86 -170.61 3.23 Favored 'General case' 0 C--N 1.39 2.366 0 CA-C-N 115.077 -0.965 . . . . 0.0 112.721 -160.465 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 175.92 -169.37 42.01 Favored Glycine 0 C--N 1.393 3.744 1 C-N-CA 112.683 -4.579 . . . . 0.0 120.155 -172.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.0 t -75.32 112.08 11.25 Favored 'General case' 0 C--N 1.382 2.02 0 CA-C-N 112.645 -1.777 . . . . 0.0 108.293 -177.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.4 -114.41 0.3 Allowed Glycine 1 C--N 1.403 4.281 0 C-N-CA 117.631 -2.223 . . . . 0.0 109.294 -179.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.457 ' SG ' ' N ' ' A' ' 40' ' ' PHE 2.405 45.4 t 101.9 -166.51 0.0 OUTLIER 'General case' 0 C--N 1.385 2.123 0 N-CA-C 116.807 2.151 . . . . 0.0 116.807 174.123 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.457 ' N ' ' SG ' ' A' ' 39' ' ' CYS . 5.0 m-85 66.3 57.51 0.74 Allowed 'General case' 0 C--N 1.387 2.208 0 CA-C-N 113.704 -1.589 . . . . 0.0 109.265 167.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 45.5 p -84.59 123.08 74.88 Favored Pre-proline 0 C--N 1.392 2.447 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 176.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -78.36 172.03 15.99 Favored 'Trans proline' 0 C--N 1.398 3.159 0 CA-C-O 122.676 1.032 . . . . 0.0 113.217 -173.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.471 HH11 ' HG3' ' A' ' 43' ' ' ARG . 2.2 tpm_? -86.31 54.85 3.3 Favored 'General case' 0 C--N 1.386 2.195 0 N-CA-C 107.1 -1.444 . . . . 0.0 107.1 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -104.14 2.15 43.99 Favored Glycine 0 C--N 1.39 3.554 0 CA-C-O 117.504 -1.72 . . . . 0.0 114.737 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.286 25.1 m-20 69.59 39.13 1.6 Allowed 'General case' 0 C--N 1.385 2.121 0 CA-C-N 120.845 2.323 . . . . 0.0 110.057 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 24.8 ttm -118.73 123.15 29.29 Favored Pre-proline 0 CA--C 1.583 2.242 0 N-CA-C 104.608 -2.368 . . . . 0.0 104.608 173.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -76.45 124.07 7.47 Favored 'Trans proline' 0 C--N 1.396 3.032 0 C-N-CA 122.111 1.874 . . . . 0.0 111.158 -171.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -130.67 173.3 20.19 Favored Glycine 0 C--N 1.397 3.952 0 O-C-N 121.01 -1.057 . . . . 0.0 114.573 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -53.21 161.2 3.83 Favored 'Trans proline' 0 C--N 1.393 2.894 0 C-N-CA 123.428 2.752 . . . . 0.0 116.412 174.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -89.62 129.27 36.09 Favored 'General case' 0 C--N 1.386 2.176 0 N-CA-C 105.762 -1.94 . . . . 0.0 105.762 178.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 10.1 m -118.33 155.56 30.43 Favored 'General case' 0 C--N 1.391 2.389 0 CA-C-O 123.407 1.575 . . . . 0.0 114.625 -170.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.9 t -137.4 169.05 18.44 Favored 'General case' 0 C--N 1.379 1.869 0 CA-C-N 112.799 -2.001 . . . . 0.0 111.511 -177.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -132.8 40.02 3.28 Favored 'General case' 0 C--N 1.379 1.858 0 CA-C-O 121.523 0.678 . . . . 0.0 110.218 -179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 42.7 t -137.62 154.44 49.74 Favored 'General case' 0 C--N 1.381 1.978 0 C-N-CA 124.843 1.257 . . . . 0.0 110.392 -177.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.538 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 37.3 t0 -56.66 127.23 30.37 Favored 'General case' 0 C--N 1.388 2.245 0 N-CA-C 106.911 -1.515 . . . . 0.0 106.911 176.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.538 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.305 5.2 mptt 72.76 -87.18 0.03 OUTLIER 'General case' 0 C--N 1.396 2.603 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 -179.533 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 35.4 t 68.24 67.59 0.33 Allowed 'General case' 0 C--N 1.38 1.921 0 N-CA-C 105.96 -1.867 . . . . 0.0 105.96 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.3 m120 72.16 75.55 0.16 Allowed 'General case' 0 C--N 1.389 2.288 0 N-CA-C 105.684 -1.969 . . . . 0.0 105.684 173.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.556 ' C ' ' HZ3' ' A' ' 24' ' ' LYS 0.258 10.3 tp . . . . . 0 CA--C 1.588 2.416 0 C-N-CA 129.088 2.955 . . . . 0.0 107.43 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.407 HH11 ' HG2' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 1 N--CA 1.549 4.504 0 CA-C-O 116.121 -1.895 . . . . 0.0 107.929 . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 24.9 mm -114.38 114.23 46.05 Favored 'Isoleucine or valine' 0 C--N 1.394 2.532 0 CA-C-N 122.127 2.24 . . . . 0.0 107.205 175.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . 0.286 81.3 m -124.31 151.17 44.6 Favored 'General case' 0 C--N 1.398 2.702 0 N-CA-C 107.1 -1.444 . . . . 0.0 107.1 164.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -97.13 145.15 26.28 Favored 'General case' 0 C--N 1.387 2.197 0 C-N-CA 119.121 -1.032 . . . . 0.0 113.681 -168.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 51.6 p-10 -124.73 24.75 7.66 Favored 'General case' 0 C--N 1.385 2.137 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.597 177.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.181 2.1 m-70 -74.58 -162.57 0.16 Allowed 'General case' 0 C--N 1.385 2.151 0 C-N-CA 128.89 2.876 . . . . 0.0 112.329 177.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 63.5 mt 69.12 179.19 0.24 Allowed 'General case' 0 C--N 1.384 2.082 0 CA-C-O 123.393 1.568 . . . . 0.0 114.152 172.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.14 18.73 52.94 Favored Glycine 0 C--N 1.382 3.118 0 CA-C-O 117.392 -1.782 . . . . 0.0 111.927 -175.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.0 m 104.46 -38.2 0.01 OUTLIER 'General case' 0 C--N 1.393 2.49 0 C-N-CA 131.371 3.868 . . . . 0.0 109.815 -175.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.526 ' HZ3' ' CG ' ' A' ' 30' ' ' ASP . 8.1 mptt -70.94 161.03 80.37 Favored Pre-proline 0 CA--C 1.579 2.096 0 C-N-CA 124.746 1.218 . . . . 0.0 112.869 -171.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -69.86 173.11 11.54 Favored 'Trans proline' 0 C--N 1.398 3.143 0 N-CA-C 115.081 1.146 . . . . 0.0 115.081 -178.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -67.26 153.59 76.72 Favored 'Trans proline' 0 C--N 1.393 2.872 0 N-CA-C 117.677 2.145 . . . . 0.0 117.677 -176.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.334 61.2 p -170.84 132.78 0.9 Allowed 'General case' 0 C--N 1.381 1.952 0 N-CA-C 103.814 -2.661 . . . . 0.0 103.814 177.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 44.8 p -125.38 146.02 49.78 Favored 'General case' 0 C--N 1.374 1.632 0 CA-C-N 113.734 -1.575 . . . . 0.0 108.845 -173.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -103.73 98.59 8.43 Favored 'General case' 0 C--N 1.378 1.845 0 CA-C-O 123.908 1.813 . . . . 0.0 107.294 -169.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 53.1 m -72.78 118.75 16.1 Favored 'General case' 0 C--N 1.388 2.26 0 N-CA-C 103.177 -2.897 . . . . 0.0 103.177 172.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.8 t -146.75 160.02 42.76 Favored 'General case' 0 C--N 1.387 2.221 0 CA-C-O 121.666 0.746 . . . . 0.0 112.685 -166.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -140.76 68.87 1.34 Allowed 'General case' 0 C--N 1.381 1.945 0 N-CA-C 104.908 -2.256 . . . . 0.0 104.908 171.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -119.67 120.06 35.52 Favored 'General case' 0 C--N 1.379 1.878 0 N-CA-C 102.709 -3.071 . . . . 0.0 102.709 177.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.231 1.1 m-20 -31.37 -51.6 0.19 Allowed 'General case' 0 C--N 1.388 2.273 0 C-N-CA 128.794 2.838 . . . . 0.0 110.967 -171.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.9 m -133.55 144.06 49.11 Favored 'General case' 0 C--N 1.387 2.216 0 CA-C-O 123.331 1.538 . . . . 0.0 109.219 173.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.27 28.6 p -121.51 148.46 44.44 Favored 'General case' 0 C--N 1.384 2.078 0 CA-C-O 122.981 1.372 . . . . 0.0 110.414 173.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -121.57 162.24 20.95 Favored 'General case' 0 C--N 1.382 2.004 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 -163.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.574 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -109.23 117.16 33.37 Favored 'General case' 0 C--N 1.381 1.971 0 CA-C-N 111.108 -2.769 . . . . 0.0 106.549 178.221 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.516 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 1.6 t30 -117.94 130.01 55.96 Favored 'General case' 0 CA--C 1.579 2.064 0 C-N-CA 129.014 2.926 . . . . 0.0 104.365 -177.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -141.65 30.34 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.406 3.06 0 CA-C-O 122.823 1.297 . . . . 0.0 114.295 -147.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.516 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -151.04 -106.32 0.06 Allowed 'General case' 0 CA--C 1.59 2.519 0 C-N-CA 127.396 2.278 . . . . 0.0 106.022 -166.331 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.291 51.5 m 65.49 170.13 0.21 Allowed 'General case' 0 C--N 1.396 2.621 0 C-N-CA 126.59 1.956 . . . . 0.0 115.385 171.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 38.1 t80 -70.85 -36.07 72.7 Favored 'General case' 0 C--N 1.399 2.755 0 C-N-CA 119.043 -1.063 . . . . 0.0 110.523 -176.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.526 ' CG ' ' HZ3' ' A' ' 10' ' ' LYS . 86.6 m-20 -60.58 -23.3 64.56 Favored 'General case' 0 C--N 1.391 2.37 0 CA-C-N 119.974 1.261 . . . . 0.0 109.871 175.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 72.3 77.82 0.15 Allowed 'General case' 0 C--N 1.394 2.505 0 N-CA-C 104.673 -2.343 . . . . 0.0 104.673 178.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.1 tp -177.26 170.0 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.393 2.493 0 CA-C-N 114.956 -1.02 . . . . 0.0 112.604 -166.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.3 mp -94.56 101.11 12.16 Favored 'Isoleucine or valine' 0 C--N 1.385 2.124 0 N-CA-C 104.205 -2.517 . . . . 0.0 104.205 172.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.569 HH11 ' HG2' ' A' ' 34' ' ' ARG . 3.4 ttp85 -150.27 134.9 17.45 Favored 'General case' 0 C--N 1.385 2.142 0 N-CA-C 104.597 -2.372 . . . . 0.0 104.597 -178.021 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.46 HH11 ' HG2' ' A' ' 35' ' ' ARG . 8.7 ptt-85 -172.52 -174.89 1.25 Allowed 'General case' 0 C--N 1.397 2.64 0 C-N-CA 116.624 -2.03 . . . . 0.0 112.204 -146.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 173.46 -168.04 40.86 Favored Glycine 0 C--N 1.394 3.777 0 C-N-CA 114.334 -3.793 . . . . 0.0 118.405 -176.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 56.7 m -71.1 122.59 20.37 Favored 'General case' 0 C--N 1.385 2.144 0 CA-C-N 114.043 -1.078 . . . . 0.0 111.004 -178.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.03 -99.88 0.13 Allowed Glycine 1 C--N 1.403 4.277 0 N-CA-C 105.955 -2.858 . . . . 0.0 105.955 170.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.369 29.0 t 95.75 -165.97 0.0 OUTLIER 'General case' 0 C--N 1.384 2.08 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 172.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 64.49 41.95 5.31 Favored 'General case' 0 C--N 1.384 2.074 0 CA-C-N 114.339 -1.3 . . . . 0.0 111.885 166.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.9 t -125.68 75.93 70.17 Favored Pre-proline 0 C--N 1.384 2.088 0 N-CA-C 104.189 -2.523 . . . . 0.0 104.189 175.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -101.99 67.56 0.04 OUTLIER 'Trans proline' 0 C--N 1.402 3.344 0 N-CA-C 105.261 -2.63 . . . . 0.0 105.261 -173.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.09 132.95 5.74 Favored 'General case' 0 C--N 1.384 2.089 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 -178.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.25 -19.65 79.51 Favored Glycine 0 C--N 1.391 3.629 0 CA-C-O 117.877 -1.513 . . . . 0.0 114.178 -177.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -93.97 26.9 3.0 Favored 'General case' 0 C--N 1.384 2.087 0 CA-C-N 120.454 2.127 . . . . 0.0 112.069 -176.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.0 ttt -154.09 91.65 3.13 Favored Pre-proline 0 C--N 1.381 1.935 0 N-CA-C 101.85 -3.389 . . . . 0.0 101.85 171.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -64.1 155.61 63.82 Favored 'Trans proline' 0 C--N 1.4 3.271 0 N-CA-C 116.243 1.593 . . . . 0.0 116.243 -172.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -167.8 179.75 40.95 Favored Glycine 0 C--N 1.39 3.56 0 C-N-CA 119.444 -1.36 . . . . 0.0 114.249 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_exo -65.82 -174.76 0.4 Allowed 'Trans proline' 0 C--N 1.393 2.891 0 C-N-CA 123.409 2.739 . . . . 0.0 115.629 172.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -114.97 136.65 52.89 Favored 'General case' 0 C--N 1.389 2.293 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 5.1 m -119.84 161.94 19.96 Favored 'General case' 0 C--N 1.392 2.433 0 N-CA-C 116.573 2.064 . . . . 0.0 116.573 -167.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.6 t -149.97 159.59 44.27 Favored 'General case' 0 C--N 1.386 2.166 0 CA-C-N 114.117 -1.401 . . . . 0.0 110.184 174.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.7 41.64 2.65 Favored 'General case' 0 C--N 1.39 2.369 0 O-C-N 121.677 -0.64 . . . . 0.0 111.498 -175.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.6 t -143.21 164.06 31.23 Favored 'General case' 0 C--N 1.386 2.193 0 N-CA-C 113.473 0.916 . . . . 0.0 113.473 -178.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.516 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 24.3 t0 -61.37 111.38 1.74 Allowed 'General case' 0 C--N 1.389 2.3 0 N-CA-C 105.972 -1.862 . . . . 0.0 105.972 -178.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.516 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.291 2.7 mptt 70.86 -63.39 0.42 Allowed 'General case' 0 C--N 1.393 2.479 0 C-N-CA 127.143 2.177 . . . . 0.0 108.716 -173.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.261 6.4 t 73.86 -44.65 0.58 Allowed 'General case' 0 C--N 1.383 2.063 0 C-N-CA 128.186 2.594 . . . . 0.0 109.077 -178.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -174.49 62.51 0.02 OUTLIER 'General case' 0 C--N 1.392 2.422 0 N-CA-C 107.208 -1.404 . . . . 0.0 107.208 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.574 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 5.7 tp . . . . . 0 CA--C 1.587 2.401 0 N-CA-C 104.464 -2.421 . . . . 0.0 104.464 -177.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 1 N--CA 1.545 4.313 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 21.4 mt -99.57 133.93 40.66 Favored 'Isoleucine or valine' 0 C--N 1.395 2.551 0 CA-C-N 119.519 1.054 . . . . 0.0 109.065 178.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 67.7 m -145.35 155.38 43.15 Favored 'General case' 0 C--N 1.387 2.204 0 CA-C-O 121.929 0.871 . . . . 0.0 109.668 167.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -68.48 152.42 45.43 Favored 'General case' 0 C--N 1.389 2.319 0 O-C-N 121.415 -0.803 . . . . 0.0 111.52 -177.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 54.0 t-20 -152.54 58.51 0.82 Allowed 'General case' 0 C--N 1.391 2.402 0 N-CA-C 105.306 -2.109 . . . . 0.0 105.306 175.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.187 6.0 m170 -99.21 -150.16 0.37 Allowed 'General case' 0 C--N 1.385 2.148 0 C-N-CA 125.354 1.462 . . . . 0.0 110.246 179.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.518 ' H ' ' HA ' ' A' ' 11' ' ' PRO 0.266 5.3 mp 65.69 -175.51 0.18 Allowed 'General case' 0 C--N 1.387 2.232 0 CA-C-O 121.935 0.874 . . . . 0.0 113.229 170.452 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.35 -43.05 3.17 Favored Glycine 0 C--N 1.386 3.332 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 -172.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.3 m -170.34 -42.5 0.02 OUTLIER 'General case' 0 C--N 1.381 1.965 0 N-CA-C 106.224 -1.769 . . . . 0.0 106.224 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -115.82 109.0 45.77 Favored Pre-proline 0 C--N 1.389 2.307 0 CA-C-O 118.071 -0.966 . . . . 0.0 109.571 -173.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.518 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 85.6 Cg_exo -83.95 3.29 7.72 Favored 'Trans proline' 0 C--N 1.41 3.769 0 N-CA-C 120.421 3.2 . . . . 0.0 120.421 175.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -72.41 -13.22 27.78 Favored 'Trans proline' 0 C--N 1.4 3.266 1 N-CA-C 124.217 4.66 . . . . 0.0 124.217 -176.559 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.3 p -113.63 157.85 21.59 Favored 'General case' 0 C--N 1.394 2.509 0 CA-C-N 125.644 3.838 . . . . 0.0 117.4 -174.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.9 p -133.48 146.2 50.9 Favored 'General case' 0 C--N 1.379 1.875 0 CA-C-N 112.132 -2.303 . . . . 0.0 108.088 -177.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -107.72 93.51 4.58 Favored 'General case' 0 C--N 1.379 1.872 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 -166.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 18.6 m -73.6 99.43 3.07 Favored 'General case' 0 C--N 1.395 2.562 0 N-CA-C 101.634 -3.469 . . . . 0.0 101.634 176.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.4 t -125.4 156.95 37.99 Favored 'General case' 0 C--N 1.394 2.541 0 CA-C-O 124.205 1.955 . . . . 0.0 114.411 -166.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.4 pm0 -91.86 -9.87 41.79 Favored 'General case' 0 C--N 1.377 1.77 0 CA-C-N 111.851 -2.431 . . . . 0.0 112.584 -176.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -71.77 128.64 36.44 Favored 'General case' 0 C--N 1.396 2.589 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 173.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.156 20.1 m-20 -63.94 6.0 0.2 Allowed 'General case' 0 CA--C 1.591 2.528 0 C-N-CA 129.541 3.136 . . . . 0.0 116.027 -174.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.9 m -160.98 150.26 16.83 Favored 'General case' 0 C--N 1.382 2.004 0 CA-C-N 120.918 1.69 . . . . 0.0 107.184 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.375 25.8 p -139.25 145.46 39.23 Favored 'General case' 0 C--N 1.39 2.346 0 CA-C-O 123.283 1.516 . . . . 0.0 113.592 -178.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 38.9 p90 -118.59 159.4 23.64 Favored 'General case' 0 C--N 1.391 2.376 0 N-CA-C 115.902 1.816 . . . . 0.0 115.902 -160.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.457 ' NZ ' ' OXT' ' A' ' 59' ' ' LEU . 40.9 mttm -105.57 123.64 48.24 Favored 'General case' 0 C--N 1.387 2.223 0 CA-C-O 123.306 1.526 . . . . 0.0 107.802 -179.068 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.504 ' HA ' ' HE1' ' A' ' 27' ' ' TRP . 1.1 t30 -118.67 121.95 41.38 Favored 'General case' 0 CA--C 1.575 1.907 0 N-CA-C 103.403 -2.814 . . . . 0.0 103.403 177.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.4 pp -139.23 17.38 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.392 2.45 0 N-CA-C 116.213 1.931 . . . . 0.0 116.213 -159.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.563 ' N ' ' CD1' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -139.16 -109.22 0.16 Allowed 'General case' 0 CA--C 1.585 2.299 0 C-N-CA 128.75 2.82 . . . . 0.0 105.706 -161.219 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.318 1.8 m 64.36 161.0 0.11 Allowed 'General case' 0 C--N 1.397 2.641 0 C-N-CA 126.205 1.802 . . . . 0.0 114.872 174.043 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -62.65 -41.35 99.0 Favored 'General case' 0 C--N 1.394 2.515 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.204 -178.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -72.06 -0.77 12.56 Favored 'General case' 0 CA--C 1.578 2.033 0 CA-C-O 116.948 -1.501 . . . . 0.0 112.796 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 61.85 70.56 0.58 Allowed 'General case' 0 C--N 1.398 2.711 0 CA-C-N 122.812 2.551 . . . . 0.0 107.233 171.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 tp -166.26 168.82 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.392 2.413 0 C-N-CA 116.988 -1.885 . . . . 0.0 113.69 -172.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.4 mp -106.78 107.82 23.68 Favored 'Isoleucine or valine' 0 C--N 1.385 2.109 0 N-CA-C 103.371 -2.826 . . . . 0.0 103.371 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.583 HH11 ' HG2' ' A' ' 34' ' ' ARG . 7.5 ttp85 -157.09 84.76 0.94 Allowed 'General case' 0 C--N 1.39 2.339 0 N-CA-C 102.383 -3.192 . . . . 0.0 102.383 -165.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.8 ptm180 -117.13 -174.08 2.52 Favored 'General case' 0 C--N 1.371 1.534 0 CA-C-N 110.178 -3.192 . . . . 0.0 113.683 -163.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 178.02 -165.08 34.34 Favored Glycine 0 C--N 1.391 3.602 1 C-N-CA 113.565 -4.16 . . . . 0.0 116.346 -170.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 26.3 p -94.01 118.76 31.95 Favored 'General case' 0 C--N 1.386 2.163 0 CA-C-O 122.513 1.149 . . . . 0.0 109.882 -177.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.63 -96.27 0.11 Allowed Glycine 0 C--N 1.393 3.742 0 N-CA-C 106.276 -2.729 . . . . 0.0 106.276 178.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.38 45.8 t 82.08 -60.45 0.19 Allowed 'General case' 0 C--N 1.385 2.113 0 CA-C-O 121.6 0.715 . . . . 0.0 109.347 -179.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -82.16 72.04 9.21 Favored 'General case' 0 C--N 1.382 1.986 0 N-CA-C 102.327 -3.212 . . . . 0.0 102.327 177.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.8 t -111.5 123.27 35.3 Favored Pre-proline 0 C--N 1.389 2.317 0 N-CA-C 107.339 -1.356 . . . . 0.0 107.339 -174.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -75.6 -176.26 2.88 Favored 'Trans proline' 0 C--N 1.39 2.753 0 CA-C-O 121.998 0.749 . . . . 0.0 111.979 171.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.46 HH11 ' HG3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -125.65 101.16 6.76 Favored 'General case' 0 C--N 1.379 1.857 0 N-CA-C 104.203 -2.517 . . . . 0.0 104.203 177.701 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -87.22 50.38 4.09 Favored Glycine 0 C--N 1.392 3.688 0 N-CA-C 107.87 -2.092 . . . . 0.0 107.87 172.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.363 1.0 OUTLIER 54.58 46.8 24.05 Favored 'General case' 0 C--N 1.383 2.035 0 C-N-CA 125.264 1.426 . . . . 0.0 107.91 -172.688 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 27.6 mtt -136.14 143.05 42.32 Favored Pre-proline 0 C--N 1.388 2.269 0 C-N-CA 126.232 1.813 . . . . 0.0 107.031 174.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_exo -74.07 127.63 11.53 Favored 'Trans proline' 0 C--N 1.396 3.044 0 CA-C-O 121.705 0.627 . . . . 0.0 111.573 -178.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -90.64 163.27 29.65 Favored Glycine 0 C--N 1.392 3.657 0 O-C-N 120.844 -1.16 . . . . 0.0 114.559 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -70.96 -173.76 0.97 Allowed 'Trans proline' 0 C--N 1.392 2.861 0 C-N-CA 123.681 2.921 . . . . 0.0 116.398 178.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -124.8 146.6 49.15 Favored 'General case' 0 C--N 1.389 2.292 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.567 177.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 2.8 m -122.93 167.95 12.91 Favored 'General case' 0 C--N 1.404 2.943 0 N-CA-C 121.521 3.897 . . . . 0.0 121.521 -155.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.9 t -144.13 163.91 32.21 Favored 'General case' 0 C--N 1.386 2.168 0 CA-C-N 112.481 -2.145 . . . . 0.0 110.943 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -128.43 53.55 1.82 Allowed 'General case' 0 C--N 1.383 2.059 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 174.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.2 t -129.98 161.12 31.64 Favored 'General case' 0 C--N 1.384 2.082 0 CA-C-O 122.203 1.002 . . . . 0.0 111.631 -178.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.478 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 30.2 t0 -75.16 116.57 16.03 Favored 'General case' 0 C--N 1.383 2.044 0 N-CA-C 104.574 -2.38 . . . . 0.0 104.574 173.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.478 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.289 9.0 mptt 73.42 -38.43 0.41 Allowed 'General case' 0 C--N 1.393 2.467 0 C-N-CA 125.928 1.691 . . . . 0.0 112.348 -179.855 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.1 t 57.46 31.97 21.07 Favored 'General case' 0 CA--C 1.588 2.413 0 CA-C-N 120.922 1.692 . . . . 0.0 108.95 -178.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.255 29.2 t30 70.13 -65.72 0.31 Allowed 'General case' 0 C--N 1.393 2.468 0 C-N-CA 130.517 3.527 . . . . 0.0 108.67 -173.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.457 ' OXT' ' NZ ' ' A' ' 24' ' ' LYS . 23.8 tp . . . . . 0 CA--C 1.58 2.11 1 N-CA-C 99.294 -4.335 . . . . 0.0 99.294 -178.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 1 N--CA 1.54 4.051 0 CA-C-O 118.15 -0.929 . . . . 0.0 109.264 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.8 mt -91.85 127.28 44.23 Favored 'Isoleucine or valine' 0 C--N 1.398 2.713 0 CA-C-N 119.836 1.198 . . . . 0.0 109.831 -177.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.0 m -140.87 147.34 38.76 Favored 'General case' 0 C--N 1.391 2.383 0 N-CA-C 107.79 -1.189 . . . . 0.0 107.79 164.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -77.66 157.61 30.1 Favored 'General case' 0 C--N 1.388 2.271 0 O-C-N 121.038 -1.038 . . . . 0.0 113.775 -169.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -130.81 6.86 4.71 Favored 'General case' 0 C--N 1.387 2.213 0 CA-C-O 117.975 -1.012 . . . . 0.0 112.227 175.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.224 49.5 m-70 -71.17 -159.01 0.04 OUTLIER 'General case' 0 C--N 1.39 2.332 0 C-N-CA 126.382 1.873 . . . . 0.0 113.695 -178.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 mp 71.26 179.11 0.24 Allowed 'General case' 0 C--N 1.39 2.355 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 175.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.05 -46.84 3.67 Favored Glycine 0 C--N 1.389 3.476 0 O-C-N 121.766 -0.584 . . . . 0.0 112.777 -176.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.4 m -172.98 -51.44 0.02 OUTLIER 'General case' 0 C--N 1.379 1.855 0 N-CA-C 107.066 -1.457 . . . . 0.0 107.066 -173.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.27 141.96 40.38 Favored Pre-proline 0 C--N 1.39 2.331 0 C-N-CA 118.903 -1.119 . . . . 0.0 110.031 -168.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -54.58 152.93 25.32 Favored 'Trans proline' 0 C--N 1.396 3.054 0 C-N-CA 121.594 1.529 . . . . 0.0 113.263 176.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -45.61 137.68 11.59 Favored 'Trans proline' 0 C--N 1.389 2.704 0 C-N-CA 122.742 2.294 . . . . 0.0 115.836 -177.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.259 8.4 p -160.64 124.58 3.53 Favored 'General case' 0 C--N 1.38 1.919 0 N-CA-C 101.719 -3.438 . . . . 0.0 101.719 177.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 60.1 p -122.11 144.55 48.86 Favored 'General case' 0 C--N 1.382 1.996 0 CA-C-O 122.521 1.153 . . . . 0.0 110.544 -169.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -97.26 101.98 13.65 Favored 'General case' 0 C--N 1.386 2.177 0 CA-C-N 114.902 -1.044 . . . . 0.0 108.555 -166.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.4 m -77.96 105.99 9.53 Favored 'General case' 0 C--N 1.393 2.458 0 N-CA-C 101.378 -3.564 . . . . 0.0 101.378 169.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -116.81 150.23 38.67 Favored 'General case' 0 C--N 1.386 2.167 0 CA-C-O 122.609 1.195 . . . . 0.0 111.086 -169.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -72.39 -31.97 66.01 Favored 'General case' 0 C--N 1.382 2.018 0 CA-C-N 115.015 -0.993 . . . . 0.0 110.507 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -61.35 129.73 42.67 Favored 'General case' 0 C--N 1.385 2.133 0 CA-C-O 123.737 1.732 . . . . 0.0 108.944 -174.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.078 47.3 m-20 -50.96 -39.86 56.19 Favored 'General case' 0 C--N 1.385 2.15 0 C-N-CA 130.033 3.333 . . . . 0.0 112.379 -178.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.4 t -117.55 135.44 53.95 Favored 'General case' 0 C--N 1.384 2.071 0 CA-C-O 123.774 1.75 . . . . 0.0 108.909 -172.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 18.6 p -139.11 146.21 40.41 Favored 'General case' 0 C--N 1.383 2.031 0 CA-C-O 123.335 1.54 . . . . 0.0 109.568 176.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.5 p90 -123.24 164.89 17.88 Favored 'General case' 0 C--N 1.379 1.857 0 N-CA-C 116.21 1.93 . . . . 0.0 116.21 -163.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.424 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 31.0 mttt -111.91 130.29 55.89 Favored 'General case' 0 C--N 1.387 2.215 0 CA-C-O 123.92 1.819 . . . . 0.0 109.377 -179.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.56 ' H ' ' HB3' ' A' ' 35' ' ' ARG . 0.7 OUTLIER -125.89 118.74 26.1 Favored 'General case' 0 CA--C 1.575 1.906 0 N-CA-C 103.037 -2.949 . . . . 0.0 103.037 -178.208 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -135.08 -13.93 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.399 2.743 0 N-CA-C 118.369 2.729 . . . . 0.0 118.369 -154.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.513 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -82.7 -105.19 0.04 OUTLIER 'General case' 0 CA--C 1.587 2.395 1 C-N-CA 133.839 4.856 . . . . 0.0 106.655 176.959 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.1 t 77.31 161.4 0.22 Allowed 'General case' 0 C--N 1.392 2.446 0 C-N-CA 125.384 1.474 . . . . 0.0 112.958 175.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -68.97 -45.73 69.93 Favored 'General case' 0 C--N 1.39 2.352 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.227 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -66.9 -6.67 17.42 Favored 'General case' 0 CA--C 1.579 2.068 0 CA-C-O 116.695 -1.621 . . . . 0.0 112.854 177.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 65.81 71.05 0.43 Allowed 'General case' 0 C--N 1.397 2.67 0 CA-C-N 123.167 2.712 . . . . 0.0 106.673 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.0 tp -163.26 161.51 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.397 2.664 0 C-N-CA 117.164 -1.814 . . . . 0.0 114.914 -172.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.4 mt -97.54 96.92 5.67 Favored 'Isoleucine or valine' 0 C--N 1.392 2.434 0 N-CA-C 105.95 -1.871 . . . . 0.0 105.95 177.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.16 113.05 8.15 Favored 'General case' 0 C--N 1.384 2.103 0 N-CA-C 103.132 -2.914 . . . . 0.0 103.132 -179.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.56 ' HB3' ' H ' ' A' ' 25' ' ' ASN 0.259 0.0 OUTLIER -141.99 -159.74 1.0 Allowed 'General case' 0 C--N 1.383 2.051 0 CA-C-N 113.828 -1.533 . . . . 0.0 112.392 -161.452 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -175.34 -173.66 41.28 Favored Glycine 0 C--N 1.388 3.428 0 C-N-CA 113.907 -3.997 . . . . 0.0 117.357 -174.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.7 p -98.62 125.82 44.01 Favored 'General case' 0 C--N 1.383 2.04 0 CA-C-O 122.528 1.156 . . . . 0.0 109.014 176.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.56 -90.1 0.08 OUTLIER Glycine 0 C--N 1.39 3.57 0 N-CA-C 103.853 -3.699 . . . . 0.0 103.853 178.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.407 34.7 t 77.68 -161.87 0.03 OUTLIER 'General case' 0 C--N 1.382 2.005 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 172.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 59.24 37.38 23.74 Favored 'General case' 0 C--N 1.381 1.963 0 CA-C-N 113.315 -1.766 . . . . 0.0 108.837 177.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.9 t -116.22 110.48 43.3 Favored Pre-proline 0 C--N 1.389 2.321 0 N-CA-C 105.466 -2.05 . . . . 0.0 105.466 -179.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -81.91 83.2 2.14 Favored 'Trans proline' 0 C--N 1.401 3.319 0 N-CA-C 105.876 -2.394 . . . . 0.0 105.876 179.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.66 130.2 34.74 Favored 'General case' 0 C--N 1.39 2.342 0 CA-C-O 122.842 1.306 . . . . 0.0 109.048 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -87.3 -79.53 1.23 Allowed Glycine 0 C--N 1.394 3.751 1 N-CA-C 101.064 -4.814 . . . . 0.0 101.064 163.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -140.11 36.36 1.92 Allowed 'General case' 0 C--N 1.39 2.347 0 CA-C-O 122.218 1.009 . . . . 0.0 109.471 167.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 51.3 mtt -71.85 171.85 8.4 Favored Pre-proline 0 C--N 1.391 2.41 0 C-N-CA 124.295 1.038 . . . . 0.0 111.686 174.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_exo -62.04 111.2 1.17 Allowed 'Trans proline' 0 C--N 1.399 3.226 0 N-CA-C 107.276 -1.856 . . . . 0.0 107.276 172.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -177.44 155.48 17.83 Favored Glycine 0 C--N 1.388 3.46 0 N-CA-C 109.87 -1.292 . . . . 0.0 109.87 -178.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_endo -76.01 -177.7 3.84 Favored 'Trans proline' 0 C--N 1.381 2.266 0 C-N-CA 121.63 1.553 . . . . 0.0 109.529 171.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 25.0 p90 -109.53 125.49 52.56 Favored 'General case' 0 C--N 1.382 1.985 0 N-CA-C 104.155 -2.535 . . . . 0.0 104.155 174.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.2 m -114.97 156.44 25.06 Favored 'General case' 0 C--N 1.399 2.727 0 N-CA-C 116.03 1.863 . . . . 0.0 116.03 -166.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.7 t -124.91 165.57 17.85 Favored 'General case' 0 C--N 1.381 1.969 0 CA-C-N 113.162 -1.836 . . . . 0.0 110.839 175.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -125.48 45.25 2.63 Favored 'General case' 0 C--N 1.381 1.956 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 175.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.1 t -155.48 173.04 17.24 Favored 'General case' 0 C--N 1.392 2.451 0 CA-C-O 121.95 0.881 . . . . 0.0 111.441 178.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.562 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 26.8 t0 -70.53 111.77 6.3 Favored 'General case' 0 C--N 1.384 2.068 0 C-N-CA 125.027 1.331 . . . . 0.0 107.801 -171.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.562 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.267 8.3 mptt 73.99 -58.01 0.6 Allowed 'General case' 0 C--N 1.397 2.659 0 C-N-CA 126.777 2.031 . . . . 0.0 112.358 177.712 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.267 29.4 m 60.38 59.86 2.16 Favored 'General case' 0 C--N 1.375 1.714 0 C-N-CA 127.556 2.342 . . . . 0.0 107.547 -177.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 72.95 76.17 0.14 Allowed 'General case' 0 C--N 1.388 2.281 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 169.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.424 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 0.3 OUTLIER . . . . . 0 CA--C 1.59 2.509 0 N-CA-C 105.009 -2.219 . . . . 0.0 105.009 177.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 8.2 ttm105 . . . . . 1 N--CA 1.54 4.074 0 N-CA-C 104.94 -2.244 . . . . 0.0 104.94 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.9 mp -137.86 136.6 45.4 Favored 'Isoleucine or valine' 0 C--N 1.387 2.228 0 CA-C-N 121.688 2.04 . . . . 0.0 108.664 178.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.4 m -142.59 140.31 31.66 Favored 'General case' 0 C--N 1.387 2.207 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 171.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -84.2 165.92 17.99 Favored 'General case' 0 C--N 1.386 2.191 0 O-C-N 120.445 -1.409 . . . . 0.0 112.39 -172.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -142.86 32.87 1.4 Allowed 'General case' 0 C--N 1.385 2.118 0 C-N-CA 119.585 -0.846 . . . . 0.0 110.107 176.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.205 3.0 m-70 -85.0 -170.32 3.08 Favored 'General case' 0 C--N 1.387 2.217 0 C-N-CA 127.143 2.177 . . . . 0.0 115.885 -175.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.0 mt 81.6 179.15 0.08 Allowed 'General case' 0 C--N 1.389 2.319 0 N-CA-C 116.008 1.855 . . . . 0.0 116.008 173.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.26 27.46 30.57 Favored Glycine 0 C--N 1.39 3.541 0 CA-C-O 117.681 -1.621 . . . . 0.0 113.505 -175.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.1 m 87.16 -40.33 0.03 OUTLIER 'General case' 0 C--N 1.394 2.51 0 C-N-CA 129.964 3.306 . . . . 0.0 108.557 -174.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.5 mptt -64.51 142.15 98.37 Favored Pre-proline 0 CA--C 1.58 2.134 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -54.16 160.99 5.6 Favored 'Trans proline' 0 C--N 1.392 2.842 0 C-N-CA 123.31 2.674 . . . . 0.0 118.189 -176.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -63.17 145.09 93.33 Favored 'Trans proline' 0 C--N 1.394 2.97 0 C-N-CA 120.852 1.035 . . . . 0.0 113.536 178.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.8 p -159.84 146.97 16.49 Favored 'General case' 0 C--N 1.384 2.078 0 N-CA-C 106.41 -1.7 . . . . 0.0 106.41 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 72.0 p -138.76 147.77 43.04 Favored 'General case' 0 C--N 1.385 2.143 0 CA-C-O 121.948 0.88 . . . . 0.0 111.646 -174.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -111.36 125.16 53.56 Favored 'General case' 0 C--N 1.386 2.184 0 CA-C-O 122.368 1.08 . . . . 0.0 109.579 -171.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 52.1 m -86.02 116.75 24.43 Favored 'General case' 0 C--N 1.386 2.192 0 N-CA-C 103.695 -2.706 . . . . 0.0 103.695 176.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.0 t -112.9 149.58 32.97 Favored 'General case' 0 C--N 1.389 2.298 0 CA-C-O 125.028 2.347 . . . . 0.0 111.755 -171.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -159.34 41.82 0.22 Allowed 'General case' 0 C--N 1.373 1.614 0 CA-C-N 110.726 -2.943 . . . . 0.0 105.217 174.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -109.51 45.93 1.04 Allowed 'General case' 0 C--N 1.394 2.507 0 N-CA-C 105.91 -1.885 . . . . 0.0 105.91 173.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.357 1.1 m-20 69.86 -37.98 0.39 Allowed 'General case' 0 C--N 1.388 2.26 0 C-N-CA 128.004 2.522 . . . . 0.0 114.331 178.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 12.0 p -160.83 179.94 8.09 Favored 'General case' 0 C--N 1.385 2.12 0 O-C-N 121.031 -1.043 . . . . 0.0 113.461 -173.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.7 p -150.52 150.62 31.5 Favored 'General case' 0 C--N 1.387 2.207 0 CA-C-O 123.056 1.407 . . . . 0.0 111.737 174.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.4 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 39.0 p90 -117.18 154.15 31.61 Favored 'General case' 0 C--N 1.38 1.893 0 CA-C-N 114.611 -1.177 . . . . 0.0 113.56 -170.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.527 ' NZ ' ' OXT' ' A' ' 59' ' ' LEU . 14.1 tppt? -98.4 126.65 44.01 Favored 'General case' 0 C--N 1.383 2.057 0 C-N-CA 125.966 1.706 . . . . 0.0 106.527 175.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.616 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 8.8 t30 -127.39 131.77 50.25 Favored 'General case' 0 CA--C 1.583 2.238 0 N-CA-C 105.081 -2.192 . . . . 0.0 105.081 -174.407 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -140.34 39.46 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.402 2.89 0 CA-C-O 123.234 1.492 . . . . 0.0 114.275 -151.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.616 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -168.06 -104.77 0.01 OUTLIER 'General case' 0 CA--C 1.588 2.417 0 N-CA-C 105.31 -2.107 . . . . 0.0 105.31 -161.945 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.433 HG22 HD22 ' A' ' 25' ' ' ASN 0.347 1.0 OUTLIER 85.64 -94.09 0.01 OUTLIER 'General case' 0 CA--C 1.589 2.464 0 C-N-CA 125.088 1.355 . . . . 0.0 109.054 168.673 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 28.9 p90 -157.84 -50.48 0.07 Allowed 'General case' 0 C--N 1.392 2.418 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 178.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . 0.267 9.8 p30 -75.76 24.02 0.12 Allowed 'General case' 0 CA--C 1.591 2.53 0 C-N-CA 124.593 1.157 . . . . 0.0 110.497 173.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.5 t30 35.69 74.39 0.07 Allowed 'General case' 0 C--N 1.398 2.69 1 C-N-CA 132.251 4.22 . . . . 0.0 105.736 175.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.6 tp -150.08 154.62 8.77 Favored 'Isoleucine or valine' 0 C--N 1.387 2.199 0 CA-C-O 122.59 1.186 . . . . 0.0 111.779 -169.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.9 mp -79.14 113.85 19.06 Favored 'Isoleucine or valine' 0 C--N 1.39 2.337 0 N-CA-C 103.306 -2.85 . . . . 0.0 103.306 168.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.8 ttp85 -159.62 111.38 2.06 Favored 'General case' 0 C--N 1.38 1.918 0 N-CA-C 101.91 -3.367 . . . . 0.0 101.91 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.461 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -141.41 -170.59 3.12 Favored 'General case' 0 C--N 1.38 1.921 0 CA-C-N 114.047 -1.433 . . . . 0.0 113.796 -161.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -176.92 -179.04 47.13 Favored Glycine 0 C--N 1.391 3.584 1 C-N-CA 112.734 -4.555 . . . . 0.0 120.338 -176.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.2 t -69.83 102.33 1.92 Allowed 'General case' 0 C--N 1.38 1.9 0 CA-C-N 110.493 -2.853 . . . . 0.0 108.577 -177.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.5 -111.67 0.26 Allowed Glycine 0 C--N 1.397 3.918 0 N-CA-C 107.421 -2.272 . . . . 0.0 107.421 174.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.488 ' SG ' ' N ' ' A' ' 40' ' ' PHE 2.316 20.7 t 106.04 -170.96 0.0 OUTLIER 'General case' 0 C--N 1.385 2.138 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 176.496 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.488 ' N ' ' SG ' ' A' ' 39' ' ' CYS 0.259 0.1 OUTLIER 59.94 49.14 8.04 Favored 'General case' 0 C--N 1.379 1.881 0 CA-C-N 113.692 -1.595 . . . . 0.0 108.297 172.159 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.5 t -132.71 74.54 74.57 Favored Pre-proline 0 C--N 1.387 2.212 0 N-CA-C 105.086 -2.19 . . . . 0.0 105.086 174.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo -86.74 96.26 0.5 Allowed 'Trans proline' 0 C--N 1.404 3.449 0 N-CA-C 105.59 -2.504 . . . . 0.0 105.59 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.443 HH11 ' HG2' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -148.02 151.54 35.9 Favored 'General case' 0 C--N 1.393 2.481 0 CA-C-O 123.157 1.456 . . . . 0.0 114.119 -178.295 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -107.42 -43.43 1.36 Allowed Glycine 0 C--N 1.387 3.416 0 CA-C-N 113.505 -1.679 . . . . 0.0 110.639 174.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -82.54 21.47 0.97 Allowed 'General case' 0 C--N 1.384 2.099 0 C-N-CA 127.041 2.136 . . . . 0.0 114.177 -175.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 18.0 ttm -170.76 109.6 0.42 Allowed Pre-proline 0 C--N 1.373 1.622 0 N-CA-C 101.221 -3.622 . . . . 0.0 101.221 172.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -60.77 133.46 48.17 Favored 'Trans proline' 0 C--N 1.398 3.16 0 CA-C-O 122.661 1.026 . . . . 0.0 113.106 -171.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -124.89 168.32 17.02 Favored Glycine 0 C--N 1.392 3.659 0 CA-C-N 115.284 -0.871 . . . . 0.0 114.535 -179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -82.69 178.42 6.11 Favored 'Trans proline' 0 C--N 1.387 2.563 0 C-N-CA 122.779 2.319 . . . . 0.0 110.02 176.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.8 p90 -117.27 146.61 43.19 Favored 'General case' 0 C--N 1.388 2.266 0 CA-C-O 118.652 -0.69 . . . . 0.0 110.151 179.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 4.1 m -135.6 162.77 31.77 Favored 'General case' 0 C--N 1.405 2.995 0 N-CA-C 120.258 3.429 . . . . 0.0 120.258 -162.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.0 t -142.1 152.14 42.98 Favored 'General case' 0 C--N 1.39 2.348 0 CA-C-N 113.27 -1.786 . . . . 0.0 110.881 179.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -123.89 51.65 1.52 Allowed 'General case' 0 C--N 1.388 2.273 0 O-C-N 121.391 -0.818 . . . . 0.0 110.827 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 54.3 p -152.45 169.76 21.79 Favored 'General case' 0 C--N 1.381 1.975 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.596 177.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -66.95 110.33 3.31 Favored 'General case' 0 CA--C 1.589 2.455 0 CA-C-O 122.867 1.318 . . . . 0.0 109.745 -167.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.314 0.0 OUTLIER 69.85 -70.7 0.14 Allowed 'General case' 0 C--N 1.396 2.597 0 C-N-CA 129.655 3.182 . . . . 0.0 111.5 -175.42 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 16.3 m 78.93 -47.87 0.42 Allowed 'General case' 0 C--N 1.382 2.015 0 C-N-CA 127.491 2.316 . . . . 0.0 109.52 -173.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -162.1 69.7 0.29 Allowed 'General case' 0 C--N 1.389 2.3 0 N-CA-C 105.371 -2.085 . . . . 0.0 105.371 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.527 ' OXT' ' NZ ' ' A' ' 24' ' ' LYS . 3.3 mm? . . . . . 0 CA--C 1.598 2.812 0 CA-C-O 115.579 -2.153 . . . . 0.0 109.63 179.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.41 ' HG3' HH11 ' A' ' 1' ' ' ARG . 35.3 mtt85 . . . . . 0 N--CA 1.532 3.634 0 N-CA-C 106.388 -1.708 . . . . 0.0 106.388 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.3 mp -140.04 128.91 27.02 Favored 'Isoleucine or valine' 0 CA--C 1.58 2.107 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 177.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.3 m -137.68 151.97 48.81 Favored 'General case' 0 CA--C 1.594 2.662 0 N-CA-C 107.28 -1.378 . . . . 0.0 107.28 168.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -111.58 148.22 33.76 Favored 'General case' 0 C--N 1.397 2.633 0 O-C-N 120.859 -1.151 . . . . 0.0 114.044 -165.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -123.43 24.03 8.78 Favored 'General case' 0 C--N 1.383 2.036 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.357 -176.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.212 58.1 m-70 -86.27 -153.48 0.19 Allowed 'General case' 0 C--N 1.39 2.369 0 C-N-CA 128.469 2.708 . . . . 0.0 113.334 177.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.261 32.9 mt 67.16 -174.17 0.19 Allowed 'General case' 0 C--N 1.39 2.355 0 CA-C-O 121.901 0.858 . . . . 0.0 110.798 -178.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.12 -71.35 3.0 Favored Glycine 0 C--N 1.384 3.197 0 N-CA-C 104.865 -3.294 . . . . 0.0 104.865 -166.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.8 m 173.81 -45.99 0.01 OUTLIER 'General case' 0 C--N 1.391 2.394 0 C-N-CA 125.096 1.358 . . . . 0.0 107.776 177.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -52.03 153.17 4.87 Favored Pre-proline 0 CA--C 1.587 2.384 0 CA-C-O 121.636 0.731 . . . . 0.0 110.22 -179.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_exo -55.66 159.44 11.27 Favored 'Trans proline' 0 C--N 1.399 3.226 0 N-CA-C 116.258 1.599 . . . . 0.0 116.258 -171.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -68.37 144.31 61.37 Favored 'Trans proline' 0 C--N 1.399 3.194 0 CA-C-O 124.116 1.632 . . . . 0.0 115.645 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 72.2 p -146.69 129.32 16.07 Favored 'General case' 0 C--N 1.378 1.813 0 N-CA-C 102.874 -3.01 . . . . 0.0 102.874 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 46.3 p -132.87 145.99 51.42 Favored 'General case' 0 C--N 1.38 1.924 0 O-C-N 121.169 -0.957 . . . . 0.0 109.513 -168.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -107.16 95.26 5.59 Favored 'General case' 0 C--N 1.381 1.968 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 -172.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.4 m -79.44 106.4 11.45 Favored 'General case' 0 C--N 1.393 2.47 0 N-CA-C 102.014 -3.328 . . . . 0.0 102.014 166.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.0 t -119.19 155.83 30.96 Favored 'General case' 0 C--N 1.385 2.115 0 C-N-CA 124.211 1.004 . . . . 0.0 111.827 -174.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.91 42.47 2.17 Favored 'General case' 0 C--N 1.376 1.742 0 C-N-CA 125.73 1.612 . . . . 0.0 111.227 -177.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -119.34 158.74 25.52 Favored 'General case' 0 C--N 1.389 2.286 0 CA-C-O 122.327 1.061 . . . . 0.0 113.862 -176.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.087 1.3 m-20 -45.94 -49.24 16.0 Favored 'General case' 0 C--N 1.384 2.095 0 C-N-CA 128.573 2.749 . . . . 0.0 109.363 178.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 65.9 m -131.94 145.05 51.26 Favored 'General case' 0 C--N 1.392 2.427 0 CA-C-O 123.397 1.57 . . . . 0.0 113.108 -175.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.337 12.1 p -135.66 137.46 41.84 Favored 'General case' 0 C--N 1.385 2.152 0 CA-C-O 123.759 1.742 . . . . 0.0 108.154 167.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -119.25 160.1 22.83 Favored 'General case' 0 C--N 1.379 1.863 0 CA-C-N 113.659 -1.61 . . . . 0.0 114.582 -161.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 69.8 mmtt -101.12 126.98 47.87 Favored 'General case' 0 C--N 1.386 2.16 0 CA-C-N 112.575 -2.102 . . . . 0.0 107.547 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.582 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 5.6 t30 -118.97 126.29 51.4 Favored 'General case' 0 CA--C 1.579 2.084 0 N-CA-C 102.753 -3.054 . . . . 0.0 102.753 179.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -127.7 -11.64 3.7 Favored 'Isoleucine or valine' 0 C--N 1.401 2.814 0 N-CA-C 117.859 2.54 . . . . 0.0 117.859 -150.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.582 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -94.22 -107.43 0.13 Allowed 'General case' 0 CA--C 1.588 2.436 1 C-N-CA 133.594 4.758 . . . . 0.0 107.973 -174.254 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.5 t 77.2 151.87 0.13 Allowed 'General case' 0 C--N 1.39 2.367 0 C-N-CA 125.959 1.704 . . . . 0.0 114.104 173.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -56.93 -40.49 76.45 Favored 'General case' 0 C--N 1.393 2.478 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.792 175.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -80.09 4.05 18.46 Favored 'General case' 0 CA--C 1.575 1.937 0 C-N-CA 126.38 1.872 . . . . 0.0 112.915 -176.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 62.83 68.68 0.63 Allowed 'General case' 0 C--N 1.399 2.755 0 CA-C-N 122.851 2.569 . . . . 0.0 106.278 174.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 tp -166.18 162.99 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.394 2.533 0 C-N-CA 116.358 -2.137 . . . . 0.0 114.128 -170.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 74.7 mt -98.88 105.9 18.06 Favored 'Isoleucine or valine' 0 C--N 1.389 2.288 0 N-CA-C 103.956 -2.609 . . . . 0.0 103.956 175.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.543 HH11 ' HG2' ' A' ' 34' ' ' ARG . 6.3 ttp85 -142.13 113.21 7.53 Favored 'General case' 0 C--N 1.387 2.228 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 -171.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.11 -170.76 3.49 Favored 'General case' 0 C--N 1.397 2.673 0 N-CA-C 115.28 1.585 . . . . 0.0 115.28 -153.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 179.18 -163.82 31.6 Favored Glycine 0 C--N 1.397 3.956 0 C-N-CA 114.328 -3.796 . . . . 0.0 117.526 -169.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.8 p -95.55 118.37 32.14 Favored 'General case' 0 C--N 1.395 2.576 0 CA-C-O 123.334 1.54 . . . . 0.0 111.421 -176.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.21 -98.69 0.11 Allowed Glycine 0 C--N 1.393 3.717 0 N-CA-C 105.089 -3.204 . . . . 0.0 105.089 176.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.359 8.1 t 74.99 -150.73 0.04 OUTLIER 'General case' 0 C--N 1.39 2.327 0 C-N-CA 118.658 -1.217 . . . . 0.0 111.529 -178.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 59.78 42.38 16.79 Favored 'General case' 0 C--N 1.382 1.999 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.21 178.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 82.6 p -86.78 128.49 56.1 Favored Pre-proline 0 C--N 1.391 2.379 0 N-CA-C 106.988 -1.486 . . . . 0.0 106.988 176.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -75.98 -173.13 1.55 Allowed 'Trans proline' 0 C--N 1.398 3.179 0 CA-C-N 119.803 0.965 . . . . 0.0 113.053 174.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -83.98 78.48 9.74 Favored 'General case' 0 C--N 1.393 2.484 0 N-CA-C 104.421 -2.437 . . . . 0.0 104.421 176.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -82.26 172.51 52.61 Favored Glycine 0 C--N 1.385 3.301 0 C-N-CA 120.876 -0.678 . . . . 0.0 111.531 168.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -107.86 46.25 0.96 Allowed 'General case' 0 CA--C 1.57 1.747 0 N-CA-C 105.057 -2.201 . . . . 0.0 105.057 175.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.3 ptt? -140.81 150.65 60.51 Favored Pre-proline 0 CA--C 1.579 2.082 0 C-N-CA 126.19 1.796 . . . . 0.0 109.712 -174.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -71.48 140.23 36.03 Favored 'Trans proline' 0 C--N 1.398 3.162 0 CA-C-O 122.17 0.821 . . . . 0.0 113.606 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -140.94 162.5 26.72 Favored Glycine 0 C--N 1.391 3.632 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.742 178.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -70.36 174.64 9.74 Favored 'Trans proline' 0 C--N 1.389 2.706 0 C-N-CA 120.829 1.019 . . . . 0.0 114.535 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.435 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -101.62 122.4 43.79 Favored 'General case' 0 CA--C 1.579 2.074 0 N-CA-C 104.789 -2.3 . . . . 0.0 104.789 178.433 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.11 156.37 25.34 Favored 'General case' 0 C--N 1.396 2.587 0 O-C-N 120.693 -1.254 . . . . 0.0 114.349 -169.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.3 t -136.67 162.92 31.82 Favored 'General case' 0 C--N 1.383 2.031 0 CA-C-N 114.13 -1.395 . . . . 0.0 111.539 -175.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -133.04 48.04 2.44 Favored 'General case' 0 C--N 1.385 2.128 0 CA-C-O 121.739 0.781 . . . . 0.0 110.053 -178.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.42 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 23.6 t -143.6 153.24 42.33 Favored 'General case' 0 C--N 1.382 1.985 0 C-N-CA 125.227 1.411 . . . . 0.0 107.88 177.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.521 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 42.2 t0 -64.8 125.78 25.87 Favored 'General case' 0 CA--C 1.584 2.26 0 N-CA-C 107.56 -1.274 . . . . 0.0 107.56 -178.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.521 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.288 2.4 mptt 73.71 -60.0 0.54 Allowed 'General case' 0 C--N 1.398 2.693 0 C-N-CA 127.588 2.355 . . . . 0.0 111.88 -178.367 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.42 ' SG ' ' HB3' ' A' ' 54' ' ' SER . 73.3 m 62.15 50.45 3.96 Favored 'General case' 0 C--N 1.38 1.921 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 -171.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 41.2 t30 64.71 83.51 0.17 Allowed 'General case' 0 C--N 1.391 2.405 0 N-CA-C 106.384 -1.71 . . . . 0.0 106.384 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 44.7 mt . . . . . 0 CA--C 1.6 2.882 0 C-N-CA 125.847 1.659 . . . . 0.0 109.249 177.141 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 1 N--CA 1.544 4.239 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.2 mp -83.59 127.47 39.71 Favored 'Isoleucine or valine' 0 C--N 1.398 2.705 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 178.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.1 m -144.17 139.97 29.09 Favored 'General case' 0 C--N 1.387 2.222 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 173.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -82.89 164.58 20.4 Favored 'General case' 0 C--N 1.386 2.178 0 N-CA-C 114.777 1.399 . . . . 0.0 114.777 -166.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -149.33 49.34 0.96 Allowed 'General case' 0 C--N 1.389 2.308 0 N-CA-C 106.299 -1.741 . . . . 0.0 106.299 173.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.211 13.0 m170 -89.52 -149.89 0.2 Allowed 'General case' 0 C--N 1.386 2.194 0 C-N-CA 125.659 1.584 . . . . 0.0 109.874 177.267 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.585 HD13 HD11 ' A' ' 32' ' ' ILE . 11.4 mt 64.0 -172.57 0.17 Allowed 'General case' 0 C--N 1.383 2.03 0 CA-C-O 122.212 1.006 . . . . 0.0 112.584 174.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.52 -47.33 3.03 Favored Glycine 0 C--N 1.386 3.336 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -173.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 62.6 m 178.16 -37.79 0.01 OUTLIER 'General case' 0 C--N 1.385 2.149 0 C-N-CA 126.967 2.107 . . . . 0.0 105.992 -177.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -106.68 122.62 41.25 Favored Pre-proline 0 C--N 1.386 2.153 0 C-N-CA 126.477 1.911 . . . . 0.0 110.507 -174.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -88.55 2.41 6.14 Favored 'Trans proline' 0 C--N 1.407 3.63 0 N-CA-C 120.928 3.395 . . . . 0.0 120.928 176.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -82.4 -23.37 4.24 Favored 'Trans proline' 0 C--N 1.405 3.537 1 N-CA-C 126.492 5.536 . . . . 0.0 126.492 -173.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.9 p -84.56 129.49 34.84 Favored 'General case' 0 C--N 1.394 2.526 0 CA-C-N 125.483 3.765 . . . . 0.0 113.166 -176.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 78.0 p -123.37 142.55 50.86 Favored 'General case' 0 C--N 1.379 1.888 0 C-N-CA 127.881 2.472 . . . . 0.0 106.41 171.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -113.62 102.13 9.99 Favored 'General case' 0 C--N 1.381 1.956 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 -170.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.9 t -69.13 122.08 18.05 Favored 'General case' 0 C--N 1.4 2.766 0 N-CA-C 103.476 -2.787 . . . . 0.0 103.476 169.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.1 t -137.19 148.12 46.34 Favored 'General case' 0 C--N 1.39 2.327 0 CA-C-O 124.592 2.139 . . . . 0.0 112.191 -172.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.5 pm0 -94.74 -6.54 42.87 Favored 'General case' 0 C--N 1.374 1.649 0 CA-C-N 112.053 -2.34 . . . . 0.0 111.091 178.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -68.67 114.94 7.48 Favored 'General case' 0 C--N 1.393 2.486 0 N-CA-C 103.069 -2.937 . . . . 0.0 103.069 175.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.183 70.9 m-20 -60.32 1.47 0.12 Allowed 'General case' 0 C--N 1.388 2.242 0 C-N-CA 127.584 2.354 . . . . 0.0 113.667 -177.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.9 p -147.57 144.03 28.18 Favored 'General case' 0 C--N 1.382 1.997 0 N-CA-C 106.517 -1.661 . . . . 0.0 106.517 175.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.4 p -136.33 149.84 48.58 Favored 'General case' 0 C--N 1.381 1.96 0 CA-C-O 123.894 1.807 . . . . 0.0 111.12 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.403 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 40.2 p90 -116.62 150.67 37.7 Favored 'General case' 0 C--N 1.378 1.843 0 CA-C-N 112.845 -1.98 . . . . 0.0 114.134 -163.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.481 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -116.19 116.26 27.49 Favored 'General case' 0 C--N 1.388 2.264 0 CA-C-O 124.066 1.889 . . . . 0.0 106.798 179.72 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -117.32 107.92 14.97 Favored 'General case' 0 CA--C 1.584 2.276 0 N-CA-C 101.922 -3.362 . . . . 0.0 101.922 -175.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -109.25 -25.25 3.67 Favored 'Isoleucine or valine' 0 C--N 1.398 2.714 0 N-CA-C 118.531 2.789 . . . . 0.0 118.531 -157.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.605 ' N ' ' CD1' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -73.54 -102.13 0.01 OUTLIER 'General case' 0 CA--C 1.584 2.286 1 C-N-CA 134.577 5.151 . . . . 0.0 107.675 177.559 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.1 t 77.45 159.27 0.2 Allowed 'General case' 0 C--N 1.392 2.45 0 C-N-CA 125.367 1.467 . . . . 0.0 112.322 177.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -73.59 -35.53 65.42 Favored 'General case' 0 C--N 1.389 2.31 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.578 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.467 ' CG ' HH21 ' A' ' 34' ' ' ARG . 42.0 p-10 -79.17 3.38 17.89 Favored 'General case' 0 CA--C 1.586 2.34 0 C-N-CA 125.367 1.467 . . . . 0.0 112.116 174.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 64.27 69.75 0.52 Allowed 'General case' 0 C--N 1.396 2.612 0 C-N-CA 127.08 2.152 . . . . 0.0 109.323 169.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.585 HD11 HD13 ' A' ' 7' ' ' LEU . 3.4 tp -168.09 163.53 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.392 2.428 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 -174.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.6 mt -84.35 102.71 10.7 Favored 'Isoleucine or valine' 0 C--N 1.391 2.409 0 N-CA-C 105.191 -2.151 . . . . 0.0 105.191 170.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.583 HH11 ' HG2' ' A' ' 34' ' ' ARG . 1.7 ttp85 -146.0 111.67 5.54 Favored 'General case' 0 C--N 1.383 2.038 0 N-CA-C 102.084 -3.302 . . . . 0.0 102.084 -179.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.6 -167.84 2.26 Favored 'General case' 0 C--N 1.393 2.458 0 CA-C-N 113.663 -1.608 . . . . 0.0 112.571 -155.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 175.22 -165.41 36.41 Favored Glycine 0 C--N 1.391 3.616 0 C-N-CA 114.221 -3.847 . . . . 0.0 118.021 -175.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.8 p -85.55 122.01 29.06 Favored 'General case' 0 C--N 1.386 2.156 0 CA-C-O 122.363 1.078 . . . . 0.0 111.154 -177.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.41 -102.1 0.15 Allowed Glycine 0 C--N 1.397 3.935 0 N-CA-C 106.551 -2.62 . . . . 0.0 106.551 175.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.353 0.5 OUTLIER 77.6 -160.5 0.03 OUTLIER 'General case' 0 C--N 1.39 2.354 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 175.456 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 52.63 51.23 16.48 Favored 'General case' 0 C--N 1.386 2.167 0 N-CA-C 105.249 -2.13 . . . . 0.0 105.249 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 58.3 p -71.24 133.37 85.54 Favored Pre-proline 0 C--N 1.394 2.521 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 -175.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_exo -56.78 119.89 7.42 Favored 'Trans proline' 0 C--N 1.398 3.145 0 N-CA-C 109.376 -1.048 . . . . 0.0 109.376 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.439 HH11 ' HG3' ' A' ' 43' ' ' ARG . 33.6 tpt85 -87.62 64.29 7.99 Favored 'General case' 0 C--N 1.395 2.557 0 N-CA-C 105.783 -1.932 . . . . 0.0 105.783 179.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -109.38 40.64 2.48 Favored Glycine 0 C--N 1.387 3.41 0 N-CA-C 107.984 -2.046 . . . . 0.0 107.984 169.192 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.285 2.3 m-20 66.52 45.12 2.16 Favored 'General case' 0 C--N 1.385 2.147 0 C-N-CA 125.768 1.627 . . . . 0.0 108.413 -177.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.6 ttm -125.72 108.66 25.69 Favored Pre-proline 0 CA--C 1.586 2.343 0 N-CA-C 105.008 -2.219 . . . . 0.0 105.008 -179.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -79.29 179.18 6.64 Favored 'Trans proline' 0 C--N 1.399 3.204 0 N-CA-C 116.152 1.559 . . . . 0.0 116.152 -177.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -155.6 179.92 31.19 Favored Glycine 0 C--N 1.39 3.566 0 C-N-CA 119.656 -1.259 . . . . 0.0 114.43 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.403 ' HB2' ' HB2' ' A' ' 23' ' ' TYR 0.25 16.8 Cg_exo -52.51 171.07 0.22 Allowed 'Trans proline' 0 C--N 1.394 2.947 0 C-N-CA 122.602 2.201 . . . . 0.0 112.252 164.127 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . 0.34 29.9 p90 -81.23 126.76 31.92 Favored 'General case' 0 C--N 1.389 2.322 0 C-N-CA 116.071 -2.252 . . . . 0.0 105.6 176.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 43.1 t -119.26 132.87 55.97 Favored 'General case' 0 C--N 1.389 2.292 0 CA-C-O 122.423 1.106 . . . . 0.0 110.93 -166.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 9.9 t -120.53 161.1 21.87 Favored 'General case' 0 C--N 1.386 2.161 0 C-N-CA 124.494 1.118 . . . . 0.0 112.266 -178.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -129.61 50.97 2.11 Favored 'General case' 0 C--N 1.384 2.107 0 CA-C-O 121.9 0.857 . . . . 0.0 110.484 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.1 t -147.58 -174.36 4.52 Favored 'General case' 0 C--N 1.384 2.079 0 CA-C-O 122.076 0.941 . . . . 0.0 109.904 175.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.506 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 25.5 t0 -72.4 111.11 7.3 Favored 'General case' 0 CA--C 1.59 2.502 0 N-CA-C 107.07 -1.456 . . . . 0.0 107.07 -173.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.506 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.294 10.0 mptt 76.12 -72.52 0.1 Allowed 'General case' 0 C--N 1.4 2.782 0 C-N-CA 125.843 1.657 . . . . 0.0 110.977 176.042 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 43.5 m 66.15 63.0 0.57 Allowed 'General case' 0 C--N 1.38 1.894 0 C-N-CA 125.501 1.52 . . . . 0.0 107.701 -178.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 13.1 t30 62.74 79.53 0.26 Allowed 'General case' 0 C--N 1.389 2.285 0 N-CA-C 105.95 -1.87 . . . . 0.0 105.95 175.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.481 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 57.9 mt . . . . . 0 CA--C 1.595 2.699 0 C-N-CA 124.958 1.303 . . . . 0.0 108.427 177.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 1 N--CA 1.543 4.185 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.4 mp -107.69 133.61 51.95 Favored 'Isoleucine or valine' 0 C--N 1.387 2.204 0 CA-C-O 122.334 1.064 . . . . 0.0 109.464 -178.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 91.9 m -139.57 168.54 19.59 Favored 'General case' 0 C--N 1.385 2.145 0 CA-C-O 122.391 1.091 . . . . 0.0 109.081 163.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -78.78 145.19 34.49 Favored 'General case' 0 C--N 1.377 1.792 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.145 -177.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.6 p-10 -133.3 31.66 3.76 Favored 'General case' 0 C--N 1.386 2.184 0 O-C-N 121.242 -0.911 . . . . 0.0 110.86 174.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.196 1.8 m-70 -78.38 -168.41 1.33 Allowed 'General case' 0 C--N 1.385 2.141 0 C-N-CA 125.048 1.339 . . . . 0.0 114.222 -177.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 54.6 mt 69.86 -179.3 0.23 Allowed 'General case' 0 C--N 1.389 2.301 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 172.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.18 20.41 55.17 Favored Glycine 0 C--N 1.385 3.295 0 CA-C-O 117.186 -1.897 . . . . 0.0 113.816 -174.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.3 m 106.37 -37.54 0.01 OUTLIER 'General case' 0 C--N 1.393 2.462 0 C-N-CA 130.532 3.533 . . . . 0.0 110.115 176.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -84.96 162.17 50.47 Favored Pre-proline 0 C--N 1.383 2.047 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -177.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -71.51 164.72 34.78 Favored 'Trans proline' 0 C--N 1.4 3.284 0 N-CA-C 117.051 1.904 . . . . 0.0 117.051 -168.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.8 OUTLIER -53.32 142.54 56.82 Favored 'Trans proline' 0 C--N 1.395 3.01 0 C-N-CA 123.146 2.564 . . . . 0.0 116.059 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.265 70.6 p -167.08 155.23 9.6 Favored 'General case' 0 C--N 1.39 2.354 0 C-N-CA 125.205 1.402 . . . . 0.0 108.02 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.6 p -132.92 149.27 52.26 Favored 'General case' 0 C--N 1.38 1.912 0 CA-C-O 123.148 1.452 . . . . 0.0 109.035 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -111.84 87.03 2.46 Favored 'General case' 0 C--N 1.378 1.846 0 N-CA-C 105.689 -1.967 . . . . 0.0 105.689 -167.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.6 m -79.78 101.77 8.66 Favored 'General case' 0 C--N 1.392 2.447 0 N-CA-C 103.585 -2.746 . . . . 0.0 103.585 178.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 39.6 t -125.82 164.64 20.25 Favored 'General case' 0 C--N 1.39 2.334 0 CA-C-O 123.081 1.42 . . . . 0.0 114.732 -165.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -85.58 -23.2 27.72 Favored 'General case' 0 C--N 1.38 1.935 0 CA-C-N 113.555 -1.657 . . . . 0.0 113.321 -176.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -71.86 137.78 47.75 Favored 'General case' 0 C--N 1.388 2.257 0 CA-C-O 123.264 1.507 . . . . 0.0 109.195 -175.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.15 30.3 m-20 -46.4 -50.47 16.59 Favored 'General case' 0 C--N 1.384 2.095 0 C-N-CA 128.983 2.913 . . . . 0.0 111.063 -175.265 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.9 t -116.73 140.22 49.67 Favored 'General case' 0 C--N 1.381 1.946 0 CA-C-O 123.854 1.788 . . . . 0.0 109.986 -172.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.5 p -134.34 147.68 50.6 Favored 'General case' 0 C--N 1.383 2.025 0 CA-C-O 123.503 1.62 . . . . 0.0 109.853 177.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -122.12 165.94 15.31 Favored 'General case' 0 C--N 1.381 1.938 0 N-CA-C 116.661 2.097 . . . . 0.0 116.661 -160.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.463 ' NZ ' ' OXT' ' A' ' 59' ' ' LEU . 0.9 OUTLIER -114.49 116.07 28.26 Favored 'General case' 0 C--N 1.385 2.141 0 CA-C-N 112.83 -1.987 . . . . 0.0 106.675 -178.734 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.617 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 3.8 t30 -118.27 121.92 41.65 Favored 'General case' 0 C--N 1.382 1.991 0 N-CA-C 103.925 -2.62 . . . . 0.0 103.925 -179.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -132.51 -27.1 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.403 2.919 0 N-CA-C 117.649 2.463 . . . . 0.0 117.649 -154.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.617 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -69.1 -114.28 0.0 OUTLIER 'General case' 0 CA--C 1.603 2.985 1 C-N-CA 133.21 4.604 . . . . 0.0 108.52 173.399 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.1 t 81.8 154.12 0.11 Allowed 'General case' 0 C--N 1.396 2.62 0 C-N-CA 126.32 1.848 . . . . 0.0 112.613 178.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 16.5 p90 -69.09 -31.99 71.11 Favored 'General case' 0 C--N 1.397 2.642 0 O-C-N 121.611 -0.681 . . . . 0.0 110.811 176.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -76.93 -4.54 44.43 Favored 'General case' 0 CA--C 1.579 2.069 0 CA-C-O 117.504 -1.236 . . . . 0.0 111.315 173.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.4 t30 58.16 73.68 0.46 Allowed 'General case' 0 C--N 1.397 2.632 0 CA-C-N 121.97 2.168 . . . . 0.0 105.345 176.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.4 tp -158.56 153.67 5.64 Favored 'Isoleucine or valine' 0 C--N 1.389 2.29 0 C-N-CA 118.765 -1.174 . . . . 0.0 111.602 -170.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -89.22 121.72 39.69 Favored 'Isoleucine or valine' 0 C--N 1.39 2.35 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 175.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.51 HH11 ' HG2' ' A' ' 34' ' ' ARG . 7.1 ttp85 -163.36 95.59 0.84 Allowed 'General case' 0 C--N 1.387 2.209 0 N-CA-C 101.453 -3.536 . . . . 0.0 101.453 -173.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.56 HH11 ' HG2' ' A' ' 35' ' ' ARG . 11.9 ptt-85 -138.93 -169.71 2.7 Favored 'General case' 0 C--N 1.378 1.836 0 CA-C-N 111.505 -2.589 . . . . 0.0 112.005 -159.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 165.21 -165.3 37.68 Favored Glycine 0 C--N 1.394 3.751 0 C-N-CA 114.255 -3.831 . . . . 0.0 119.126 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.6 p -81.83 127.05 32.58 Favored 'General case' 0 C--N 1.393 2.488 0 CA-C-O 123.418 1.58 . . . . 0.0 110.982 -178.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.73 -75.62 0.04 OUTLIER Glycine 0 C--N 1.387 3.416 0 N-CA-C 103.963 -3.655 . . . . 0.0 103.963 171.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.478 ' SG ' ' N ' ' A' ' 40' ' ' PHE 2.426 52.6 t 72.0 -173.33 0.16 Allowed 'General case' 0 C--N 1.383 2.026 0 CA-C-N 112.165 -2.018 . . . . 0.0 113.167 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.478 ' N ' ' SG ' ' A' ' 39' ' ' CYS . 4.3 m-85 66.57 38.47 4.09 Favored 'General case' 0 CA--C 1.572 1.8 0 CA-C-N 113.474 -1.694 . . . . 0.0 110.351 170.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.5 t -106.89 111.73 63.64 Favored Pre-proline 0 C--N 1.389 2.319 0 N-CA-C 102.666 -3.087 . . . . 0.0 102.666 171.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.28 130.18 11.8 Favored 'Trans proline' 0 C--N 1.396 3.03 0 C-N-CA 121.907 1.738 . . . . 0.0 108.475 -175.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.503 HH11 ' HG3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -165.44 139.27 4.64 Favored 'General case' 0 C--N 1.394 2.517 0 C-N-CA 117.836 -1.546 . . . . 0.0 112.386 -177.484 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -84.05 -75.11 1.21 Allowed Glycine 0 C--N 1.391 3.601 1 N-CA-C 102.652 -4.179 . . . . 0.0 102.652 167.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.252 1.8 t0 -142.93 63.6 1.38 Allowed 'General case' 0 C--N 1.389 2.292 0 N-CA-C 104.007 -2.59 . . . . 0.0 104.007 164.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.0 ttm -102.28 165.1 14.44 Favored Pre-proline 0 C--N 1.385 2.146 0 C-N-CA 126.767 2.027 . . . . 0.0 109.293 176.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -58.75 152.53 56.06 Favored 'Trans proline' 0 C--N 1.398 3.135 0 CA-C-O 123.485 1.369 . . . . 0.0 113.575 -175.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 110.6 162.6 18.4 Favored Glycine 0 C--N 1.383 3.157 0 CA-C-N 113.564 -1.653 . . . . 0.0 109.864 -175.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -80.56 159.25 22.22 Favored 'Trans proline' 0 C--N 1.38 2.223 0 CA-C-O 123.078 1.199 . . . . 0.0 113.492 -175.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 3.4 p90 -82.2 142.82 31.85 Favored 'General case' 0 C--N 1.388 2.28 0 CA-C-N 113.757 -1.565 . . . . 0.0 108.161 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.7 m -127.93 152.6 47.68 Favored 'General case' 0 C--N 1.389 2.316 0 CA-C-O 123.859 1.79 . . . . 0.0 115.54 -172.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 8.7 t -126.03 164.41 20.91 Favored 'General case' 0 C--N 1.377 1.77 0 CA-C-N 112.117 -2.31 . . . . 0.0 108.444 170.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -127.21 34.07 4.79 Favored 'General case' 0 C--N 1.377 1.773 0 O-C-N 121.403 -0.811 . . . . 0.0 110.452 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.2 t -129.41 170.58 13.49 Favored 'General case' 0 C--N 1.378 1.825 0 C-N-CA 124.294 1.038 . . . . 0.0 110.208 178.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.481 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 43.3 t0 -76.65 122.05 24.12 Favored 'General case' 0 C--N 1.391 2.377 0 C-N-CA 117.816 -1.554 . . . . 0.0 108.039 -169.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.481 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 28.3 mmtm 74.11 -56.37 0.64 Allowed 'General case' 0 C--N 1.391 2.41 0 C-N-CA 126.448 1.899 . . . . 0.0 109.174 178.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 29.9 t 47.53 57.1 6.21 Favored 'General case' 0 C--N 1.382 2.018 0 C-N-CA 128.761 2.824 . . . . 0.0 106.694 176.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 69.6 71.09 0.24 Allowed 'General case' 0 C--N 1.388 2.258 0 C-N-CA 124.869 1.268 . . . . 0.0 109.018 171.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.463 ' OXT' ' NZ ' ' A' ' 24' ' ' LYS . 25.2 mt . . . . . 0 CA--C 1.61 3.282 0 C-N-CA 126.499 1.92 . . . . 0.0 114.9 164.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.532 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.533 3.715 0 N-CA-C 107.381 -1.34 . . . . 0.0 107.381 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 36.2 mt -90.05 131.24 37.81 Favored 'Isoleucine or valine' 0 C--N 1.392 2.415 0 CA-C-O 122.646 1.213 . . . . 0.0 108.93 -177.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 8.7 p -141.7 140.65 33.22 Favored 'General case' 0 C--N 1.381 1.972 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 167.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -75.84 -174.4 2.6 Favored 'General case' 0 C--N 1.394 2.537 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -167.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -155.22 47.15 0.52 Allowed 'General case' 0 C--N 1.387 2.223 0 N-CA-C 105.817 -1.919 . . . . 0.0 105.817 171.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.185 24.3 m170 -87.81 -144.61 0.13 Allowed 'General case' 0 C--N 1.388 2.257 0 C-N-CA 126.977 2.111 . . . . 0.0 110.688 178.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.29 5.3 mp 63.79 -179.13 0.16 Allowed 'General case' 0 C--N 1.386 2.181 0 CA-C-O 123.137 1.446 . . . . 0.0 111.405 179.127 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 79.8 -3.96 67.43 Favored Glycine 0 CA--C 1.57 3.489 0 CA-C-O 117.407 -1.774 . . . . 0.0 113.02 -172.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 67.2 m 107.22 -44.88 0.0 OUTLIER 'General case' 0 C--N 1.392 2.421 1 C-N-CA 132.209 4.204 . . . . 0.0 107.919 -176.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.488 ' NZ ' ' CG ' ' A' ' 30' ' ' ASP . 1.8 mptt -60.01 133.03 89.86 Favored Pre-proline 0 CA--C 1.602 2.947 0 C-N-CA 125.04 1.336 . . . . 0.0 108.833 179.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -103.31 -5.06 0.24 Allowed 'Trans proline' 1 C--N 1.415 4.064 0 N-CA-C 122.075 3.836 . . . . 0.0 122.075 -176.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_exo -90.81 -28.55 0.2 Allowed 'Trans proline' 0 C--N 1.408 3.708 1 N-CA-C 127.995 6.114 . . . . 0.0 127.995 -170.608 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.3 p -81.05 139.04 35.95 Favored 'General case' 0 C--N 1.392 2.421 0 CA-C-N 124.543 3.338 . . . . 0.0 115.261 -172.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 52.8 p -129.53 164.77 23.05 Favored 'General case' 0 CA--C 1.577 1.998 0 C-N-CA 128.954 2.902 . . . . 0.0 108.871 170.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 88.3 mt-10 -132.94 101.76 5.37 Favored 'General case' 0 C--N 1.388 2.267 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -176.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.3 m -79.38 104.27 9.88 Favored 'General case' 0 C--N 1.395 2.555 0 N-CA-C 102.777 -3.045 . . . . 0.0 102.777 170.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -121.91 148.9 44.16 Favored 'General case' 0 C--N 1.387 2.223 0 CA-C-O 123.034 1.397 . . . . 0.0 111.438 -170.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -105.9 -10.39 16.66 Favored 'General case' 0 C--N 1.374 1.665 0 CA-C-N 113.81 -1.541 . . . . 0.0 110.1 174.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -70.3 105.91 3.16 Favored 'General case' 0 C--N 1.399 2.731 0 N-CA-C 102.038 -3.319 . . . . 0.0 102.038 168.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 1' ' ' ARG 2.154 90.1 m-20 -52.46 0.64 0.01 OUTLIER 'General case' 0 C--N 1.387 2.217 1 C-N-CA 131.722 4.009 . . . . 0.0 117.168 -170.587 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 60.4 p -147.26 147.74 30.72 Favored 'General case' 0 C--N 1.38 1.898 0 CA-C-N 121.696 2.043 . . . . 0.0 107.71 175.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.4 p -140.57 151.76 44.96 Favored 'General case' 0 C--N 1.381 1.972 0 CA-C-O 123.797 1.76 . . . . 0.0 112.334 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -113.92 160.13 19.13 Favored 'General case' 0 C--N 1.379 1.873 0 CA-C-N 112.625 -2.08 . . . . 0.0 114.49 -164.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.46 ' NZ ' ' OXT' ' A' ' 59' ' ' LEU . 28.8 mttt -116.86 107.45 14.63 Favored 'General case' 0 C--N 1.378 1.82 0 N-CA-C 102.954 -2.98 . . . . 0.0 102.954 -177.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.445 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 0.4 OUTLIER -115.25 120.79 40.85 Favored 'General case' 0 CA--C 1.577 2.013 0 N-CA-C 102.965 -2.976 . . . . 0.0 102.965 -171.821 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -120.67 -12.21 9.24 Favored 'Isoleucine or valine' 0 C--N 1.395 2.579 0 N-CA-C 117.741 2.497 . . . . 0.0 117.741 -153.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.445 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -101.41 28.24 5.64 Favored 'General case' 0 CA--C 1.566 1.587 1 C-N-CA 135.998 5.719 . . . . 0.0 112.114 -178.018 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.94 178.66 7.28 Favored 'General case' 0 C--N 1.391 2.412 0 CA-C-N 121.69 2.041 . . . . 0.0 112.407 -176.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 -59.43 -43.9 92.99 Favored 'General case' 0 C--N 1.383 2.047 0 CA-C-N 114.956 -1.02 . . . . 0.0 110.001 -177.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.488 ' CG ' ' NZ ' ' A' ' 10' ' ' LYS . 65.8 m-20 -69.51 0.34 5.43 Favored 'General case' 0 CA--C 1.594 2.644 0 CA-C-O 117.729 -1.129 . . . . 0.0 110.19 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 60.08 74.04 0.46 Allowed 'General case' 0 C--N 1.4 2.763 0 N-CA-C 104.19 -2.522 . . . . 0.0 104.19 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.6 tp -167.06 166.08 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.399 2.75 0 C-N-CA 115.687 -2.405 . . . . 0.0 115.097 -162.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 19.7 mm -88.11 95.74 5.41 Favored 'Isoleucine or valine' 0 C--N 1.387 2.235 0 N-CA-C 104.282 -2.488 . . . . 0.0 104.282 172.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.553 HH11 ' HG2' ' A' ' 34' ' ' ARG . 10.8 ttp85 -145.9 127.85 15.48 Favored 'General case' 0 C--N 1.385 2.149 0 N-CA-C 103.974 -2.602 . . . . 0.0 103.974 -177.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.441 HH22 ' C ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -168.58 -165.79 0.61 Allowed 'General case' 0 C--N 1.399 2.755 0 C-N-CA 116.309 -2.156 . . . . 0.0 114.697 -146.189 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 169.53 -167.03 40.18 Favored Glycine 0 C--N 1.394 3.782 0 C-N-CA 115.022 -3.466 . . . . 0.0 117.203 -175.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 35.8 m -68.73 123.46 20.98 Favored 'General case' 0 C--N 1.388 2.277 0 CA-C-O 123.317 1.532 . . . . 0.0 111.027 -177.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.2 -111.59 0.26 Allowed Glycine 0 C--N 1.393 3.717 0 N-CA-C 105.185 -3.166 . . . . 0.0 105.185 170.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.405 22.2 t 75.59 -42.09 0.46 Allowed 'General case' 0 C--N 1.391 2.411 0 C-N-CA 124.693 1.197 . . . . 0.0 112.515 173.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -76.88 59.01 1.55 Allowed 'General case' 0 CA--C 1.591 2.529 0 N-CA-C 103.419 -2.808 . . . . 0.0 103.419 172.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 49.5 p -73.87 132.06 80.81 Favored Pre-proline 0 C--N 1.397 2.653 0 C-N-CA 125.066 1.346 . . . . 0.0 109.485 -171.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -75.76 95.53 1.02 Allowed 'Trans proline' 0 C--N 1.399 3.236 0 N-CA-C 105.304 -2.614 . . . . 0.0 105.304 173.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.499 HH11 ' HG3' ' A' ' 43' ' ' ARG . 0.8 OUTLIER -96.32 105.55 17.63 Favored 'General case' 0 C--N 1.388 2.261 0 CA-C-O 121.707 0.765 . . . . 0.0 109.685 -176.417 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.06 58.47 4.76 Favored Glycine 0 C--N 1.392 3.681 0 N-CA-C 107.027 -2.429 . . . . 0.0 107.027 168.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.32 0.8 OUTLIER 51.71 53.95 11.81 Favored 'General case' 0 C--N 1.386 2.195 0 N-CA-C 106.166 -1.79 . . . . 0.0 106.166 -174.159 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.2 tpt -145.44 121.37 5.87 Favored Pre-proline 0 CA--C 1.584 2.281 0 N-CA-C 105.906 -1.887 . . . . 0.0 105.906 -176.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -56.91 166.04 4.35 Favored 'Trans proline' 0 C--N 1.4 3.27 0 C-N-CA 124.105 3.204 . . . . 0.0 119.923 -179.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -154.53 -176.53 26.92 Favored Glycine 0 C--N 1.389 3.521 0 CA-C-N 113.496 -1.684 . . . . 0.0 112.089 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -64.98 153.71 76.91 Favored 'Trans proline' 0 C--N 1.39 2.752 0 CA-C-O 122.978 1.158 . . . . 0.0 114.179 178.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 18.3 p90 -86.08 135.09 33.76 Favored 'General case' 0 C--N 1.382 2.003 0 CA-C-N 113.501 -1.682 . . . . 0.0 107.307 179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 28.6 p -126.66 169.78 12.78 Favored 'General case' 0 C--N 1.389 2.318 0 N-CA-C 116.957 2.206 . . . . 0.0 116.957 -173.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.1 t -130.37 157.05 43.65 Favored 'General case' 0 C--N 1.377 1.791 0 CA-C-N 111.532 -2.576 . . . . 0.0 109.676 177.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . 0.26 2.5 pt-20 -132.24 59.72 1.71 Allowed 'General case' 0 C--N 1.378 1.833 0 N-CA-C 106.236 -1.764 . . . . 0.0 106.236 174.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.6 t -149.79 155.13 39.58 Favored 'General case' 0 C--N 1.385 2.143 0 CA-C-N 113.715 -1.584 . . . . 0.0 108.323 177.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.466 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 31.7 t70 -67.47 119.28 12.02 Favored 'General case' 0 C--N 1.39 2.341 0 CA-C-O 122.286 1.041 . . . . 0.0 109.175 -173.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.466 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 33.3 mmtm 73.28 -56.61 0.65 Allowed 'General case' 0 C--N 1.392 2.443 0 C-N-CA 127.849 2.46 . . . . 0.0 109.272 177.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.3 t 64.16 50.74 2.34 Favored 'General case' 0 C--N 1.382 1.988 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 173.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.306 57.4 m-20 75.22 -3.36 2.62 Favored 'General case' 0 C--N 1.388 2.264 0 C-N-CA 127.281 2.233 . . . . 0.0 113.347 177.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.46 ' OXT' ' NZ ' ' A' ' 24' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.394 2.522 0 N-CA-C 103.314 -2.847 . . . . 0.0 103.314 173.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.448 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.535 3.791 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.6 mm -93.08 121.17 43.55 Favored 'Isoleucine or valine' 0 C--N 1.388 2.281 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 174.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.3 m -127.88 178.72 5.97 Favored 'General case' 0 C--N 1.385 2.141 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 161.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -89.5 153.89 20.45 Favored 'General case' 0 C--N 1.381 1.973 0 O-C-N 121.442 -0.786 . . . . 0.0 111.82 -179.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -151.65 65.53 0.87 Allowed 'General case' 0 C--N 1.384 2.102 0 N-CA-C 102.508 -3.145 . . . . 0.0 102.508 167.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.152 11.2 m170 -105.49 -172.26 2.06 Favored 'General case' 0 C--N 1.382 2.003 0 C-N-CA 129.349 3.059 . . . . 0.0 112.141 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.272 25.5 mt 67.89 -169.39 0.19 Allowed 'General case' 0 C--N 1.375 1.702 0 CA-C-O 123.277 1.513 . . . . 0.0 113.421 173.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 73.59 47.6 20.67 Favored Glycine 0 C--N 1.382 3.09 0 N-CA-C 107.769 -2.133 . . . . 0.0 107.769 -168.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 33.4 m 87.53 -30.07 0.05 OUTLIER 'General case' 0 C--N 1.394 2.533 0 C-N-CA 130.175 3.39 . . . . 0.0 111.063 -178.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -113.47 110.24 50.39 Favored Pre-proline 0 CA--C 1.594 2.658 0 C-N-CA 124.501 1.12 . . . . 0.0 108.194 -169.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -90.37 -3.01 5.25 Favored 'Trans proline' 0 CA--C 1.6 3.807 0 N-CA-C 122.493 3.997 . . . . 0.0 122.493 -174.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -82.58 -16.77 7.77 Favored 'Trans proline' 0 C--N 1.403 3.403 1 N-CA-C 130.042 6.901 . . . . 0.0 130.042 -172.114 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.5 p -101.26 157.23 16.94 Favored 'General case' 0 C--N 1.389 2.295 1 CA-C-N 126.405 4.184 . . . . 0.0 116.721 -174.32 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 73.7 p -127.58 146.87 50.38 Favored 'General case' 0 C--N 1.376 1.74 0 CA-C-N 112.935 -1.938 . . . . 0.0 107.947 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -92.45 87.31 5.94 Favored 'General case' 0 C--N 1.375 1.682 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 -175.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.7 t -74.14 121.34 21.02 Favored 'General case' 0 C--N 1.394 2.522 0 N-CA-C 104.215 -2.513 . . . . 0.0 104.215 169.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 12.6 t -153.05 152.64 31.58 Favored 'General case' 0 C--N 1.39 2.36 0 CA-C-O 122.981 1.372 . . . . 0.0 112.801 -165.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -95.34 -5.47 43.33 Favored 'General case' 0 C--N 1.376 1.74 0 CA-C-N 113.132 -1.849 . . . . 0.0 110.951 174.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -74.11 109.35 7.54 Favored 'General case' 0 C--N 1.396 2.6 0 N-CA-C 102.329 -3.212 . . . . 0.0 102.329 178.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.18 69.1 m-20 -60.57 7.13 0.03 OUTLIER 'General case' 0 C--N 1.389 2.317 0 C-N-CA 129.607 3.163 . . . . 0.0 117.764 -165.267 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.8 m -158.06 145.13 17.96 Favored 'General case' 0 C--N 1.377 1.785 0 CA-C-N 121.704 2.047 . . . . 0.0 105.957 178.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.338 26.7 p -139.74 151.19 45.63 Favored 'General case' 0 C--N 1.386 2.162 0 CA-C-O 123.625 1.679 . . . . 0.0 113.688 -173.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 40.2 p90 -123.26 145.79 48.39 Favored 'General case' 0 C--N 1.387 2.207 0 CA-C-N 112.921 -1.945 . . . . 0.0 113.994 -158.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.568 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 55.3 mttm -92.18 139.98 30.08 Favored 'General case' 0 C--N 1.387 2.211 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 176.181 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.424 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 2.1 t30 -147.36 123.52 10.83 Favored 'General case' 0 C--N 1.379 1.888 0 N-CA-C 104.509 -2.404 . . . . 0.0 104.509 -169.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -132.76 -7.23 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.401 2.818 0 N-CA-C 117.926 2.565 . . . . 0.0 117.926 -150.034 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.507 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -104.81 -94.79 0.34 Allowed 'General case' 0 CA--C 1.576 1.943 1 C-N-CA 134.132 4.973 . . . . 0.0 106.272 -173.31 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.2 t 78.2 -5.66 2.05 Favored 'General case' 0 C--N 1.389 2.288 0 C-N-CA 125.562 1.545 . . . . 0.0 113.058 173.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . 0.278 83.5 m-85 88.91 -38.73 0.02 OUTLIER 'General case' 0 C--N 1.389 2.322 0 CA-C-N 121.987 2.176 . . . . 0.0 111.107 179.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.2 p-10 -81.37 -10.29 59.57 Favored 'General case' 0 CA--C 1.576 1.964 0 C-N-CA 124.907 1.283 . . . . 0.0 111.103 172.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 77.79 75.57 0.07 Allowed 'General case' 0 C--N 1.394 2.539 0 C-N-CA 126.818 2.047 . . . . 0.0 107.456 173.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.5 tp -163.69 157.75 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.394 2.529 0 C-N-CA 117.828 -1.549 . . . . 0.0 113.348 -176.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 22.5 mm -88.44 102.01 12.33 Favored 'Isoleucine or valine' 0 C--N 1.392 2.423 0 N-CA-C 105.473 -2.047 . . . . 0.0 105.473 175.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.429 HH11 ' HG2' ' A' ' 34' ' ' ARG . 0.3 OUTLIER -151.58 110.92 3.94 Favored 'General case' 0 C--N 1.385 2.111 0 N-CA-C 101.59 -3.485 . . . . 0.0 101.59 -176.752 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.66 -166.89 2.61 Favored 'General case' 0 C--N 1.381 1.965 0 CA-C-N 111.379 -2.646 . . . . 0.0 111.726 -155.012 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 177.04 -173.94 46.68 Favored Glycine 0 C--N 1.395 3.842 1 C-N-CA 112.999 -4.429 . . . . 0.0 119.229 -175.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 31.2 p -84.71 122.28 28.86 Favored 'General case' 0 C--N 1.392 2.418 0 CA-C-O 123.376 1.56 . . . . 0.0 108.185 175.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -164.36 -87.14 0.06 OUTLIER Glycine 0 C--N 1.387 3.394 0 N-CA-C 103.246 -3.942 . . . . 0.0 103.246 175.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.381 42.9 t 79.49 -48.92 0.39 Allowed 'General case' 0 C--N 1.384 2.098 0 CA-C-O 121.779 0.799 . . . . 0.0 110.179 177.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -89.38 71.94 8.07 Favored 'General case' 0 C--N 1.38 1.909 0 N-CA-C 102.57 -3.122 . . . . 0.0 102.57 -175.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.9 t -110.86 126.43 28.76 Favored Pre-proline 0 C--N 1.395 2.545 0 C-N-CA 124.701 1.2 . . . . 0.0 108.251 -177.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -69.19 153.74 71.09 Favored 'Trans proline' 0 C--N 1.39 2.732 0 C-N-CA 120.818 1.012 . . . . 0.0 110.79 171.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 9.9 ttp85 -95.34 89.38 5.44 Favored 'General case' 0 C--N 1.388 2.257 0 N-CA-C 101.305 -3.591 . . . . 0.0 101.305 175.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -83.82 44.01 3.25 Favored Glycine 0 C--N 1.39 3.573 0 CA-C-O 119.008 -0.884 . . . . 0.0 111.082 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.259 11.3 m-20 54.85 53.7 10.08 Favored 'General case' 0 C--N 1.384 2.089 0 N-CA-C 105.13 -2.174 . . . . 0.0 105.13 -176.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.8 tpt -159.41 122.28 1.96 Allowed Pre-proline 0 C--N 1.388 2.243 0 N-CA-C 102.825 -3.028 . . . . 0.0 102.825 -174.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_exo -61.33 130.89 33.77 Favored 'Trans proline' 0 C--N 1.396 3.031 0 CA-C-N 119.86 0.986 . . . . 0.0 111.305 -176.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.57 170.02 41.81 Favored Glycine 0 C--N 1.39 3.528 0 CA-C-O 122.277 0.932 . . . . 0.0 112.733 178.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -69.52 178.19 4.67 Favored 'Trans proline' 0 C--N 1.383 2.356 0 O-C-N 123.442 1.233 . . . . 0.0 109.797 171.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -123.1 137.3 54.96 Favored 'General case' 0 C--N 1.384 2.106 0 CA-C-O 121.663 0.744 . . . . 0.0 109.977 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 2.7 m -118.74 168.23 10.93 Favored 'General case' 0 C--N 1.398 2.717 0 N-CA-C 119.187 3.032 . . . . 0.0 119.187 -160.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 13.5 t -141.36 154.39 45.63 Favored 'General case' 0 C--N 1.377 1.783 0 CA-C-N 110.271 -3.149 . . . . 0.0 107.715 177.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -119.29 50.27 1.25 Allowed 'General case' 0 C--N 1.376 1.76 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.8 t -137.18 175.32 9.72 Favored 'General case' 0 C--N 1.385 2.117 0 CA-C-N 115.289 -0.869 . . . . 0.0 112.131 -175.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.519 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 33.0 t0 -84.91 119.51 25.44 Favored 'General case' 0 CA--C 1.579 2.071 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 -178.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.519 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.306 1.0 OUTLIER 74.54 -67.0 0.27 Allowed 'General case' 0 C--N 1.393 2.498 0 C-N-CA 126.735 2.014 . . . . 0.0 109.101 -177.932 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.275 10.7 t 78.39 27.96 0.49 Allowed 'General case' 0 CA--C 1.582 2.201 0 C-N-CA 126.976 2.11 . . . . 0.0 110.654 178.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.5 m120 58.82 71.85 0.56 Allowed 'General case' 0 C--N 1.392 2.434 0 N-CA-C 107.431 -1.322 . . . . 0.0 107.431 172.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.568 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 16.8 tp . . . . . 0 CA--C 1.588 2.406 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 177.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.53 3.527 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.0 mp -103.43 117.86 49.56 Favored 'Isoleucine or valine' 0 C--N 1.388 2.266 0 N-CA-C 107.035 -1.468 . . . . 0.0 107.035 -178.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 9.2 m -138.84 147.49 42.54 Favored 'General case' 0 C--N 1.387 2.203 0 CA-C-O 122.875 1.321 . . . . 0.0 107.774 172.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -68.61 149.08 49.57 Favored 'General case' 0 C--N 1.383 2.033 0 CA-C-N 115.315 -0.857 . . . . 0.0 113.272 -164.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -142.05 43.06 1.68 Allowed 'General case' 0 C--N 1.388 2.247 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 177.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.218 8.5 m170 -83.06 -144.07 0.07 Allowed 'General case' 0 C--N 1.386 2.181 0 C-N-CA 125.217 1.407 . . . . 0.0 107.917 174.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.319 5.6 mp 66.6 -179.87 0.21 Allowed 'General case' 0 C--N 1.389 2.291 0 O-C-N 120.838 -1.164 . . . . 0.0 113.524 174.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.404 ' H ' HG12 ' A' ' 32' ' ' ILE . . . 88.92 -63.7 3.47 Favored Glycine 0 C--N 1.389 3.478 0 N-CA-C 108.01 -2.036 . . . . 0.0 108.01 -169.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.6 m -165.46 -50.37 0.03 OUTLIER 'General case' 0 C--N 1.379 1.887 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -82.8 133.79 48.31 Favored Pre-proline 0 CA--C 1.591 2.552 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.173 -176.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -102.65 -6.42 0.24 Allowed 'Trans proline' 1 C--N 1.415 4.057 0 N-CA-C 119.442 2.824 . . . . 0.0 119.442 178.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -75.65 -20.72 15.35 Favored 'Trans proline' 0 C--N 1.402 3.388 1 N-CA-C 125.785 5.263 . . . . 0.0 125.785 -173.832 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.7 p -95.06 154.04 17.36 Favored 'General case' 0 C--N 1.393 2.481 0 CA-C-N 124.958 3.526 . . . . 0.0 114.677 -176.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 67.5 p -131.03 143.27 50.58 Favored 'General case' 0 C--N 1.375 1.708 0 CA-C-N 112.76 -2.018 . . . . 0.0 107.62 174.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -88.74 92.84 9.36 Favored 'General case' 0 C--N 1.384 2.098 0 N-CA-C 105.094 -2.188 . . . . 0.0 105.094 -171.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 69.7 m -83.75 101.32 11.5 Favored 'General case' 0 C--N 1.39 2.337 0 N-CA-C 103.421 -2.807 . . . . 0.0 103.421 -178.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 48.0 t -139.18 161.28 37.79 Favored 'General case' 0 C--N 1.393 2.483 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -165.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.83 -11.32 45.12 Favored 'General case' 0 C--N 1.384 2.069 0 CA-C-N 114.187 -1.37 . . . . 0.0 113.121 -177.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -70.01 123.9 22.71 Favored 'General case' 0 C--N 1.391 2.394 0 N-CA-C 104.465 -2.42 . . . . 0.0 104.465 -179.29 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.095 15.9 m-20 -46.8 -34.47 5.32 Favored 'General case' 0 C--N 1.385 2.115 0 C-N-CA 128.988 2.915 . . . . 0.0 114.068 -175.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.5 m -121.94 172.22 8.36 Favored 'General case' 0 C--N 1.379 1.891 0 C-N-CA 124.89 1.276 . . . . 0.0 111.944 -175.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.2 p -150.37 159.36 44.52 Favored 'General case' 0 C--N 1.385 2.146 0 C-N-CA 117.627 -1.629 . . . . 0.0 112.951 176.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -124.76 154.8 40.35 Favored 'General case' 0 C--N 1.376 1.741 0 CA-C-N 113.62 -1.627 . . . . 0.0 114.629 -167.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.553 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 64.5 mmtt -108.23 115.11 29.51 Favored 'General case' 0 C--N 1.387 2.196 0 N-CA-C 104.685 -2.339 . . . . 0.0 104.685 176.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.466 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 0.6 OUTLIER -119.21 119.9 35.47 Favored 'General case' 0 CA--C 1.58 2.102 0 N-CA-C 103.852 -2.647 . . . . 0.0 103.852 -175.545 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -135.1 9.64 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.402 2.89 0 N-CA-C 117.105 2.261 . . . . 0.0 117.105 -152.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.501 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -104.06 -109.46 0.26 Allowed 'General case' 0 CA--C 1.594 2.663 0 C-N-CA 131.425 3.89 . . . . 0.0 106.515 -172.478 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.5 t 75.51 162.25 0.25 Allowed 'General case' 0 C--N 1.392 2.423 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 173.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -71.19 -46.47 61.21 Favored 'General case' 0 C--N 1.391 2.373 0 CA-C-N 114.746 -1.116 . . . . 0.0 109.471 175.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -63.59 -6.12 4.86 Favored 'General case' 0 CA--C 1.581 2.17 0 CA-C-O 116.334 -1.793 . . . . 0.0 112.019 176.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 65.64 76.03 0.33 Allowed 'General case' 0 C--N 1.401 2.836 0 CA-C-N 123.333 2.788 . . . . 0.0 104.948 174.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.404 HG12 ' H ' ' A' ' 8' ' ' GLY . 2.9 tp -167.52 167.43 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.401 2.829 0 C-N-CA 116.019 -2.272 . . . . 0.0 115.55 -166.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.5 mt -103.74 100.55 10.69 Favored 'Isoleucine or valine' 0 C--N 1.392 2.433 0 N-CA-C 105.945 -1.872 . . . . 0.0 105.945 173.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.8 ttp85 -140.75 117.32 10.86 Favored 'General case' 0 C--N 1.382 1.99 0 N-CA-C 103.083 -2.932 . . . . 0.0 103.083 -177.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.418 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -157.87 -169.43 2.83 Favored 'General case' 0 C--N 1.389 2.31 0 CA-C-N 113.718 -1.583 . . . . 0.0 112.72 -156.801 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 169.57 -166.91 40.08 Favored Glycine 0 C--N 1.394 3.758 1 C-N-CA 113.348 -4.263 . . . . 0.0 118.888 -172.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.1 p -70.22 124.12 23.35 Favored 'General case' 0 C--N 1.392 2.421 0 CA-C-O 122.892 1.33 . . . . 0.0 110.985 -177.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.41 -94.0 0.09 OUTLIER Glycine 0 C--N 1.392 3.673 0 N-CA-C 106.006 -2.838 . . . . 0.0 106.006 171.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.421 ' O ' ' SG ' ' A' ' 39' ' ' CYS 2.382 34.4 t 85.02 -47.52 0.08 Allowed 'General case' 0 C--N 1.383 2.038 0 C-N-CA 125.563 1.545 . . . . 0.0 111.188 179.289 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -82.78 86.78 6.84 Favored 'General case' 0 CA--C 1.574 1.887 0 N-CA-C 101.036 -3.69 . . . . 0.0 101.036 -175.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.7 t -120.35 90.7 45.53 Favored Pre-proline 0 C--N 1.394 2.531 0 N-CA-C 105.851 -1.907 . . . . 0.0 105.851 -169.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -92.47 100.44 0.18 Allowed 'Trans proline' 0 C--N 1.395 3.024 0 N-CA-C 106.279 -2.239 . . . . 0.0 106.279 -172.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.9 tpt180 -168.75 120.54 0.78 Allowed 'General case' 0 C--N 1.394 2.532 0 C-N-CA 117.903 -1.519 . . . . 0.0 109.156 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -98.76 -27.89 8.17 Favored Glycine 0 C--N 1.394 3.804 0 CA-C-O 116.916 -2.047 . . . . 0.0 114.053 177.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -93.28 29.85 1.82 Allowed 'General case' 0 C--N 1.39 2.356 0 CA-C-N 121.517 2.658 . . . . 0.0 111.628 179.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 27.4 ttp -174.48 92.61 0.31 Allowed Pre-proline 0 C--N 1.38 1.893 1 N-CA-C 99.795 -4.15 . . . . 0.0 99.795 168.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -53.89 127.88 27.4 Favored 'Trans proline' 0 C--N 1.394 2.945 0 N-CA-C 108.337 -1.447 . . . . 0.0 108.337 174.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -75.78 -179.92 46.04 Favored Glycine 0 C--N 1.389 3.521 0 C-N-CA 119.99 -1.1 . . . . 0.0 115.062 -178.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -56.27 168.12 2.21 Favored 'Trans proline' 0 C--N 1.387 2.585 0 C-N-CA 121.677 1.585 . . . . 0.0 114.938 175.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -96.23 154.68 17.12 Favored 'General case' 0 C--N 1.382 1.982 0 CA-C-N 113.652 -1.613 . . . . 0.0 107.323 173.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 15.2 m -138.49 157.69 45.7 Favored 'General case' 0 C--N 1.392 2.426 0 N-CA-C 117.939 2.57 . . . . 0.0 117.939 -165.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 23.9 t -119.32 169.1 10.29 Favored 'General case' 0 C--N 1.374 1.641 0 CA-C-N 109.947 -3.297 . . . . 0.0 109.559 172.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -143.76 37.75 1.32 Allowed 'General case' 0 C--N 1.381 1.94 0 C-N-CA 118.305 -1.358 . . . . 0.0 112.0 -178.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.9 p -135.88 174.6 10.43 Favored 'General case' 0 C--N 1.379 1.865 0 C-N-CA 124.036 0.934 . . . . 0.0 111.261 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.513 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 24.6 t0 -68.57 130.56 43.21 Favored 'General case' 0 CA--C 1.585 2.307 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 171.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.513 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 39.9 mmtm 74.04 -83.75 0.03 OUTLIER 'General case' 0 C--N 1.39 2.348 0 C-N-CA 126.326 1.85 . . . . 0.0 112.224 171.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 32.1 p 51.58 68.08 0.86 Allowed 'General case' 0 C--N 1.383 2.038 0 C-N-CA 128.771 2.828 . . . . 0.0 109.395 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 52.1 m-80 66.47 53.93 0.93 Allowed 'General case' 0 C--N 1.386 2.166 0 O-C-N 121.844 -0.535 . . . . 0.0 110.363 168.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.553 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 6.6 tp . . . . . 0 CA--C 1.585 2.301 0 CA-C-O 116.921 -1.514 . . . . 0.0 108.608 164.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.485 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.53 3.525 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -84.79 121.93 37.47 Favored 'Isoleucine or valine' 0 C--N 1.387 2.202 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 -179.364 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.6 m -127.11 161.7 27.83 Favored 'General case' 0 C--N 1.391 2.375 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 162.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -75.97 165.09 25.48 Favored 'General case' 0 C--N 1.381 1.957 0 N-CA-C 115.101 1.519 . . . . 0.0 115.101 -169.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 49.8 p-10 -142.93 22.85 1.92 Allowed 'General case' 0 C--N 1.392 2.422 0 C-N-CA 119.381 -0.927 . . . . 0.0 110.468 168.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.215 85.2 m-70 -63.93 179.45 0.52 Allowed 'General case' 0 C--N 1.391 2.389 0 C-N-CA 126.227 1.811 . . . . 0.0 114.218 -176.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.311 62.7 mt 75.73 -172.23 0.1 Allowed 'General case' 0 C--N 1.381 1.956 0 C-N-CA 125.381 1.473 . . . . 0.0 114.029 176.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.72 -113.24 3.96 Favored Glycine 0 C--N 1.383 3.186 0 N-CA-C 105.62 -2.992 . . . . 0.0 105.62 -165.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.8 m -82.14 -44.11 16.89 Favored 'General case' 0 C--N 1.382 2.006 0 O-C-N 121.722 -0.869 . . . . 0.0 110.674 -179.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.5 tttm -98.38 140.93 22.17 Favored Pre-proline 0 C--N 1.389 2.284 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -169.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -63.88 168.76 11.43 Favored 'Trans proline' 0 C--N 1.402 3.363 0 C-N-CA 121.627 1.552 . . . . 0.0 113.966 166.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -32.13 132.39 0.08 OUTLIER 'Trans proline' 0 C--N 1.391 2.774 1 C-N-CA 125.65 4.234 . . . . 0.0 115.701 -176.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 174.2 157.31 0.14 Allowed 'General case' 0 CA--C 1.587 2.39 0 C-N-CA 129.28 3.032 . . . . 0.0 105.481 -179.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 53.3 p -137.85 169.26 18.09 Favored 'General case' 0 C--N 1.39 2.333 0 N-CA-C 115.477 1.658 . . . . 0.0 115.477 -159.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -111.3 105.49 14.16 Favored 'General case' 0 C--N 1.384 2.108 0 CA-C-O 122.638 1.208 . . . . 0.0 107.954 -173.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.6 m -79.37 121.33 25.01 Favored 'General case' 0 C--N 1.39 2.351 0 N-CA-C 105.446 -2.057 . . . . 0.0 105.446 176.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.3 t -147.38 148.25 31.13 Favored 'General case' 0 C--N 1.393 2.495 0 CA-C-O 123.49 1.614 . . . . 0.0 112.199 -173.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . 0.258 3.0 mp0 -98.14 -2.8 39.15 Favored 'General case' 0 CA--C 1.571 1.77 0 CA-C-N 113.201 -1.818 . . . . 0.0 111.161 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -66.13 119.04 10.73 Favored 'General case' 0 C--N 1.404 2.952 0 N-CA-C 102.644 -3.095 . . . . 0.0 102.644 163.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.109 50.8 m-20 -65.91 4.86 0.56 Allowed 'General case' 0 C--N 1.388 2.257 0 C-N-CA 129.643 3.177 . . . . 0.0 115.835 -172.379 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.2 t -146.68 129.81 16.5 Favored 'General case' 0 C--N 1.375 1.714 0 N-CA-C 103.554 -2.758 . . . . 0.0 103.554 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 26.5 p -140.25 147.55 40.16 Favored 'General case' 0 C--N 1.38 1.917 0 CA-C-O 123.736 1.731 . . . . 0.0 110.449 -178.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -130.77 166.67 20.29 Favored 'General case' 0 C--N 1.383 2.037 0 N-CA-C 116.715 2.117 . . . . 0.0 116.715 -158.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.414 ' NZ ' ' O ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -106.46 125.81 51.47 Favored 'General case' 0 C--N 1.38 1.898 0 CA-C-N 110.522 -3.035 . . . . 0.0 106.766 179.45 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.527 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 3.7 t30 -133.39 124.09 26.52 Favored 'General case' 0 C--N 1.382 1.98 0 N-CA-C 105.589 -2.004 . . . . 0.0 105.589 -169.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.85 -5.71 2.3 Favored 'Isoleucine or valine' 0 C--N 1.401 2.824 0 N-CA-C 118.1 2.63 . . . . 0.0 118.1 -152.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.527 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -96.66 -88.62 0.28 Allowed 'General case' 0 CA--C 1.577 1.995 1 C-N-CA 136.349 5.859 . . . . 0.0 106.746 179.015 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.5 t 86.59 -66.61 0.03 OUTLIER 'General case' 0 C--N 1.39 2.359 0 C-N-CA 127.444 2.298 . . . . 0.0 107.598 177.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 57.9 t80 160.34 -46.4 0.0 OUTLIER 'General case' 0 C--N 1.383 2.051 0 C-N-CA 127.564 2.346 . . . . 0.0 104.818 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -71.28 -16.06 62.45 Favored 'General case' 0 C--N 1.385 2.11 0 C-N-CA 126.229 1.812 . . . . 0.0 113.261 174.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 71.4 m-80 79.89 83.2 0.05 Allowed 'General case' 0 C--N 1.39 2.353 0 C-N-CA 126.779 2.032 . . . . 0.0 106.94 176.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.2 tp -171.77 164.11 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.39 2.366 0 C-N-CA 119.476 -0.89 . . . . 0.0 111.066 -175.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.5 mp -98.09 95.75 4.67 Favored 'Isoleucine or valine' 0 C--N 1.39 2.354 0 N-CA-C 106.657 -1.608 . . . . 0.0 106.657 -179.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.57 114.37 9.39 Favored 'General case' 0 C--N 1.383 2.054 0 N-CA-C 103.024 -2.954 . . . . 0.0 103.024 -176.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 2.3 ptt-85 -145.9 -168.98 3.13 Favored 'General case' 0 C--N 1.385 2.123 0 CA-C-N 112.886 -1.961 . . . . 0.0 114.116 -155.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 173.81 -166.21 38.32 Favored Glycine 0 C--N 1.394 3.772 0 C-N-CA 115.027 -3.463 . . . . 0.0 117.208 -174.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.4 p -92.87 129.89 38.64 Favored 'General case' 0 C--N 1.39 2.332 0 CA-C-O 123.716 1.722 . . . . 0.0 112.006 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.92 -76.86 0.04 OUTLIER Glycine 0 C--N 1.389 3.483 0 N-CA-C 103.515 -3.834 . . . . 0.0 103.515 171.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.372 46.5 t 70.49 -157.62 0.14 Allowed 'General case' 0 C--N 1.388 2.244 0 CA-C-O 122.405 1.098 . . . . 0.0 113.2 175.227 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 57.07 58.43 3.98 Favored 'General case' 0 C--N 1.384 2.098 0 CA-C-N 113.95 -1.477 . . . . 0.0 107.399 172.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.8 t -124.81 106.86 28.99 Favored Pre-proline 0 C--N 1.396 2.602 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -175.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_exo -88.3 102.9 0.45 Allowed 'Trans proline' 0 C--N 1.399 3.194 0 N-CA-C 105.088 -2.697 . . . . 0.0 105.088 177.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.449 HH11 ' HG2' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -129.74 157.49 42.01 Favored 'General case' 0 C--N 1.387 2.208 0 O-C-N 121.142 -0.974 . . . . 0.0 112.408 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -104.07 -78.49 1.25 Allowed Glycine 0 C--N 1.39 3.555 0 N-CA-C 104.952 -3.259 . . . . 0.0 104.952 175.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.297 21.3 t70 -140.78 63.6 1.45 Allowed 'General case' 0 C--N 1.388 2.246 0 N-CA-C 105.166 -2.161 . . . . 0.0 105.166 165.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.8 ttt -114.55 123.65 31.91 Favored Pre-proline 0 C--N 1.386 2.19 0 N-CA-C 104.614 -2.365 . . . . 0.0 104.614 169.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -32.68 114.64 0.07 OUTLIER 'Trans proline' 0 C--N 1.394 2.963 0 C-N-CA 124.94 3.76 . . . . 0.0 112.474 178.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -164.95 141.86 7.35 Favored Glycine 0 C--N 1.387 3.416 0 N-CA-C 106.704 -2.558 . . . . 0.0 106.704 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -66.76 165.86 24.31 Favored 'Trans proline' 0 C--N 1.383 2.361 0 CA-C-O 122.553 0.98 . . . . 0.0 110.856 177.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 39.2 p90 -101.56 137.93 39.23 Favored 'General case' 0 C--N 1.384 2.094 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 178.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 2.8 m -128.85 164.47 23.01 Favored 'General case' 0 C--N 1.395 2.558 0 N-CA-C 117.542 2.423 . . . . 0.0 117.542 -163.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 2.9 t -131.37 162.67 29.59 Favored 'General case' 0 C--N 1.378 1.815 0 CA-C-N 111.773 -2.467 . . . . 0.0 109.905 173.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -125.89 38.02 4.23 Favored 'General case' 0 C--N 1.38 1.912 0 CA-C-O 122.041 0.924 . . . . 0.0 108.886 171.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.45 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 0.4 OUTLIER -130.79 -172.98 2.95 Favored 'General case' 0 C--N 1.385 2.143 0 C-N-CA 125.644 1.578 . . . . 0.0 111.202 -178.333 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.453 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 37.1 t70 -84.18 106.34 15.73 Favored 'General case' 0 CA--C 1.576 1.981 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 -176.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.453 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.272 11.5 mptt 73.19 -60.34 0.54 Allowed 'General case' 0 C--N 1.396 2.63 0 C-N-CA 126.154 1.782 . . . . 0.0 111.556 176.356 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.45 ' SG ' ' HB3' ' A' ' 54' ' ' SER 0.262 3.4 m 60.74 65.14 1.06 Allowed 'General case' 0 C--N 1.374 1.654 0 C-N-CA 127.301 2.241 . . . . 0.0 105.352 -175.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.3 m120 84.24 -66.34 0.06 Allowed 'General case' 0 C--N 1.387 2.231 0 C-N-CA 127.948 2.499 . . . . 0.0 111.371 170.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.414 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 95.7 mt . . . . . 0 CA--C 1.628 3.962 0 CA-C-O 115.93 -1.986 . . . . 0.0 109.077 -177.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.49 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.533 3.706 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.8 mp -97.99 129.12 48.67 Favored 'Isoleucine or valine' 0 C--N 1.387 2.221 0 CA-C-O 121.891 0.853 . . . . 0.0 111.667 -169.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -139.97 152.31 46.21 Favored 'General case' 0 C--N 1.391 2.398 0 O-C-N 121.231 -0.918 . . . . 0.0 108.702 170.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.443 ' CD1' HG22 ' A' ' 14' ' ' THR . 5.7 m-85 -104.89 153.72 21.0 Favored 'General case' 0 C--N 1.392 2.428 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -165.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -115.98 22.98 12.57 Favored 'General case' 0 C--N 1.386 2.19 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 175.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.182 20.5 m170 -72.25 -173.84 1.17 Allowed 'General case' 0 C--N 1.39 2.341 0 C-N-CA 127.486 2.315 . . . . 0.0 114.584 -176.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.25 49.5 mt 76.31 -169.93 0.08 Allowed 'General case' 0 C--N 1.386 2.153 0 C-N-CA 125.819 1.648 . . . . 0.0 113.862 176.052 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.35 -54.37 3.52 Favored Glycine 0 C--N 1.385 3.3 0 N-CA-C 110.028 -1.229 . . . . 0.0 110.028 -173.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 4.4 m -164.36 -41.5 0.03 OUTLIER 'General case' 0 C--N 1.377 1.794 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 -174.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -106.47 126.82 29.5 Favored Pre-proline 0 CA--C 1.581 2.149 0 C-N-CA 123.906 0.883 . . . . 0.0 110.791 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -87.03 -15.45 3.73 Favored 'Trans proline' 0 C--N 1.408 3.668 1 N-CA-C 123.897 4.537 . . . . 0.0 123.897 177.213 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -85.19 -23.53 2.35 Favored 'Trans proline' 0 C--N 1.394 2.966 1 N-CA-C 128.977 6.491 . . . . 0.0 128.977 -168.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.3 p -82.13 140.89 33.53 Favored 'General case' 0 C--N 1.391 2.391 0 CA-C-N 124.652 3.387 . . . . 0.0 114.067 -171.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.443 HG22 ' CD1' ' A' ' 4' ' ' TYR . 55.5 p -134.06 159.74 39.89 Favored 'General case' 0 C--N 1.383 2.027 0 CA-C-N 113.154 -1.839 . . . . 0.0 111.433 -175.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -124.6 100.87 6.85 Favored 'General case' 0 C--N 1.384 2.097 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 -169.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 54.1 m -81.64 109.39 16.03 Favored 'General case' 0 C--N 1.389 2.305 0 N-CA-C 102.219 -3.252 . . . . 0.0 102.219 175.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.8 t -120.03 156.34 31.1 Favored 'General case' 0 C--N 1.393 2.458 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 -161.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.91 2.19 43.49 Favored 'General case' 0 C--N 1.384 2.104 0 C-N-CA 124.897 1.279 . . . . 0.0 111.272 172.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.458 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 26.5 mm-40 -94.06 108.69 20.5 Favored 'General case' 0 C--N 1.392 2.456 0 N-CA-C 103.659 -2.719 . . . . 0.0 103.659 175.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.147 83.1 m-20 -52.43 -20.28 2.74 Favored 'General case' 0 CA--C 1.58 2.1 0 C-N-CA 129.239 3.016 . . . . 0.0 116.848 -171.71 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.4 t -130.76 154.04 48.4 Favored 'General case' 0 C--N 1.378 1.835 0 C-N-CA 125.057 1.343 . . . . 0.0 109.83 -177.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 30.4 p -145.57 154.3 42.02 Favored 'General case' 0 C--N 1.386 2.178 0 C-N-CA 118.331 -1.348 . . . . 0.0 113.158 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -117.62 139.4 51.04 Favored 'General case' 0 C--N 1.384 2.067 0 CA-C-N 113.925 -1.489 . . . . 0.0 112.317 -167.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -91.25 119.59 31.45 Favored 'General case' 0 CA--C 1.58 2.124 0 N-CA-C 105.619 -1.993 . . . . 0.0 105.619 176.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.508 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 1.4 t30 -113.27 115.3 27.97 Favored 'General case' 0 CA--C 1.582 2.202 0 N-CA-C 100.954 -3.721 . . . . 0.0 100.954 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -121.28 -13.57 7.99 Favored 'Isoleucine or valine' 0 C--N 1.398 2.705 0 N-CA-C 117.748 2.499 . . . . 0.0 117.748 -153.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.564 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -86.76 -99.58 0.07 Allowed 'General case' 0 CA--C 1.59 2.49 1 C-N-CA 135.954 5.702 . . . . 0.0 105.799 178.758 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.301 12.3 t 87.69 -76.38 0.01 OUTLIER 'General case' 0 C--N 1.392 2.414 0 C-N-CA 126.443 1.897 . . . . 0.0 107.375 173.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 29.6 p90 179.84 -47.17 0.01 OUTLIER 'General case' 0 C--N 1.388 2.252 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 179.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.8 p30 -69.93 -35.32 74.45 Favored 'General case' 0 C--N 1.378 1.823 0 C-N-CA 129.314 3.046 . . . . 0.0 111.468 176.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 96.29 79.33 0.0 OUTLIER 'General case' 0 C--N 1.386 2.194 0 C-N-CA 129.939 3.296 . . . . 0.0 104.592 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.3 tp -157.76 156.58 4.08 Favored 'Isoleucine or valine' 0 C--N 1.394 2.521 0 C-N-CA 118.393 -1.323 . . . . 0.0 114.037 -174.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 85.3 mt -91.11 90.79 3.38 Favored 'Isoleucine or valine' 0 C--N 1.392 2.44 0 N-CA-C 104.916 -2.253 . . . . 0.0 104.916 177.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -135.93 101.47 4.75 Favored 'General case' 0 C--N 1.382 1.989 0 N-CA-C 101.817 -3.401 . . . . 0.0 101.817 -176.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.411 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -143.55 -173.69 4.03 Favored 'General case' 0 C--N 1.394 2.54 0 N-CA-C 116.18 1.919 . . . . 0.0 116.18 -151.797 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -132.85 157.23 22.52 Favored Glycine 0 C--N 1.395 3.841 0 N-CA-C 118.634 2.214 . . . . 0.0 118.634 -169.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.458 ' SG ' ' HB2' ' A' ' 19' ' ' GLU . 34.9 t -85.62 108.26 17.9 Favored 'General case' 0 C--N 1.383 2.051 0 N-CA-C 104.063 -2.569 . . . . 0.0 104.063 172.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -165.89 -86.78 0.06 OUTLIER Glycine 0 C--N 1.397 3.967 0 N-CA-C 106.396 -2.682 . . . . 0.0 106.396 -178.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.405 ' SG ' ' N ' ' A' ' 40' ' ' PHE 2.39 42.0 t 72.97 -161.54 0.1 Allowed 'General case' 0 C--N 1.388 2.256 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 175.781 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.405 ' N ' ' SG ' ' A' ' 39' ' ' CYS . 4.1 m-85 62.33 57.56 1.92 Allowed 'General case' 0 C--N 1.383 2.037 0 CA-C-N 113.787 -1.551 . . . . 0.0 108.254 174.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.9 t -136.97 84.66 24.77 Favored Pre-proline 0 C--N 1.388 2.243 0 N-CA-C 104.175 -2.528 . . . . 0.0 104.175 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -92.16 69.79 0.8 Allowed 'Trans proline' 0 C--N 1.401 3.322 0 N-CA-C 106.221 -2.261 . . . . 0.0 106.221 -175.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . 0.31 15.2 tpt85 65.47 66.07 0.54 Allowed 'General case' 0 C--N 1.382 2.0 0 C-N-CA 126.432 1.893 . . . . 0.0 107.307 -178.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.48 177.96 50.27 Favored Glycine 0 C--N 1.39 3.554 0 CA-C-N 115.089 -0.959 . . . . 0.0 111.732 166.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -100.71 42.23 1.13 Allowed 'General case' 0 CA--C 1.572 1.807 0 CA-C-O 122.492 1.139 . . . . 0.0 108.298 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.1 tpt -137.06 136.42 20.99 Favored Pre-proline 0 CA--C 1.587 2.396 0 C-N-CA 125.911 1.685 . . . . 0.0 106.737 173.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -65.24 111.85 1.92 Allowed 'Trans proline' 0 C--N 1.397 3.131 0 C-N-CA 121.383 1.389 . . . . 0.0 110.704 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -133.17 55.4 0.75 Allowed Glycine 0 C--N 1.397 3.937 0 CA-C-O 114.818 -3.212 . . . . 0.0 114.298 -178.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 0.0 OUTLIER 46.52 -157.58 0.0 OUTLIER 'Trans proline' 1 C--N 1.421 4.377 0 CA-C-N 122.112 2.956 . . . . 0.0 118.4 166.907 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.25 136.82 53.91 Favored 'General case' 0 CA--C 1.583 2.223 0 N-CA-C 105.936 -1.876 . . . . 0.0 105.936 176.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.6 m -121.98 164.67 17.23 Favored 'General case' 0 C--N 1.395 2.573 0 N-CA-C 117.769 2.507 . . . . 0.0 117.769 -170.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.9 t -135.92 160.89 37.21 Favored 'General case' 0 C--N 1.383 2.059 0 CA-C-N 112.854 -1.975 . . . . 0.0 109.999 174.527 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . 0.255 9.0 pt-20 -136.24 53.19 1.94 Allowed 'General case' 0 C--N 1.386 2.162 0 O-C-N 121.3 -0.875 . . . . 0.0 110.101 176.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.8 t -157.46 88.81 1.01 Allowed 'General case' 0 C--N 1.39 2.345 0 N-CA-C 105.866 -1.901 . . . . 0.0 105.866 177.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 31.1 t0 60.38 -157.23 0.34 Allowed 'General case' 0 C--N 1.391 2.376 0 CA-C-O 123.504 1.621 . . . . 0.0 109.207 176.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -25.55 66.04 Favored 'General case' 0 C--N 1.384 2.103 0 CA-C-N 114.492 -1.231 . . . . 0.0 111.04 178.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 27.2 t 66.58 44.97 2.15 Favored 'General case' 0 C--N 1.389 2.301 0 CA-C-N 120.3 1.409 . . . . 0.0 107.795 172.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.9 t30 64.57 100.22 0.04 OUTLIER 'General case' 0 C--N 1.394 2.516 0 C-N-CA 127.149 2.179 . . . . 0.0 107.825 177.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.6 tp . . . . . 0 C--N 1.39 2.346 0 N-CA-C 104.958 -2.238 . . . . 0.0 104.958 -179.149 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.474 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.535 3.816 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 65.8 mt -82.39 126.57 40.0 Favored 'Isoleucine or valine' 0 C--N 1.395 2.553 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 -178.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -151.81 138.9 19.15 Favored 'General case' 0 C--N 1.393 2.466 0 N-CA-C 107.081 -1.452 . . . . 0.0 107.081 176.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -94.69 152.11 18.74 Favored 'General case' 0 C--N 1.4 2.771 0 N-CA-C 115.97 1.841 . . . . 0.0 115.97 -160.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 33.1 t30 -128.27 57.21 1.58 Allowed 'General case' 0 C--N 1.386 2.165 0 N-CA-C 103.859 -2.645 . . . . 0.0 103.859 175.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.193 13.3 m170 -98.53 -165.3 1.23 Allowed 'General case' 0 C--N 1.385 2.113 0 C-N-CA 128.382 2.673 . . . . 0.0 111.165 175.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.473 ' H ' ' HA ' ' A' ' 11' ' ' PRO 0.361 4.5 mp 76.57 -179.14 0.14 Allowed 'General case' 0 C--N 1.385 2.126 0 N-CA-C 116.027 1.862 . . . . 0.0 116.027 170.354 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.82 -50.22 3.43 Favored Glycine 0 C--N 1.39 3.546 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.094 -171.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 88.2 m -166.9 -38.09 0.02 OUTLIER 'General case' 0 C--N 1.382 1.983 0 N-CA-C 106.818 -1.549 . . . . 0.0 106.818 -175.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -113.5 112.19 48.88 Favored Pre-proline 0 C--N 1.389 2.287 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 -178.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.473 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 36.9 Cg_exo -86.93 -3.26 8.11 Favored 'Trans proline' 0 CA--C 1.593 3.465 0 N-CA-C 120.165 3.102 . . . . 0.0 120.165 179.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -76.5 -21.85 12.8 Favored 'Trans proline' 0 C--N 1.398 3.157 1 N-CA-C 126.227 5.434 . . . . 0.0 126.227 -172.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 69.4 p -92.56 142.2 27.65 Favored 'General case' 0 C--N 1.394 2.511 0 CA-C-N 125.152 3.615 . . . . 0.0 115.177 -173.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 59.1 p -128.42 144.07 51.08 Favored 'General case' 0 C--N 1.379 1.867 0 CA-C-N 112.006 -2.361 . . . . 0.0 108.842 -177.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -112.45 99.68 8.18 Favored 'General case' 0 C--N 1.384 2.08 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 -167.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 90.4 m -75.63 100.17 4.54 Favored 'General case' 0 C--N 1.391 2.403 0 N-CA-C 101.965 -3.346 . . . . 0.0 101.965 171.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 38.2 t -115.38 154.13 29.77 Favored 'General case' 0 C--N 1.384 2.065 0 CA-C-O 123.524 1.63 . . . . 0.0 110.421 -172.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.2 mp0 -99.27 -12.25 20.54 Favored 'General case' 0 C--N 1.374 1.632 0 CA-C-N 112.677 -2.056 . . . . 0.0 111.564 -171.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -70.5 113.08 7.27 Favored 'General case' 0 C--N 1.395 2.545 0 N-CA-C 102.612 -3.107 . . . . 0.0 102.612 171.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.2 68.6 m-20 -59.09 8.45 0.01 OUTLIER 'General case' 0 C--N 1.389 2.301 0 C-N-CA 130.44 3.496 . . . . 0.0 117.071 -169.524 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.4 p -153.46 149.68 28.0 Favored 'General case' 0 C--N 1.377 1.797 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 171.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.1 p -142.03 163.81 31.88 Favored 'General case' 0 C--N 1.38 1.915 0 C-N-CA 118.009 -1.476 . . . . 0.0 113.313 -175.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 44.1 p90 -130.43 149.93 51.88 Favored 'General case' 0 C--N 1.381 1.957 0 CA-C-O 123.331 1.539 . . . . 0.0 114.986 -162.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt -107.61 113.15 26.25 Favored 'General case' 0 C--N 1.384 2.087 0 N-CA-C 105.367 -2.086 . . . . 0.0 105.367 -178.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.44 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 1.2 t30 -115.86 128.95 56.2 Favored 'General case' 0 CA--C 1.586 2.364 0 C-N-CA 128.336 2.654 . . . . 0.0 105.552 -173.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -138.64 15.58 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.404 2.975 0 N-CA-C 116.832 2.16 . . . . 0.0 116.832 -151.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.55 ' N ' ' CD1' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -120.21 -92.64 0.53 Allowed 'General case' 0 CA--C 1.581 2.142 0 C-N-CA 131.279 3.832 . . . . 0.0 105.523 -171.258 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.288 15.2 t 79.43 -90.62 0.02 OUTLIER 'General case' 0 C--N 1.387 2.235 0 C-N-CA 126.639 1.976 . . . . 0.0 108.795 174.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -172.32 -55.2 0.02 OUTLIER 'General case' 0 C--N 1.389 2.287 0 N-CA-C 105.843 -1.91 . . . . 0.0 105.843 -176.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -65.59 -7.65 16.02 Favored 'General case' 0 CA--C 1.579 2.074 0 C-N-CA 130.207 3.403 . . . . 0.0 113.209 175.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 t30 72.96 74.05 0.14 Allowed 'General case' 0 C--N 1.392 2.456 0 C-N-CA 127.285 2.234 . . . . 0.0 105.805 177.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 tp -157.35 160.31 2.2 Favored 'Isoleucine or valine' 0 C--N 1.395 2.574 0 C-N-CA 117.653 -1.619 . . . . 0.0 114.398 -169.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 93.2 mt -96.34 101.27 12.14 Favored 'Isoleucine or valine' 0 C--N 1.393 2.462 0 N-CA-C 104.746 -2.316 . . . . 0.0 104.746 174.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.45 116.54 10.49 Favored 'General case' 0 C--N 1.383 2.025 0 N-CA-C 102.076 -3.305 . . . . 0.0 102.076 -178.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.49 -170.9 3.72 Favored 'General case' 0 C--N 1.393 2.465 0 C-N-CA 118.193 -1.403 . . . . 0.0 114.733 -156.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -167.83 -162.94 20.85 Favored Glycine 0 C--N 1.394 3.765 0 C-N-CA 114.8 -3.571 . . . . 0.0 117.227 -173.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 10.3 p -110.29 126.12 53.86 Favored 'General case' 0 C--N 1.387 2.199 0 CA-C-O 123.017 1.389 . . . . 0.0 111.162 -177.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.19 -87.76 0.07 OUTLIER Glycine 0 C--N 1.392 3.692 0 N-CA-C 104.096 -3.602 . . . . 0.0 104.096 177.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.426 ' O ' ' SG ' ' A' ' 39' ' ' CYS 2.364 45.0 t 75.93 -50.62 0.62 Allowed 'General case' 0 C--N 1.388 2.271 0 C-N-CA 125.124 1.37 . . . . 0.0 111.96 176.713 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.1 m-85 -76.22 74.44 3.04 Favored 'General case' 0 CA--C 1.581 2.172 0 N-CA-C 105.472 -2.048 . . . . 0.0 105.472 -176.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.8 t -121.38 82.86 39.59 Favored Pre-proline 0 C--N 1.388 2.273 0 N-CA-C 102.944 -2.984 . . . . 0.0 102.944 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -94.0 64.29 0.38 Allowed 'Trans proline' 0 C--N 1.399 3.19 0 N-CA-C 107.834 -1.641 . . . . 0.0 107.834 -172.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.44 143.46 30.91 Favored 'General case' 0 C--N 1.385 2.136 0 C-N-CA 124.443 1.097 . . . . 0.0 108.712 179.068 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -91.97 -36.76 6.24 Favored Glycine 0 C--N 1.392 3.649 0 CA-C-O 118.448 -1.196 . . . . 0.0 112.37 177.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -80.45 23.72 0.49 Allowed 'General case' 0 C--N 1.388 2.276 0 CA-C-N 119.1 1.45 . . . . 0.0 111.316 175.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 8.9 ttm -123.84 117.51 27.32 Favored Pre-proline 0 CA--C 1.583 2.215 0 N-CA-C 103.787 -2.672 . . . . 0.0 103.787 170.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -84.74 96.95 0.67 Allowed 'Trans proline' 0 C--N 1.397 3.126 0 N-CA-C 106.473 -2.164 . . . . 0.0 106.473 -173.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.25 147.64 18.68 Favored Glycine 0 C--N 1.392 3.66 0 O-C-N 120.978 -1.077 . . . . 0.0 115.347 -178.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -60.82 171.4 3.68 Favored 'Trans proline' 0 C--N 1.39 2.723 0 C-N-CA 124.986 3.791 . . . . 0.0 113.844 169.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 16.7 p90 -85.92 149.52 25.15 Favored 'General case' 0 C--N 1.387 2.223 0 C-N-CA 118.245 -1.382 . . . . 0.0 110.09 178.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.5 m -124.54 166.94 15.17 Favored 'General case' 0 C--N 1.39 2.358 0 N-CA-C 117.514 2.413 . . . . 0.0 117.514 -166.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -146.47 149.48 33.75 Favored 'General case' 0 C--N 1.381 1.956 0 CA-C-N 113.111 -1.859 . . . . 0.0 109.069 -178.086 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . 0.288 0.1 OUTLIER -127.5 32.98 4.92 Favored 'General case' 0 C--N 1.385 2.122 0 CA-C-O 122.202 1.001 . . . . 0.0 111.361 177.078 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.3 t -119.01 -177.73 3.4 Favored 'General case' 0 CA--C 1.577 2.008 0 C-N-CA 127.854 2.461 . . . . 0.0 110.028 176.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.554 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 45.1 t0 -83.59 114.13 21.31 Favored 'General case' 0 CA--C 1.586 2.356 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -175.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.554 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.271 3.9 mppt? 73.48 -63.61 0.43 Allowed 'General case' 0 C--N 1.402 2.884 0 C-N-CA 125.952 1.701 . . . . 0.0 111.881 178.773 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.294 67.8 m 75.84 53.64 0.06 Allowed 'General case' 0 C--N 1.376 1.736 0 C-N-CA 127.739 2.416 . . . . 0.0 109.079 -176.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 57.95 77.7 0.27 Allowed 'General case' 0 C--N 1.389 2.292 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 169.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.9 tp . . . . . 0 CA--C 1.583 2.217 0 N-CA-C 103.098 -2.927 . . . . 0.0 103.098 -175.083 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.501 HH11 ' HG2' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.538 3.948 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.0 mt -144.38 134.52 20.11 Favored 'Isoleucine or valine' 0 C--N 1.387 2.223 0 CA-C-N 119.73 1.15 . . . . 0.0 110.023 -172.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 99.5 m -136.1 151.11 49.46 Favored 'General case' 0 CA--C 1.593 2.611 0 N-CA-C 106.737 -1.579 . . . . 0.0 106.737 166.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -94.27 135.55 35.54 Favored 'General case' 0 C--N 1.398 2.692 0 C-N-CA 118.45 -1.3 . . . . 0.0 114.447 -161.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -126.81 5.35 6.65 Favored 'General case' 0 C--N 1.395 2.581 0 O-C-N 121.314 -0.866 . . . . 0.0 113.069 -171.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.107 0.4 OUTLIER -72.4 -33.62 67.3 Favored 'General case' 0 C--N 1.382 2.001 0 C-N-CA 124.231 1.012 . . . . 0.0 113.362 -165.113 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.5 mt -58.39 -170.69 0.01 OUTLIER 'General case' 0 C--N 1.385 2.129 0 C-N-CA 128.403 2.681 . . . . 0.0 116.174 -173.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 80.04 38.91 17.7 Favored Glycine 0 C--N 1.388 3.455 0 CA-C-O 117.556 -1.691 . . . . 0.0 112.544 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.4 m 94.17 -37.7 0.02 OUTLIER 'General case' 0 C--N 1.393 2.497 0 C-N-CA 129.844 3.257 . . . . 0.0 110.02 -178.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.432 ' NZ ' ' OD2' ' A' ' 30' ' ' ASP . 7.5 mptt -64.74 159.1 64.86 Favored Pre-proline 0 CA--C 1.587 2.368 0 C-N-CA 123.705 0.802 . . . . 0.0 110.149 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -74.91 158.99 42.21 Favored 'Trans proline' 0 C--N 1.4 3.253 0 N-CA-C 114.173 0.797 . . . . 0.0 114.173 -175.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.6 OUTLIER -53.95 138.98 70.35 Favored 'Trans proline' 0 C--N 1.396 3.044 0 C-N-CA 122.392 2.062 . . . . 0.0 115.097 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . 0.263 0.1 OUTLIER 174.19 164.0 0.2 Allowed 'General case' 0 C--N 1.392 2.445 0 CA-C-O 122.913 1.34 . . . . 0.0 108.252 -179.137 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 34.2 p -136.34 154.66 50.78 Favored 'General case' 0 C--N 1.385 2.121 0 C-N-CA 119.279 -0.969 . . . . 0.0 113.173 -171.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 65.4 tt0 -92.34 95.72 9.85 Favored 'General case' 0 C--N 1.384 2.099 0 N-CA-C 104.006 -2.59 . . . . 0.0 104.006 -178.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 93.5 m -89.86 106.14 18.27 Favored 'General case' 0 C--N 1.387 2.226 0 N-CA-C 103.593 -2.743 . . . . 0.0 103.593 -178.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -124.68 155.82 38.59 Favored 'General case' 0 C--N 1.385 2.142 0 CA-C-O 121.919 0.866 . . . . 0.0 112.992 -167.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -98.69 2.23 46.93 Favored 'General case' 0 C--N 1.383 2.03 0 CA-C-O 117.818 -1.087 . . . . 0.0 111.692 175.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -93.9 158.73 15.5 Favored 'General case' 0 C--N 1.394 2.523 0 CA-C-N 121.915 2.143 . . . . 0.0 113.171 -173.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.116 0.9 OUTLIER -46.01 -42.8 13.7 Favored 'General case' 0 C--N 1.387 2.218 0 C-N-CA 129.774 3.23 . . . . 0.0 115.246 -169.801 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 38.0 m -140.27 154.61 46.9 Favored 'General case' 0 C--N 1.384 2.095 0 CA-C-O 122.622 1.201 . . . . 0.0 112.934 -172.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.291 20.5 p -139.03 148.22 43.11 Favored 'General case' 0 C--N 1.387 2.207 0 CA-C-O 123.164 1.459 . . . . 0.0 112.191 174.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -118.68 166.94 12.14 Favored 'General case' 0 C--N 1.386 2.155 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 -163.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.419 ' NZ ' ' OXT' ' A' ' 59' ' ' LEU . 7.1 mmtt -120.6 113.86 20.87 Favored 'General case' 0 C--N 1.386 2.153 0 N-CA-C 106.115 -1.809 . . . . 0.0 106.115 -177.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.6 ' H ' ' HB3' ' A' ' 35' ' ' ARG . 3.4 t30 -115.32 117.05 29.36 Favored 'General case' 0 CA--C 1.574 1.881 0 N-CA-C 102.473 -3.158 . . . . 0.0 102.473 -174.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -114.47 -21.06 5.61 Favored 'Isoleucine or valine' 0 C--N 1.394 2.506 0 N-CA-C 116.44 2.015 . . . . 0.0 116.44 -151.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.527 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -90.01 -106.39 0.09 Allowed 'General case' 0 CA--C 1.596 2.717 1 C-N-CA 135.963 5.705 . . . . 0.0 109.663 -178.321 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.2 t 81.93 157.74 0.13 Allowed 'General case' 0 C--N 1.396 2.589 0 C-N-CA 126.725 2.01 . . . . 0.0 114.502 176.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -75.93 -47.3 25.75 Favored 'General case' 0 C--N 1.397 2.643 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 172.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.432 ' OD2' ' NZ ' ' A' ' 10' ' ' LYS . 23.6 p-10 -77.65 67.79 3.61 Favored 'General case' 0 C--N 1.388 2.261 0 N-CA-C 104.022 -2.584 . . . . 0.0 104.022 169.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -37.45 113.57 0.27 Allowed 'General case' 0 C--N 1.394 2.527 0 C-N-CA 129.014 2.926 . . . . 0.0 109.995 -167.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.5 tp 179.57 164.66 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.403 2.925 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -172.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 23.8 mt -90.53 99.45 9.59 Favored 'Isoleucine or valine' 0 C--N 1.397 2.648 0 N-CA-C 102.954 -2.98 . . . . 0.0 102.954 165.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.523 HH11 ' HG2' ' A' ' 34' ' ' ARG . 4.5 ttp85 -144.48 122.49 12.08 Favored 'General case' 0 C--N 1.382 2.014 0 N-CA-C 103.595 -2.743 . . . . 0.0 103.595 -176.543 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.6 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -158.8 -173.95 4.52 Favored 'General case' 0 C--N 1.389 2.288 0 C-N-CA 117.535 -1.666 . . . . 0.0 112.754 -156.323 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 175.33 -166.69 38.32 Favored Glycine 0 C--N 1.393 3.736 1 C-N-CA 112.214 -4.803 . . . . 0.0 120.576 -167.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.0 t -74.91 113.61 12.42 Favored 'General case' 0 C--N 1.386 2.153 0 CA-C-N 113.173 -1.514 . . . . 0.0 108.816 -176.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.63 -103.36 0.17 Allowed Glycine 0 C--N 1.396 3.881 0 N-CA-C 106.277 -2.729 . . . . 0.0 106.277 174.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.317 50.2 t 91.53 -45.27 0.02 OUTLIER 'General case' 0 C--N 1.384 2.089 0 CA-C-O 121.705 0.765 . . . . 0.0 112.079 175.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -90.92 81.88 5.67 Favored 'General case' 0 C--N 1.385 2.132 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 -168.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.3 t -111.49 100.69 48.7 Favored Pre-proline 0 C--N 1.389 2.302 0 N-CA-C 106.514 -1.661 . . . . 0.0 106.514 -178.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -96.3 62.57 0.15 Allowed 'Trans proline' 0 C--N 1.402 3.354 0 N-CA-C 104.841 -2.792 . . . . 0.0 104.841 178.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.33 120.01 12.53 Favored 'General case' 0 C--N 1.384 2.081 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -177.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.01 -16.05 75.76 Favored Glycine 0 C--N 1.393 3.74 0 O-C-N 120.786 -1.196 . . . . 0.0 112.923 174.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -100.59 27.3 5.93 Favored 'General case' 0 C--N 1.381 1.973 0 C-N-CA 126.41 1.884 . . . . 0.0 111.121 178.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.1 tmt? -124.62 129.04 24.77 Favored Pre-proline 0 CA--C 1.573 1.855 0 N-CA-C 106.443 -1.688 . . . . 0.0 106.443 178.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -72.98 100.77 1.25 Allowed 'Trans proline' 0 C--N 1.397 3.096 0 N-CA-C 106.201 -2.269 . . . . 0.0 106.201 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -78.18 113.31 3.68 Favored Glycine 0 CA--C 1.57 3.506 0 O-C-N 121.457 -0.777 . . . . 0.0 112.221 -176.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -62.21 171.84 4.79 Favored 'Trans proline' 0 C--N 1.392 2.83 0 C-N-CA 121.758 1.639 . . . . 0.0 111.52 166.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -96.59 163.04 13.19 Favored 'General case' 0 C--N 1.386 2.194 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.493 176.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 6.5 m -148.28 166.68 27.26 Favored 'General case' 0 C--N 1.398 2.698 0 N-CA-C 118.615 2.82 . . . . 0.0 118.615 -163.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.4 t -134.34 158.65 43.25 Favored 'General case' 0 C--N 1.385 2.147 0 CA-C-N 113.309 -1.768 . . . . 0.0 111.119 176.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -115.17 39.97 2.78 Favored 'General case' 0 C--N 1.384 2.103 0 CA-C-O 121.74 0.781 . . . . 0.0 110.228 -179.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 38.5 m -154.55 171.12 19.95 Favored 'General case' 0 C--N 1.384 2.077 0 CA-C-O 122.151 0.976 . . . . 0.0 111.418 178.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -68.78 109.61 3.93 Favored 'General case' 0 CA--C 1.585 2.297 0 CA-C-O 123.063 1.411 . . . . 0.0 109.139 -173.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . 0.269 0.0 OUTLIER 75.0 -73.33 0.1 Allowed 'General case' 0 C--N 1.395 2.555 0 C-N-CA 129.23 3.012 . . . . 0.0 109.821 -179.13 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 24.9 m 75.94 -49.49 0.6 Allowed 'General case' 0 C--N 1.384 2.104 0 C-N-CA 129.11 2.964 . . . . 0.0 110.97 -177.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -158.27 72.68 0.63 Allowed 'General case' 0 C--N 1.383 2.059 0 N-CA-C 104.324 -2.472 . . . . 0.0 104.324 -176.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.419 ' OXT' ' NZ ' ' A' ' 24' ' ' LYS . 47.5 mt . . . . . 0 CA--C 1.615 3.462 0 C-N-CA 125.95 1.7 . . . . 0.0 107.936 -175.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.526 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 1 N--CA 1.539 4.015 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.1 mp -102.17 122.89 54.99 Favored 'Isoleucine or valine' 0 C--N 1.393 2.469 0 CA-C-N 118.94 0.791 . . . . 0.0 109.415 -174.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.2 m -139.21 149.7 44.68 Favored 'General case' 0 C--N 1.391 2.376 0 CA-C-O 122.516 1.151 . . . . 0.0 108.279 169.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -93.31 168.28 11.18 Favored 'General case' 0 C--N 1.387 2.209 0 N-CA-C 115.154 1.539 . . . . 0.0 115.154 -162.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 43.1 p-10 -141.81 24.36 2.03 Favored 'General case' 0 C--N 1.387 2.226 0 C-N-CA 118.539 -1.264 . . . . 0.0 111.368 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.188 18.0 m170 -73.79 -150.88 0.03 OUTLIER 'General case' 0 CA--C 1.585 2.313 0 C-N-CA 125.083 1.353 . . . . 0.0 111.127 -177.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.455 ' H ' ' HA ' ' A' ' 11' ' ' PRO . 30.3 mt 62.3 -174.75 0.14 Allowed 'General case' 0 C--N 1.394 2.504 0 O-C-N 120.548 -1.345 . . . . 0.0 112.253 175.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.72 45.73 90.45 Favored Glycine 0 C--N 1.385 3.251 0 CA-C-O 117.924 -1.487 . . . . 0.0 110.702 179.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 92.4 m 112.53 -41.72 0.0 OUTLIER 'General case' 0 C--N 1.392 2.431 0 C-N-CA 129.932 3.293 . . . . 0.0 110.732 178.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -135.24 118.37 12.84 Favored Pre-proline 0 C--N 1.384 2.09 0 CA-C-O 118.06 -0.971 . . . . 0.0 110.633 -168.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.455 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 66.1 Cg_exo -87.77 -2.6 7.37 Favored 'Trans proline' 0 CA--C 1.598 3.685 0 N-CA-C 120.819 3.354 . . . . 0.0 120.819 175.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -67.66 -10.32 28.36 Favored 'Trans proline' 0 C--N 1.396 3.063 1 N-CA-C 125.846 5.287 . . . . 0.0 125.846 -174.459 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.7 p -126.58 158.06 37.22 Favored 'General case' 0 C--N 1.392 2.438 0 CA-C-N 125.51 3.777 . . . . 0.0 117.407 -176.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 57.8 p -139.51 157.93 45.0 Favored 'General case' 0 C--N 1.387 2.217 0 CA-C-N 112.414 -2.175 . . . . 0.0 111.578 -173.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -112.55 106.14 14.51 Favored 'General case' 0 C--N 1.39 2.345 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 -177.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.3 m -76.02 105.51 7.1 Favored 'General case' 0 C--N 1.395 2.568 0 N-CA-C 101.559 -3.497 . . . . 0.0 101.559 166.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.0 t -120.57 154.46 35.35 Favored 'General case' 0 C--N 1.393 2.467 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 -165.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -110.11 3.38 20.18 Favored 'General case' 0 C--N 1.383 2.04 0 C-N-CA 125.649 1.579 . . . . 0.0 110.553 176.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -89.94 97.45 11.19 Favored 'General case' 0 C--N 1.395 2.555 0 N-CA-C 101.688 -3.449 . . . . 0.0 101.688 172.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.191 30.9 m-20 -42.64 -17.75 0.01 OUTLIER 'General case' 0 CA--C 1.582 2.196 1 C-N-CA 133.23 4.612 . . . . 0.0 118.369 -166.427 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.1 t -129.94 142.2 50.68 Favored 'General case' 0 C--N 1.376 1.751 0 C-N-CA 125.607 1.563 . . . . 0.0 107.333 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -127.12 165.81 18.83 Favored 'General case' 0 C--N 1.383 2.057 0 CA-C-O 122.447 1.117 . . . . 0.0 112.178 177.582 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 48.7 p90 -138.55 158.69 43.78 Favored 'General case' 0 C--N 1.376 1.755 0 CA-C-N 113.586 -1.643 . . . . 0.0 114.086 -168.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.525 ' HZ3' ' C ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -111.35 119.85 40.24 Favored 'General case' 0 C--N 1.381 1.96 0 CA-C-N 111.58 -2.555 . . . . 0.0 105.598 177.851 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.45 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 4.9 t30 -120.02 119.66 34.04 Favored 'General case' 0 CA--C 1.584 2.25 0 N-CA-C 102.594 -3.113 . . . . 0.0 102.594 -178.089 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.68 35.97 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.397 2.652 0 N-CA-C 115.665 1.728 . . . . 0.0 115.665 -151.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.498 ' N ' ' CD1' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -154.19 -95.29 0.04 OUTLIER 'General case' 0 CA--C 1.575 1.936 0 CA-C-N 113.04 -1.891 . . . . 0.0 106.222 -164.509 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.1 t 77.22 -11.42 1.2 Allowed 'General case' 0 C--N 1.391 2.376 0 CA-C-O 117.327 -1.321 . . . . 0.0 113.465 173.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . 0.312 74.6 t80 89.79 -45.85 0.02 OUTLIER 'General case' 0 C--N 1.392 2.43 0 CA-C-N 121.938 2.154 . . . . 0.0 109.697 -176.539 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -65.7 -9.85 31.4 Favored 'General case' 0 CA--C 1.584 2.268 0 CA-C-O 118.145 -0.931 . . . . 0.0 110.839 172.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.0 t30 76.17 69.92 0.07 Allowed 'General case' 0 C--N 1.396 2.621 0 C-N-CA 127.354 2.262 . . . . 0.0 107.153 172.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 tp -167.77 164.42 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.392 2.428 0 C-N-CA 117.452 -1.699 . . . . 0.0 113.522 -171.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 96.5 mt -92.79 102.92 14.12 Favored 'Isoleucine or valine' 0 C--N 1.383 2.027 0 N-CA-C 105.59 -2.004 . . . . 0.0 105.59 174.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.99 120.61 19.39 Favored 'General case' 0 C--N 1.387 2.237 0 N-CA-C 102.644 -3.095 . . . . 0.0 102.644 174.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.413 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -162.54 -161.02 0.69 Allowed 'General case' 0 C--N 1.384 2.104 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.809 -161.834 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 159.27 -155.95 27.05 Favored Glycine 0 C--N 1.388 3.461 0 C-N-CA 115.722 -3.132 . . . . 0.0 115.419 -177.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.1 p -96.09 123.99 39.92 Favored 'General case' 0 C--N 1.385 2.135 0 CA-C-O 123.338 1.542 . . . . 0.0 112.107 -175.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.43 -85.43 0.06 OUTLIER Glycine 0 C--N 1.393 3.71 0 N-CA-C 104.167 -3.573 . . . . 0.0 104.167 173.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.31 51.7 t 82.59 -42.49 0.12 Allowed 'General case' 0 C--N 1.391 2.38 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 171.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -89.84 64.24 6.33 Favored 'General case' 0 C--N 1.386 2.185 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 -166.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.4 t -102.97 135.57 19.39 Favored Pre-proline 0 C--N 1.389 2.305 0 CA-C-O 121.149 0.499 . . . . 0.0 110.391 -177.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -70.44 179.89 3.73 Favored 'Trans proline' 0 C--N 1.397 3.124 0 C-N-CA 121.067 1.178 . . . . 0.0 113.277 172.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.5 tpt85 -82.49 77.56 9.25 Favored 'General case' 0 C--N 1.39 2.358 0 N-CA-C 104.827 -2.286 . . . . 0.0 104.827 178.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.09 173.0 48.24 Favored Glycine 0 C--N 1.386 3.345 0 CA-C-O 122.315 0.953 . . . . 0.0 113.025 175.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -99.35 43.2 1.07 Allowed 'General case' 0 C--N 1.376 1.724 0 CA-C-O 123.723 1.725 . . . . 0.0 107.404 176.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 19.1 mtp -137.63 143.83 42.23 Favored Pre-proline 0 CA--C 1.578 2.047 0 C-N-CA 129.229 3.012 . . . . 0.0 105.947 175.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.46 138.96 36.71 Favored 'Trans proline' 0 C--N 1.39 2.721 0 CA-C-O 123.163 1.235 . . . . 0.0 112.67 -173.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.22 134.06 11.87 Favored Glycine 1 CA--C 1.586 4.488 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 178.006 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo -73.25 173.07 14.33 Favored 'Trans proline' 0 C--N 1.388 2.615 0 C-N-CA 124.156 3.237 . . . . 0.0 110.894 175.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 48.4 p90 -96.35 141.05 30.14 Favored 'General case' 0 C--N 1.392 2.434 0 N-CA-C 107.735 -1.209 . . . . 0.0 107.735 176.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.0 m -123.32 166.71 14.84 Favored 'General case' 0 C--N 1.392 2.444 0 N-CA-C 117.797 2.517 . . . . 0.0 117.797 -167.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.8 t -135.95 162.03 33.99 Favored 'General case' 0 C--N 1.379 1.886 0 CA-C-N 112.003 -2.362 . . . . 0.0 110.689 178.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . 0.254 0.2 OUTLIER -126.49 38.69 4.08 Favored 'General case' 0 C--N 1.381 1.967 0 CA-C-O 121.752 0.787 . . . . 0.0 109.978 176.092 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.431 ' HB3' ' SG ' ' A' ' 57' ' ' CYS . 9.0 t -134.45 173.55 11.51 Favored 'General case' 0 C--N 1.385 2.112 0 C-N-CA 125.106 1.362 . . . . 0.0 110.69 178.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.497 ' CG ' ' NZ ' ' A' ' 56' ' ' LYS . 40.1 t0 -73.72 120.24 19.05 Favored 'General case' 0 CA--C 1.582 2.177 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 -176.303 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.497 ' NZ ' ' CG ' ' A' ' 55' ' ' ASP 0.273 0.0 OUTLIER 71.68 -68.35 0.22 Allowed 'General case' 0 C--N 1.399 2.734 0 C-N-CA 127.25 2.22 . . . . 0.0 111.047 -179.953 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.431 ' SG ' ' HB3' ' A' ' 54' ' ' SER . 13.8 m 60.94 60.05 1.93 Allowed 'General case' 0 C--N 1.38 1.899 0 C-N-CA 127.721 2.408 . . . . 0.0 104.905 -170.548 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 52.8 t30 65.95 88.29 0.11 Allowed 'General case' 0 C--N 1.391 2.386 0 C-N-CA 125.066 1.346 . . . . 0.0 107.437 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.525 ' C ' ' HZ3' ' A' ' 24' ' ' LYS . 20.8 mt . . . . . 0 CA--C 1.6 2.894 0 C-N-CA 128.018 2.527 . . . . 0.0 110.646 176.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.463 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 1 N--CA 1.54 4.029 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.0 mp -87.7 117.0 30.76 Favored 'Isoleucine or valine' 0 C--N 1.397 2.661 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 178.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -146.21 145.64 30.51 Favored 'General case' 0 C--N 1.389 2.311 0 N-CA-C 106.747 -1.575 . . . . 0.0 106.747 174.302 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -93.66 148.13 22.39 Favored 'General case' 0 C--N 1.398 2.676 0 C-N-CA 117.258 -1.777 . . . . 0.0 114.82 -158.174 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 27.3 p-10 -118.24 37.83 3.89 Favored 'General case' 0 C--N 1.389 2.318 0 O-C-N 120.841 -1.162 . . . . 0.0 108.978 -179.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.209 26.0 m170 -81.13 -154.85 0.11 Allowed 'General case' 0 C--N 1.385 2.135 0 C-N-CA 127.207 2.203 . . . . 0.0 113.412 -173.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.303 11.3 mt 59.09 -169.89 0.13 Allowed 'General case' 0 C--N 1.385 2.12 0 CA-C-O 122.183 0.992 . . . . 0.0 111.53 176.096 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.85 -58.35 3.66 Favored Glycine 0 C--N 1.383 3.14 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.545 -177.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.4 m -168.67 -41.09 0.02 OUTLIER 'General case' 0 C--N 1.383 2.03 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 -170.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -114.26 105.78 53.63 Favored Pre-proline 0 CA--C 1.586 2.354 0 N-CA-C 106.376 -1.713 . . . . 0.0 106.376 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 97.6 Cg_exo -79.79 -0.59 10.81 Favored 'Trans proline' 0 C--N 1.408 3.671 0 N-CA-C 121.718 3.699 . . . . 0.0 121.718 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -81.88 -23.37 4.69 Favored 'Trans proline' 0 C--N 1.4 3.265 1 N-CA-C 125.912 5.312 . . . . 0.0 125.912 -173.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.8 p -83.22 137.08 34.18 Favored 'General case' 0 C--N 1.398 2.682 0 CA-C-N 124.712 3.415 . . . . 0.0 113.475 -173.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 52.9 p -116.93 138.05 51.8 Favored 'General case' 0 C--N 1.375 1.681 0 CA-C-N 112.308 -2.224 . . . . 0.0 105.479 172.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -100.25 93.38 5.66 Favored 'General case' 0 C--N 1.383 2.049 0 N-CA-C 106.163 -1.791 . . . . 0.0 106.163 -171.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.7 t -61.87 127.51 31.77 Favored 'General case' 0 C--N 1.398 2.678 0 N-CA-C 103.501 -2.777 . . . . 0.0 103.501 162.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 1' ' ' ARG . 7.8 t -142.89 146.75 34.36 Favored 'General case' 0 C--N 1.382 2.015 0 CA-C-O 122.886 1.327 . . . . 0.0 110.151 -175.399 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -100.05 2.33 43.21 Favored 'General case' 0 CA--C 1.574 1.895 0 CA-C-N 113.657 -1.611 . . . . 0.0 110.268 -177.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -79.39 115.49 19.06 Favored 'General case' 0 C--N 1.394 2.532 0 N-CA-C 103.453 -2.795 . . . . 0.0 103.453 172.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.21 54.9 m-20 -60.76 1.79 0.13 Allowed 'General case' 0 C--N 1.392 2.452 0 C-N-CA 128.072 2.549 . . . . 0.0 117.276 -166.051 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 86.0 p -150.15 148.16 28.62 Favored 'General case' 0 C--N 1.382 1.996 0 CA-C-N 121.265 1.848 . . . . 0.0 108.035 174.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 p -139.37 155.07 47.9 Favored 'General case' 0 C--N 1.386 2.184 0 CA-C-O 123.476 1.608 . . . . 0.0 113.101 -175.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -134.93 147.78 49.88 Favored 'General case' 0 C--N 1.378 1.83 0 CA-C-N 113.434 -1.712 . . . . 0.0 113.33 -165.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.506 ' HZ3' ' C ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -104.02 126.98 51.55 Favored 'General case' 0 C--N 1.385 2.133 0 CA-C-O 123.707 1.718 . . . . 0.0 106.997 178.286 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.616 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 7.1 t30 -117.82 129.74 55.85 Favored 'General case' 0 CA--C 1.579 2.094 0 N-CA-C 104.443 -2.429 . . . . 0.0 104.443 -175.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.3 pp -137.96 14.38 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.403 2.903 0 N-CA-C 116.853 2.168 . . . . 0.0 116.853 -148.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.616 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -126.34 -104.89 0.34 Allowed 'General case' 0 CA--C 1.585 2.313 1 C-N-CA 132.729 4.412 . . . . 0.0 105.222 -168.898 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.9 t 73.81 163.46 0.27 Allowed 'General case' 0 C--N 1.394 2.502 0 O-C-N 120.903 -1.123 . . . . 0.0 113.043 176.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -69.41 -46.38 66.96 Favored 'General case' 0 C--N 1.395 2.549 0 O-C-N 121.517 -0.74 . . . . 0.0 110.031 178.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -67.04 -5.0 11.26 Favored 'General case' 0 CA--C 1.578 2.053 0 C-N-CA 126.075 1.75 . . . . 0.0 112.161 176.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 38.6 m-80 65.52 74.85 0.37 Allowed 'General case' 0 C--N 1.398 2.703 0 CA-C-N 122.74 2.518 . . . . 0.0 106.643 174.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.1 tp -162.26 166.87 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.395 2.557 0 C-N-CA 118.524 -1.27 . . . . 0.0 114.313 -171.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -100.85 99.2 7.95 Favored 'Isoleucine or valine' 0 C--N 1.387 2.229 0 N-CA-C 104.973 -2.232 . . . . 0.0 104.973 176.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.47 136.79 16.65 Favored 'General case' 0 C--N 1.387 2.22 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 177.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.93 -171.73 0.67 Allowed 'General case' 0 C--N 1.4 2.784 0 C-N-CA 116.468 -2.093 . . . . 0.0 112.718 -148.169 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -172.66 -157.94 15.7 Favored Glycine 0 C--N 1.393 3.736 0 C-N-CA 113.908 -3.996 . . . . 0.0 117.978 -170.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.2 p -114.12 115.17 27.11 Favored 'General case' 0 C--N 1.387 2.202 0 CA-C-O 123.502 1.62 . . . . 0.0 110.225 -173.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.0 -81.11 0.05 OUTLIER Glycine 0 C--N 1.386 3.341 1 N-CA-C 101.056 -4.818 . . . . 0.0 101.056 177.377 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.419 ' SG ' ' N ' ' A' ' 40' ' ' PHE 2.362 42.7 t 73.14 -155.49 0.07 Allowed 'General case' 0 C--N 1.392 2.423 0 CA-C-O 123.721 1.724 . . . . 0.0 114.542 168.088 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.419 ' N ' ' SG ' ' A' ' 39' ' ' CYS 0.288 37.5 m-85 72.0 41.38 0.66 Allowed 'General case' 0 C--N 1.38 1.922 0 CA-C-N 112.35 -2.205 . . . . 0.0 109.605 179.343 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.7 p -92.52 140.59 24.07 Favored Pre-proline 0 C--N 1.394 2.543 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 170.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_exo -53.4 147.9 35.52 Favored 'Trans proline' 0 C--N 1.394 2.943 0 C-N-CA 121.151 1.234 . . . . 0.0 111.565 173.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.408 HH21 ' CG ' ' A' ' 45' ' ' ASP 0.282 9.2 mmm-85 -95.65 32.78 1.75 Allowed 'General case' 0 C--N 1.393 2.471 0 N-CA-C 116.393 1.998 . . . . 0.0 116.393 -175.639 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -82.8 -11.47 81.53 Favored Glycine 0 CA--C 1.573 3.716 0 C-N-CA 119.069 -1.539 . . . . 0.0 109.721 153.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.408 ' CG ' HH21 ' A' ' 43' ' ' ARG 0.35 88.2 m-20 59.5 55.62 4.04 Favored 'General case' 0 C--N 1.389 2.284 0 C-N-CA 128.844 2.858 . . . . 0.0 107.257 -177.544 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -74.62 127.19 87.73 Favored Pre-proline 0 C--N 1.391 2.38 0 N-CA-C 105.814 -1.921 . . . . 0.0 105.814 170.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 0.0 OUTLIER 20.5 70.19 0.0 OUTLIER 'Trans proline' 0 C--N 1.407 3.636 0 C-N-CA 124.812 3.675 . . . . 0.0 112.532 177.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -150.69 163.55 29.67 Favored Glycine 0 C--N 1.388 3.439 0 CA-C-N 115.041 -0.981 . . . . 0.0 112.184 -178.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -65.16 169.43 12.18 Favored 'Trans proline' 0 C--N 1.386 2.521 0 CA-C-O 123.277 1.282 . . . . 0.0 109.451 167.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.12 109.62 16.59 Favored 'General case' 0 CA--C 1.58 2.099 0 N-CA-C 101.562 -3.495 . . . . 0.0 101.562 177.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 44.7 t -116.94 118.23 31.87 Favored 'General case' 0 C--N 1.395 2.545 0 CA-C-O 123.792 1.758 . . . . 0.0 110.489 -168.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 33.7 t -111.49 176.07 5.17 Favored 'General case' 0 C--N 1.383 2.023 0 C-N-CA 124.866 1.267 . . . . 0.0 113.296 179.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -149.8 63.49 0.99 Allowed 'General case' 0 C--N 1.386 2.187 0 CA-C-O 122.299 1.047 . . . . 0.0 108.998 -172.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.0 m -151.25 166.84 29.69 Favored 'General case' 0 C--N 1.382 2.0 0 C-N-CA 124.717 1.207 . . . . 0.0 109.0 176.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.509 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 25.3 t0 -64.14 120.14 11.52 Favored 'General case' 0 C--N 1.394 2.529 0 N-CA-C 106.458 -1.682 . . . . 0.0 106.458 -178.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.509 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.299 3.7 mptt 74.19 -65.84 0.33 Allowed 'General case' 0 C--N 1.399 2.739 0 C-N-CA 127.139 2.176 . . . . 0.0 109.331 -176.181 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 47.7 t 58.21 65.45 1.28 Allowed 'General case' 0 C--N 1.376 1.76 0 N-CA-C 104.896 -2.261 . . . . 0.0 104.896 -175.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 12.0 t30 63.66 81.16 0.21 Allowed 'General case' 0 C--N 1.387 2.2 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 173.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.506 ' C ' ' HZ3' ' A' ' 24' ' ' LYS . 82.5 mt . . . . . 0 CA--C 1.595 2.701 0 CA-C-O 116.216 -1.85 . . . . 0.0 108.356 176.848 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.485 HH21 ' CG ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 1 N--CA 1.542 4.142 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 . . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.6 mp -90.48 120.9 40.14 Favored 'Isoleucine or valine' 0 C--N 1.39 2.347 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 177.468 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.0 m -135.15 150.88 50.25 Favored 'General case' 0 C--N 1.388 2.248 0 N-CA-C 107.005 -1.479 . . . . 0.0 107.005 169.546 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -74.67 166.45 23.56 Favored 'General case' 0 C--N 1.384 2.1 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 -172.229 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -160.21 63.6 0.34 Allowed 'General case' 0 C--N 1.387 2.236 0 N-CA-C 103.212 -2.884 . . . . 0.0 103.212 170.693 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.223 17.9 m170 -110.68 -162.59 0.8 Allowed 'General case' 0 C--N 1.386 2.196 0 C-N-CA 127.054 2.142 . . . . 0.0 111.479 177.861 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.579 ' H ' ' HA ' ' A' ' 11' ' ' PRO . 24.8 mt 68.77 -174.21 0.19 Allowed 'General case' 0 C--N 1.38 1.902 0 C-N-CA 126.554 1.942 . . . . 0.0 114.598 175.668 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.76 -82.89 1.61 Allowed Glycine 0 C--N 1.383 3.194 0 N-CA-C 108.207 -1.957 . . . . 0.0 108.207 -179.283 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 85.3 m -117.73 -38.66 3.24 Favored 'General case' 0 C--N 1.378 1.817 0 C-N-CA 124.892 1.277 . . . . 0.0 110.438 -178.155 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -124.94 126.09 25.31 Favored Pre-proline 0 C--N 1.385 2.122 0 CA-C-O 118.034 -0.984 . . . . 0.0 108.908 -177.196 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.579 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 95.4 Cg_exo -87.64 -11.78 4.74 Favored 'Trans proline' 0 C--N 1.407 3.658 0 N-CA-C 121.476 3.606 . . . . 0.0 121.476 179.475 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -88.11 -19.17 2.09 Favored 'Trans proline' 0 C--N 1.4 3.261 1 N-CA-C 126.821 5.662 . . . . 0.0 126.821 -173.446 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 80.0 p -73.77 136.18 43.6 Favored 'General case' 0 C--N 1.395 2.558 0 CA-C-N 124.836 3.471 . . . . 0.0 112.278 -173.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 51.1 p -131.75 137.07 48.05 Favored 'General case' 0 C--N 1.376 1.757 0 CA-C-N 112.78 -2.009 . . . . 0.0 105.58 177.467 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -118.38 114.1 22.41 Favored 'General case' 0 C--N 1.384 2.081 0 CA-C-O 122.659 1.219 . . . . 0.0 110.705 -161.627 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.7 m -82.98 114.61 21.37 Favored 'General case' 0 C--N 1.387 2.236 0 N-CA-C 104.619 -2.363 . . . . 0.0 104.619 175.392 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 t -119.9 148.89 42.95 Favored 'General case' 0 C--N 1.39 2.331 0 O-C-N 120.962 -1.086 . . . . 0.0 112.245 -173.562 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.432 ' CD ' ' H ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -96.23 -14.78 22.44 Favored 'General case' 0 C--N 1.383 2.034 0 C-N-CA 125.707 1.603 . . . . 0.0 111.812 177.526 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -78.58 130.09 35.55 Favored 'General case' 0 C--N 1.394 2.521 0 N-CA-C 104.386 -2.45 . . . . 0.0 104.386 170.179 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.485 ' CG ' HH21 ' A' ' 1' ' ' ARG 2.11 31.6 m-20 -68.4 11.18 0.18 Allowed 'General case' 0 C--N 1.385 2.132 0 C-N-CA 127.734 2.414 . . . . 0.0 117.494 -169.095 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.1 m -153.81 152.07 30.27 Favored 'General case' 0 C--N 1.381 1.973 0 CA-C-N 121.487 1.948 . . . . 0.0 109.15 -177.334 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.0 p -140.62 160.51 39.86 Favored 'General case' 0 C--N 1.38 1.91 0 CA-C-N 114.059 -1.428 . . . . 0.0 112.085 -177.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -123.52 149.14 45.56 Favored 'General case' 0 C--N 1.376 1.733 0 CA-C-N 113.904 -1.498 . . . . 0.0 113.19 -166.747 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.532 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 0.7 OUTLIER -113.44 111.34 21.79 Favored 'General case' 0 C--N 1.386 2.194 0 N-CA-C 104.669 -2.345 . . . . 0.0 104.669 178.217 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.546 ' H ' ' HB3' ' A' ' 35' ' ' ARG . 1.1 t30 -116.46 118.19 32.0 Favored 'General case' 0 CA--C 1.585 2.312 0 N-CA-C 102.633 -3.099 . . . . 0.0 102.633 -177.494 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.71 -24.32 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.401 2.818 0 N-CA-C 117.687 2.477 . . . . 0.0 117.687 -152.858 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.597 ' N ' ' CD1' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -61.54 -101.52 0.0 OUTLIER 'General case' 0 CA--C 1.587 2.391 0 C-N-CA 130.743 3.617 . . . . 0.0 107.474 166.307 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.7 t 73.78 153.99 0.15 Allowed 'General case' 0 C--N 1.394 2.531 0 CA-C-O 123.227 1.489 . . . . 0.0 109.765 -176.242 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -68.13 -32.54 72.89 Favored 'General case' 0 C--N 1.382 2.003 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.794 179.785 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 51.7 p30 -82.66 0.77 41.65 Favored 'General case' 0 CA--C 1.581 2.145 0 C-N-CA 126.343 1.857 . . . . 0.0 112.846 177.724 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 66.85 69.17 0.41 Allowed 'General case' 0 C--N 1.397 2.666 0 CA-C-N 122.164 2.256 . . . . 0.0 106.951 174.121 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 tp -162.39 162.68 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.395 2.561 0 C-N-CA 118.342 -1.343 . . . . 0.0 114.086 -172.415 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 44.3 mt -94.75 98.14 7.69 Favored 'Isoleucine or valine' 0 C--N 1.388 2.255 0 N-CA-C 105.807 -1.923 . . . . 0.0 105.807 176.898 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.401 HH11 ' HG2' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -141.15 115.03 9.09 Favored 'General case' 0 C--N 1.383 2.048 0 N-CA-C 103.347 -2.834 . . . . 0.0 103.347 -177.263 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.546 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -159.15 -167.42 2.07 Favored 'General case' 0 C--N 1.385 2.137 0 CA-C-N 113.275 -1.784 . . . . 0.0 111.905 -158.659 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 178.59 -164.14 32.46 Favored Glycine 0 C--N 1.39 3.533 1 C-N-CA 113.057 -4.402 . . . . 0.0 119.236 -172.132 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 40.0 t -86.75 112.32 21.57 Favored 'General case' 0 C--N 1.387 2.212 0 CA-C-N 114.118 -1.041 . . . . 0.0 109.029 -176.804 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.23 -82.04 0.05 OUTLIER Glycine 0 C--N 1.393 3.719 0 N-CA-C 105.352 -3.099 . . . . 0.0 105.352 173.322 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.374 17.6 t 64.37 -153.74 0.3 Allowed 'General case' 0 C--N 1.39 2.353 0 C-N-CA 119.115 -1.034 . . . . 0.0 111.061 -177.066 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 50.41 54.2 11.57 Favored 'General case' 0 C--N 1.385 2.132 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 174.098 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.8 t -113.93 93.81 31.13 Favored Pre-proline 0 C--N 1.399 2.718 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 -176.157 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -91.18 62.44 1.23 Allowed 'Trans proline' 0 C--N 1.402 3.352 0 N-CA-C 105.599 -2.5 . . . . 0.0 105.599 175.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -126.28 110.56 13.55 Favored 'General case' 0 C--N 1.389 2.284 0 N-CA-C 105.918 -1.882 . . . . 0.0 105.918 -178.37 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -103.74 -27.87 6.18 Favored Glycine 0 C--N 1.395 3.854 0 CA-C-O 116.694 -2.17 . . . . 0.0 114.748 -179.575 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -83.32 19.44 1.51 Allowed 'General case' 0 C--N 1.392 2.435 0 CA-C-N 121.787 2.794 . . . . 0.0 112.236 178.267 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 25.9 ttp -167.31 98.31 0.63 Allowed Pre-proline 0 C--N 1.375 1.685 0 N-CA-C 100.836 -3.764 . . . . 0.0 100.836 179.899 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -73.57 124.74 9.55 Favored 'Trans proline' 0 C--N 1.394 2.942 0 C-N-CA 117.515 -1.19 . . . . 0.0 110.232 -173.05 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.65 178.64 42.09 Favored Glycine 0 C--N 1.388 3.47 0 O-C-N 121.258 -0.901 . . . . 0.0 112.835 178.028 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -61.2 156.23 46.57 Favored 'Trans proline' 0 C--N 1.39 2.723 0 N-CA-C 107.903 -1.614 . . . . 0.0 107.903 169.732 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 6.8 p90 -74.39 147.66 41.92 Favored 'General case' 0 C--N 1.392 2.422 0 C-N-CA 117.418 -1.713 . . . . 0.0 110.076 -178.808 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 23.6 m -118.02 155.4 30.38 Favored 'General case' 0 C--N 1.389 2.286 0 CA-C-O 124.3 2.0 . . . . 0.0 115.258 -171.745 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 45.3 t -134.97 167.91 20.06 Favored 'General case' 0 C--N 1.375 1.7 0 CA-C-N 111.287 -2.688 . . . . 0.0 111.052 -178.202 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -146.99 46.37 1.17 Allowed 'General case' 0 C--N 1.379 1.858 0 CA-C-N 115.619 -0.718 . . . . 0.0 109.629 -179.191 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.5 p -137.3 174.11 10.95 Favored 'General case' 0 C--N 1.386 2.16 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 -175.608 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.481 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 26.2 t0 -73.82 129.37 37.77 Favored 'General case' 0 C--N 1.394 2.529 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 173.957 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.481 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 41.3 mmtm 73.4 -53.73 0.69 Allowed 'General case' 0 C--N 1.387 2.203 0 C-N-CA 128.09 2.556 . . . . 0.0 113.279 175.432 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 78.2 m 74.52 39.01 0.47 Allowed 'General case' 0 C--N 1.38 1.922 0 C-N-CA 125.826 1.65 . . . . 0.0 110.643 -177.508 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.298 0.2 OUTLIER 56.27 70.51 0.64 Allowed 'General case' 0 C--N 1.391 2.386 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 170.167 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.532 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 14.9 tp . . . . . 0 C--N 1.389 2.308 0 C-N-CA 126.766 2.026 . . . . 0.0 106.307 173.961 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.497 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.534 3.761 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.8 mp -96.26 130.22 45.23 Favored 'Isoleucine or valine' 0 C--N 1.391 2.389 0 CA-C-O 122.106 0.955 . . . . 0.0 110.742 -175.437 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.9 m -140.99 155.19 46.26 Favored 'General case' 0 C--N 1.389 2.316 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 166.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -95.21 152.34 18.45 Favored 'General case' 0 C--N 1.386 2.173 0 N-CA-C 113.5 0.926 . . . . 0.0 113.5 -165.832 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.0 p-10 -136.8 32.26 2.72 Favored 'General case' 0 C--N 1.392 2.428 0 C-N-CA 118.987 -1.085 . . . . 0.0 111.777 -174.77 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.212 5.5 m170 -81.25 -145.27 0.05 Allowed 'General case' 0 C--N 1.383 2.042 0 CA-C-O 122.513 1.149 . . . . 0.0 111.24 -173.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.627 ' H ' ' HA ' ' A' ' 11' ' ' PRO . 92.2 mt 62.48 -179.2 0.14 Allowed 'General case' 0 C--N 1.384 2.077 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 172.629 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 46.24 61.3 4.12 Favored Glycine 0 C--N 1.39 3.549 0 CA-C-O 116.71 -2.161 . . . . 0.0 112.117 175.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.2 m 115.83 -41.16 0.01 OUTLIER 'General case' 0 C--N 1.394 2.518 0 C-N-CA 128.984 2.914 . . . . 0.0 110.51 175.739 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -140.57 110.22 6.79 Favored Pre-proline 0 CA--C 1.581 2.157 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -176.362 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.627 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 88.8 Cg_exo -79.52 -6.48 14.55 Favored 'Trans proline' 0 CA--C 1.593 3.454 1 N-CA-C 124.051 4.597 . . . . 0.0 124.051 -177.003 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -92.71 -23.07 0.35 Allowed 'Trans proline' 0 C--N 1.398 3.183 1 N-CA-C 125.353 5.097 . . . . 0.0 125.353 -171.944 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.2 p -84.56 161.61 20.13 Favored 'General case' 0 C--N 1.393 2.464 0 CA-C-N 123.409 2.822 . . . . 0.0 118.22 -170.374 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 35.3 p -139.41 154.62 47.84 Favored 'General case' 0 C--N 1.377 1.798 0 CA-C-N 110.444 -3.071 . . . . 0.0 109.954 -172.65 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -121.07 96.87 5.27 Favored 'General case' 0 C--N 1.383 2.05 0 N-CA-C 108.069 -1.086 . . . . 0.0 108.069 -171.221 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.1 t -78.83 116.35 19.11 Favored 'General case' 0 C--N 1.393 2.476 0 N-CA-C 103.269 -2.863 . . . . 0.0 103.269 170.499 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.6 t -140.67 148.46 40.87 Favored 'General case' 0 C--N 1.394 2.506 0 CA-C-O 123.566 1.65 . . . . 0.0 113.365 -164.238 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -95.41 22.01 7.45 Favored 'General case' 0 C--N 1.381 1.948 0 CA-C-N 112.494 -2.139 . . . . 0.0 112.879 -176.57 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -104.02 121.78 43.88 Favored 'General case' 0 C--N 1.383 2.024 0 N-CA-C 102.518 -3.142 . . . . 0.0 102.518 170.471 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.497 ' OD2' ' N ' ' A' ' 1' ' ' ARG 2.17 58.5 m-20 -63.89 2.89 0.44 Allowed 'General case' 0 C--N 1.388 2.271 0 C-N-CA 126.404 1.882 . . . . 0.0 115.577 -172.98 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.2 p -152.55 159.0 43.31 Favored 'General case' 0 C--N 1.383 2.025 0 CA-C-N 120.317 1.417 . . . . 0.0 108.609 179.249 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 5.5 p -139.87 163.21 33.24 Favored 'General case' 0 C--N 1.376 1.722 0 CA-C-N 114.527 -1.215 . . . . 0.0 111.358 178.717 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -120.02 155.84 32.08 Favored 'General case' 0 C--N 1.374 1.654 0 CA-C-O 122.692 1.234 . . . . 0.0 113.555 -171.772 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.414 ' HZ3' ' C ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -108.25 112.62 25.2 Favored 'General case' 0 CA--C 1.581 2.165 0 N-CA-C 103.42 -2.808 . . . . 0.0 103.42 174.504 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.586 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 4.2 t30 -117.06 120.26 37.82 Favored 'General case' 0 CA--C 1.584 2.25 0 N-CA-C 103.027 -2.953 . . . . 0.0 103.027 179.358 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -132.91 -27.98 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.402 2.884 0 N-CA-C 118.506 2.78 . . . . 0.0 118.506 -153.847 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.586 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -66.1 -110.2 0.0 OUTLIER 'General case' 0 CA--C 1.585 2.292 1 C-N-CA 133.242 4.617 . . . . 0.0 108.229 176.321 . . . . . . . . 4 4 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 t 79.34 157.39 0.16 Allowed 'General case' 0 C--N 1.395 2.572 0 C-N-CA 124.755 1.222 . . . . 0.0 112.325 179.087 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -65.68 -52.97 47.32 Favored 'General case' 0 C--N 1.397 2.637 0 N-CA-C 106.616 -1.624 . . . . 0.0 106.616 172.699 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -78.42 87.07 4.44 Favored 'General case' 0 C--N 1.382 2.014 0 N-CA-C 103.664 -2.717 . . . . 0.0 103.664 173.754 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.3 t30 -52.28 112.6 0.83 Allowed 'General case' 0 C--N 1.397 2.638 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -168.578 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 tp -170.62 157.96 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.4 2.795 0 C-N-CA 118.536 -1.266 . . . . 0.0 112.874 -174.621 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.8 mp -98.95 99.89 9.44 Favored 'Isoleucine or valine' 0 C--N 1.388 2.274 0 N-CA-C 104.563 -2.384 . . . . 0.0 104.563 179.578 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.68 107.02 5.79 Favored 'General case' 0 C--N 1.38 1.915 0 N-CA-C 102.021 -3.326 . . . . 0.0 102.021 -174.894 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.474 ' HB3' ' H ' ' A' ' 25' ' ' ASN 0.254 0.0 OUTLIER -147.29 -165.17 2.18 Favored 'General case' 0 C--N 1.386 2.19 0 CA-C-N 113.977 -1.465 . . . . 0.0 113.476 -158.763 . . . . . . . . 4 4 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 174.29 -175.98 46.66 Favored Glycine 0 C--N 1.395 3.809 1 C-N-CA 113.078 -4.392 . . . . 0.0 119.859 -169.726 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 27.6 p -85.9 118.02 25.12 Favored 'General case' 0 C--N 1.393 2.458 0 CA-C-O 123.311 1.529 . . . . 0.0 109.727 -178.64 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -168.5 -94.61 0.1 OUTLIER Glycine 0 C--N 1.391 3.613 0 N-CA-C 104.081 -3.608 . . . . 0.0 104.081 175.448 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.345 51.1 t 71.52 -158.37 0.12 Allowed 'General case' 0 C--N 1.386 2.181 0 CA-C-O 122.007 0.908 . . . . 0.0 112.421 179.003 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 53.35 42.96 32.0 Favored 'General case' 0 CA--C 1.58 2.13 0 CA-C-N 114.959 -1.018 . . . . 0.0 108.417 177.082 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 6.0 t -118.12 141.5 29.51 Favored Pre-proline 0 C--N 1.39 2.33 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 178.015 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -60.05 131.88 41.6 Favored 'Trans proline' 0 C--N 1.396 3.041 0 N-CA-C 107.062 -1.938 . . . . 0.0 107.062 175.767 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.6 tpt85 -147.58 98.28 2.96 Favored 'General case' 0 C--N 1.385 2.114 0 N-CA-C 105.319 -2.104 . . . . 0.0 105.319 179.679 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -95.02 -92.94 1.7 Allowed Glycine 0 C--N 1.389 3.502 1 N-CA-C 102.129 -4.388 . . . . 0.0 102.129 167.645 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.332 1.0 OUTLIER -149.41 63.35 1.02 Allowed 'General case' 0 C--N 1.389 2.292 0 N-CA-C 106.256 -1.757 . . . . 0.0 106.256 165.204 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.4 ptt? -121.62 -154.33 0.02 OUTLIER Pre-proline 0 CA--C 1.599 2.854 0 CA-C-N 112.998 -1.91 . . . . 0.0 108.277 171.043 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -66.13 154.1 75.43 Favored 'Trans proline' 0 C--N 1.401 3.314 0 CA-C-N 121.462 1.558 . . . . 0.0 113.386 177.884 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 132.4 144.27 5.26 Favored Glycine 0 C--N 1.39 3.535 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -179.621 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -71.74 165.23 33.18 Favored 'Trans proline' 0 C--N 1.39 2.754 0 N-CA-C 108.273 -1.472 . . . . 0.0 108.273 168.782 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.402 ' CE2' ' HB3' ' A' ' 24' ' ' LYS . 6.5 p90 -96.39 145.1 25.93 Favored 'General case' 0 C--N 1.383 2.028 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 178.378 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 7.2 m -119.56 157.94 27.35 Favored 'General case' 0 C--N 1.391 2.405 0 N-CA-C 116.733 2.123 . . . . 0.0 116.733 -165.72 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.4 t -134.86 160.43 38.27 Favored 'General case' 0 C--N 1.382 1.99 0 CA-C-N 113.295 -1.775 . . . . 0.0 110.251 177.221 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -134.95 53.89 1.97 Allowed 'General case' 0 C--N 1.386 2.161 0 CA-C-O 122.512 1.148 . . . . 0.0 110.536 -172.761 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 27.0 t -151.32 169.92 20.78 Favored 'General case' 0 C--N 1.377 1.788 0 C-N-CA 126.618 1.967 . . . . 0.0 107.633 174.108 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.538 ' CG ' ' NZ ' ' A' ' 56' ' ' LYS . 35.3 p-10 -69.37 140.15 54.21 Favored 'General case' 0 C--N 1.388 2.25 0 C-N-CA 117.302 -1.759 . . . . 0.0 108.468 172.734 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.538 ' NZ ' ' CG ' ' A' ' 55' ' ' ASP . 1.0 OUTLIER 70.71 -80.35 0.04 OUTLIER 'General case' 0 C--N 1.391 2.372 0 C-N-CA 125.384 1.474 . . . . 0.0 111.173 177.244 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.26 56.9 m 68.03 70.88 0.32 Allowed 'General case' 0 C--N 1.384 2.071 0 N-CA-C 102.731 -3.063 . . . . 0.0 102.731 -165.62 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.25 29.3 t30 81.18 -62.76 0.19 Allowed 'General case' 0 C--N 1.39 2.342 0 C-N-CA 129.813 3.245 . . . . 0.0 108.797 -178.64 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.414 ' C ' ' HZ3' ' A' ' 24' ' ' LYS . 2.5 pt? . . . . . 0 CA--C 1.58 2.134 0 N-CA-C 103.888 -2.634 . . . . 0.0 103.888 175.91 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 1 N--CA 1.546 4.367 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.4 mp -93.14 124.26 45.51 Favored 'Isoleucine or valine' 0 C--N 1.395 2.561 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 178.064 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -142.38 178.96 7.23 Favored 'General case' 0 C--N 1.385 2.126 0 O-C-N 121.34 -0.85 . . . . 0.0 109.75 173.212 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -107.31 160.59 15.5 Favored 'General case' 0 C--N 1.382 1.985 0 N-CA-C 113.3 0.852 . . . . 0.0 113.3 -172.547 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 45.0 p-10 -158.74 36.05 0.22 Allowed 'General case' 0 C--N 1.392 2.42 0 C-N-CA 118.966 -1.094 . . . . 0.0 109.797 -179.678 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.2 6.7 m170 -77.26 -159.62 0.14 Allowed 'General case' 0 C--N 1.384 2.097 0 C-N-CA 125.061 1.344 . . . . 0.0 112.848 -176.888 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.509 ' H ' ' HA ' ' A' ' 11' ' ' PRO 0.342 84.7 mt 69.04 -176.33 0.2 Allowed 'General case' 0 C--N 1.384 2.066 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 172.05 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.51 -97.36 1.82 Allowed Glycine 0 C--N 1.384 3.242 0 N-CA-C 106.382 -2.687 . . . . 0.0 106.382 -167.236 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.0 m -103.32 -43.0 5.56 Favored 'General case' 0 C--N 1.383 2.022 0 C-N-CA 124.412 1.085 . . . . 0.0 111.227 -178.121 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 72.8 mttt -117.33 121.18 32.54 Favored Pre-proline 0 C--N 1.385 2.139 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -174.78 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.509 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 91.1 Cg_exo -81.78 -19.86 6.99 Favored 'Trans proline' 0 CA--C 1.59 3.318 0 N-CA-C 119.377 2.799 . . . . 0.0 119.377 -179.868 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.6 OUTLIER -79.27 -15.34 12.77 Favored 'Trans proline' 0 C--N 1.4 3.246 1 N-CA-C 127.877 6.068 . . . . 0.0 127.877 -174.568 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.7 p -82.28 137.01 34.95 Favored 'General case' 0 C--N 1.397 2.644 1 CA-C-N 126.503 4.229 . . . . 0.0 114.707 -172.436 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 58.8 p -142.44 141.32 32.18 Favored 'General case' 0 C--N 1.376 1.757 0 C-N-CA 129.188 2.995 . . . . 0.0 105.357 178.649 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -168.55 153.41 6.21 Favored 'General case' 0 C--N 1.387 2.208 0 C-N-CA 115.021 -2.672 . . . . 0.0 114.21 -165.895 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.1 t -73.23 132.25 42.95 Favored 'General case' 0 C--N 1.386 2.164 0 CA-C-N 113.548 -1.66 . . . . 0.0 108.032 175.895 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.6 t -127.84 150.34 49.89 Favored 'General case' 0 C--N 1.381 1.936 0 CA-C-O 123.828 1.775 . . . . 0.0 110.41 179.761 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -90.36 -18.76 24.93 Favored 'General case' 0 C--N 1.376 1.757 0 CA-C-N 111.906 -2.406 . . . . 0.0 112.046 -174.105 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -76.01 124.59 27.63 Favored 'General case' 0 C--N 1.394 2.518 0 N-CA-C 105.323 -2.102 . . . . 0.0 105.323 172.805 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.109 37.2 m-20 -66.23 4.73 0.65 Allowed 'General case' 0 CA--C 1.581 2.166 0 C-N-CA 127.824 2.449 . . . . 0.0 116.443 -172.027 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.0 t -140.91 139.82 34.4 Favored 'General case' 0 C--N 1.382 1.984 0 CA-C-N 120.727 1.603 . . . . 0.0 107.705 -178.087 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.2 p -140.14 140.3 35.96 Favored 'General case' 0 C--N 1.388 2.272 0 CA-C-O 124.089 1.899 . . . . 0.0 110.585 179.683 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 26.9 p90 -127.51 155.2 44.12 Favored 'General case' 0 C--N 1.384 2.101 0 CA-C-N 113.313 -1.767 . . . . 0.0 115.449 -158.265 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -98.02 107.26 19.7 Favored 'General case' 0 C--N 1.389 2.313 0 N-CA-C 106.082 -1.821 . . . . 0.0 106.082 -179.132 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.514 ' H ' ' HB3' ' A' ' 35' ' ' ARG . 2.0 t30 -117.58 117.48 29.52 Favored 'General case' 0 CA--C 1.58 2.128 0 N-CA-C 104.924 -2.251 . . . . 0.0 104.924 -177.686 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -125.06 -22.15 2.41 Favored 'Isoleucine or valine' 0 C--N 1.393 2.49 0 N-CA-C 115.856 1.798 . . . . 0.0 115.856 -154.636 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.53 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -84.75 -99.25 0.06 Allowed 'General case' 0 CA--C 1.578 2.054 1 C-N-CA 134.206 5.002 . . . . 0.0 107.865 179.496 . . . . . . . . 4 4 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.2 t 72.92 157.4 0.19 Allowed 'General case' 0 C--N 1.393 2.464 0 C-N-CA 124.903 1.281 . . . . 0.0 108.882 -174.101 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -60.21 -54.37 46.65 Favored 'General case' 0 C--N 1.387 2.234 0 N-CA-C 107.694 -1.225 . . . . 0.0 107.694 177.245 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -65.54 105.48 1.21 Allowed 'General case' 0 C--N 1.381 1.974 0 N-CA-C 103.813 -2.662 . . . . 0.0 103.813 168.406 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -63.09 110.9 1.97 Allowed 'General case' 0 C--N 1.403 2.923 0 O-C-N 120.199 -1.563 . . . . 0.0 106.971 -172.385 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.6 tp -173.3 151.93 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.396 2.623 0 CA-C-O 122.732 1.253 . . . . 0.0 110.158 -168.957 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 24.1 mt -85.41 115.79 27.61 Favored 'Isoleucine or valine' 0 C--N 1.386 2.175 0 N-CA-C 104.484 -2.413 . . . . 0.0 104.484 172.109 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.442 HH11 ' HG2' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -155.77 85.85 1.05 Allowed 'General case' 0 C--N 1.386 2.174 0 N-CA-C 102.147 -3.279 . . . . 0.0 102.147 -179.157 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.514 ' HB3' ' H ' ' A' ' 25' ' ' ASN 0.255 0.0 OUTLIER -110.81 -170.85 1.71 Allowed 'General case' 0 C--N 1.374 1.633 0 CA-C-N 110.715 -2.948 . . . . 0.0 114.081 -168.39 . . . . . . . . 4 4 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -179.76 -173.23 44.63 Favored Glycine 0 C--N 1.398 3.975 1 C-N-CA 111.881 -4.961 . . . . 0.0 119.283 -169.026 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.8 p -104.89 106.37 16.83 Favored 'General case' 0 C--N 1.383 2.048 0 CA-C-O 122.931 1.348 . . . . 0.0 108.337 -179.386 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.78 -87.87 0.07 OUTLIER Glycine 0 C--N 1.389 3.508 0 N-CA-C 104.373 -3.491 . . . . 0.0 104.373 177.283 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.367 36.0 t 68.01 -144.74 0.12 Allowed 'General case' 0 C--N 1.389 2.31 0 CA-C-O 122.174 0.988 . . . . 0.0 110.366 177.603 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 51.78 34.54 13.37 Favored 'General case' 0 C--N 1.385 2.142 0 C-N-CA 124.758 1.223 . . . . 0.0 110.508 177.756 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -126.89 103.23 24.07 Favored Pre-proline 0 C--N 1.381 1.972 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 -175.035 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -55.16 141.84 79.23 Favored 'Trans proline' 0 C--N 1.393 2.874 0 C-N-CA 120.958 1.105 . . . . 0.0 110.259 172.818 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.424 HH12 ' CG ' ' A' ' 45' ' ' ASP . 9.2 ttt-85 -99.69 100.13 11.07 Favored 'General case' 0 C--N 1.386 2.165 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 -178.818 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.55 -93.01 0.52 Allowed Glycine 0 C--N 1.395 3.815 0 N-CA-C 103.149 -3.98 . . . . 0.0 103.149 169.132 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.424 ' CG ' HH12 ' A' ' 43' ' ' ARG 0.383 0.3 OUTLIER -138.3 47.15 2.0 Favored 'General case' 0 C--N 1.392 2.43 0 CA-C-O 122.705 1.24 . . . . 0.0 107.769 163.971 . . . . . . . . 4 4 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 54.8 mtm -97.48 156.22 36.4 Favored Pre-proline 0 C--N 1.388 2.264 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 168.099 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -68.56 97.33 0.53 Allowed 'Trans proline' 0 C--N 1.39 2.753 0 N-CA-C 107.009 -1.958 . . . . 0.0 107.009 176.43 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -121.63 112.61 2.1 Favored Glycine 0 CA--C 1.568 3.352 0 N-CA-C 104.935 -3.266 . . . . 0.0 104.935 178.59 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -54.47 164.33 3.05 Favored 'Trans proline' 0 C--N 1.388 2.649 0 C-N-CA 121.485 1.457 . . . . 0.0 110.936 173.819 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 25.3 p90 -81.04 126.4 31.38 Favored 'General case' 0 C--N 1.386 2.178 0 N-CA-C 104.157 -2.534 . . . . 0.0 104.157 177.338 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 30.2 m -113.72 141.11 47.66 Favored 'General case' 0 C--N 1.393 2.482 0 CA-C-O 122.812 1.292 . . . . 0.0 112.355 -165.045 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 19.4 t -112.9 168.57 9.58 Favored 'General case' 0 C--N 1.383 2.055 0 C-N-CA 124.61 1.164 . . . . 0.0 111.175 178.184 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -133.68 44.55 2.76 Favored 'General case' 0 C--N 1.384 2.078 0 CA-C-O 121.26 0.552 . . . . 0.0 110.775 178.46 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.4 t -142.5 172.57 12.51 Favored 'General case' 0 C--N 1.384 2.094 0 CA-C-O 121.047 0.451 . . . . 0.0 110.681 177.574 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.535 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 26.2 t70 -68.16 103.1 1.47 Allowed 'General case' 0 CA--C 1.587 2.402 0 N-CA-C 105.001 -2.222 . . . . 0.0 105.001 -177.342 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.535 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.276 7.5 mptt 72.54 -63.99 0.41 Allowed 'General case' 0 C--N 1.397 2.652 0 C-N-CA 127.933 2.493 . . . . 0.0 111.99 -179.894 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 31.5 p 53.91 57.67 5.79 Favored 'General case' 0 C--N 1.383 2.062 0 C-N-CA 127.508 2.323 . . . . 0.0 105.658 -173.406 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.0 m120 66.42 91.69 0.08 Allowed 'General case' 0 C--N 1.394 2.52 0 C-N-CA 125.649 1.58 . . . . 0.0 107.01 178.256 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 24.1 tp . . . . . 0 C--N 1.39 2.326 0 CA-C-O 115.453 -2.213 . . . . 0.0 105.626 175.413 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.3 tpp85 . . . . . 1 N--CA 1.541 4.104 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.0 mp -91.04 118.41 36.24 Favored 'Isoleucine or valine' 0 C--N 1.394 2.511 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 -178.187 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -140.49 149.04 42.0 Favored 'General case' 0 C--N 1.389 2.287 0 CA-C-O 122.879 1.323 . . . . 0.0 109.354 174.277 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -68.42 157.79 35.06 Favored 'General case' 0 C--N 1.383 2.048 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -170.261 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 29.4 p-10 -135.16 36.25 3.02 Favored 'General case' 0 C--N 1.39 2.35 0 C-N-CA 119.434 -0.906 . . . . 0.0 108.837 170.25 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.232 22.4 m170 -77.27 -174.15 3.13 Favored 'General case' 0 C--N 1.393 2.486 0 N-CA-C 117.519 2.414 . . . . 0.0 117.519 -163.689 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.8 mt 68.43 -170.34 0.18 Allowed 'General case' 0 C--N 1.387 2.203 0 N-CA-C 114.928 1.455 . . . . 0.0 114.928 172.785 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.74 -52.38 4.2 Favored Glycine 0 C--N 1.387 3.384 0 CA-C-N 114.856 -1.066 . . . . 0.0 111.374 -176.526 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.5 m -160.95 -38.05 0.05 OUTLIER 'General case' 0 C--N 1.377 1.775 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 -175.374 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -117.77 116.18 36.62 Favored Pre-proline 0 CA--C 1.585 2.296 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 -179.245 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_exo -86.23 -11.26 6.36 Favored 'Trans proline' 0 C--N 1.406 3.556 0 N-CA-C 120.645 3.286 . . . . 0.0 120.645 178.739 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -85.74 -16.21 4.62 Favored 'Trans proline' 0 C--N 1.399 3.189 1 N-CA-C 126.052 5.366 . . . . 0.0 126.052 -174.025 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.4 p -94.54 155.57 16.85 Favored 'General case' 0 C--N 1.394 2.504 0 CA-C-N 125.321 3.691 . . . . 0.0 116.455 -173.355 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 73.7 p -132.16 150.73 52.08 Favored 'General case' 0 C--N 1.378 1.818 0 CA-C-N 112.035 -2.348 . . . . 0.0 108.963 178.754 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -98.81 102.54 14.31 Favored 'General case' 0 C--N 1.376 1.741 0 N-CA-C 106.341 -1.726 . . . . 0.0 106.341 -174.764 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 33.5 m -73.01 103.51 3.81 Favored 'General case' 0 C--N 1.395 2.581 0 N-CA-C 100.982 -3.71 . . . . 0.0 100.982 169.037 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.1 t -121.33 150.66 41.11 Favored 'General case' 0 C--N 1.388 2.278 0 CA-C-O 124.194 1.95 . . . . 0.0 113.096 -166.721 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.3 mp0 -82.34 -17.71 44.72 Favored 'General case' 0 C--N 1.376 1.741 0 CA-C-N 111.893 -2.412 . . . . 0.0 111.291 -179.514 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -71.3 133.89 46.38 Favored 'General case' 0 C--N 1.395 2.574 0 CA-C-N 121.229 1.831 . . . . 0.0 107.429 175.481 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.122 93.8 m-20 -56.14 -35.0 66.63 Favored 'General case' 0 C--N 1.383 2.031 0 C-N-CA 130.946 3.698 . . . . 0.0 114.644 -175.166 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.3 t -131.54 163.99 26.8 Favored 'General case' 0 C--N 1.379 1.863 0 C-N-CA 125.932 1.693 . . . . 0.0 110.509 -174.57 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.6 p -147.81 150.44 34.2 Favored 'General case' 0 C--N 1.395 2.58 0 CA-C-O 123.824 1.773 . . . . 0.0 115.687 -178.594 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -112.29 157.18 21.26 Favored 'General case' 0 C--N 1.388 2.279 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 -164.922 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.578 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 59.7 mmtt -105.66 112.93 26.2 Favored 'General case' 0 C--N 1.384 2.098 0 C-N-CA 126.639 1.976 . . . . 0.0 107.569 178.692 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.594 HD21 HG22 ' A' ' 28' ' ' THR . 0.8 OUTLIER -115.81 118.81 34.06 Favored 'General case' 0 CA--C 1.583 2.244 0 N-CA-C 102.733 -3.062 . . . . 0.0 102.733 176.988 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.23 1.28 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.398 2.694 0 N-CA-C 117.179 2.289 . . . . 0.0 117.179 -156.131 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.506 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -104.69 -99.47 0.32 Allowed 'General case' 0 CA--C 1.58 2.12 1 C-N-CA 133.766 4.827 . . . . 0.0 106.62 -175.428 . . . . . . . . 4 4 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.594 HG22 HD21 ' A' ' 25' ' ' ASN 0.283 1.1 t 70.61 -179.48 0.23 Allowed 'General case' 0 C--N 1.39 2.335 0 C-N-CA 125.583 1.553 . . . . 0.0 112.116 -179.453 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -72.1 -62.76 1.31 Allowed 'General case' 0 C--N 1.388 2.273 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 174.479 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -64.7 110.69 2.46 Favored 'General case' 0 C--N 1.38 1.925 0 N-CA-C 102.728 -3.064 . . . . 0.0 102.728 170.649 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -68.74 102.47 1.53 Allowed 'General case' 0 C--N 1.396 2.628 0 N-CA-C 105.773 -1.936 . . . . 0.0 105.773 -168.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 tp -171.87 159.87 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.4 2.794 0 C-N-CA 116.078 -2.249 . . . . 0.0 112.95 -162.618 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.1 mt -97.67 118.33 43.97 Favored 'Isoleucine or valine' 0 C--N 1.39 2.339 0 N-CA-C 106.303 -1.739 . . . . 0.0 106.303 176.115 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.626 HH11 ' HG2' ' A' ' 34' ' ' ARG . 0.6 OUTLIER -159.64 84.94 0.76 Allowed 'General case' 0 C--N 1.384 2.08 0 N-CA-C 103.068 -2.938 . . . . 0.0 103.068 -172.971 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.554 ' HB3' ' H ' ' A' ' 25' ' ' ASN 0.25 0.0 OUTLIER -114.09 -165.71 1.03 Allowed 'General case' 0 C--N 1.374 1.642 0 CA-C-N 111.521 -2.581 . . . . 0.0 113.528 -166.406 . . . . . . . . 4 4 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -179.52 -177.36 47.76 Favored Glycine 0 C--N 1.39 3.576 0 C-N-CA 114.255 -3.831 . . . . 0.0 117.875 -178.94 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 22.1 p -73.16 126.51 30.21 Favored 'General case' 0 C--N 1.388 2.244 0 CA-C-O 122.874 1.321 . . . . 0.0 110.04 178.602 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.82 -82.2 0.05 OUTLIER Glycine 0 C--N 1.393 3.714 0 N-CA-C 105.867 -2.893 . . . . 0.0 105.867 173.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.286 53.9 t 89.08 -81.41 0.01 OUTLIER 'General case' 0 C--N 1.391 2.382 0 CA-C-O 123.408 1.575 . . . . 0.0 109.119 179.82 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -84.98 80.72 9.19 Favored 'General case' 0 CA--C 1.571 1.759 0 N-CA-C 106.119 -1.808 . . . . 0.0 106.119 -172.313 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.2 t -86.03 135.69 37.05 Favored Pre-proline 0 C--N 1.396 2.626 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.743 -176.356 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -78.45 -172.57 1.54 Allowed 'Trans proline' 0 C--N 1.402 3.345 0 N-CA-C 115.671 1.374 . . . . 0.0 115.671 179.001 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.57 125.4 25.65 Favored 'General case' 0 C--N 1.388 2.261 0 CA-C-N 113.896 -1.502 . . . . 0.0 108.105 179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -124.08 172.34 16.55 Favored Glycine 0 C--N 1.389 3.494 0 O-C-N 121.257 -0.902 . . . . 0.0 113.129 176.407 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -112.64 30.53 7.05 Favored 'General case' 0 C--N 1.381 1.942 0 CA-C-O 123.315 1.531 . . . . 0.0 110.082 176.3 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.0 ptp -157.69 146.44 14.53 Favored Pre-proline 0 CA--C 1.582 2.205 0 C-N-CA 127.808 2.443 . . . . 0.0 104.977 173.252 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -53.54 158.6 7.63 Favored 'Trans proline' 0 C--N 1.386 2.528 0 C-N-CA 121.806 1.67 . . . . 0.0 115.889 -178.597 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -102.15 164.72 17.01 Favored Glycine 0 C--N 1.389 3.484 0 CA-C-N 113.851 -1.522 . . . . 0.0 112.899 177.819 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_endo -82.07 171.2 13.02 Favored 'Trans proline' 0 C--N 1.384 2.425 0 C-N-CA 123.87 3.046 . . . . 0.0 110.941 176.211 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 41.1 p90 -101.41 155.81 17.83 Favored 'General case' 0 C--N 1.386 2.17 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.19 179.454 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 43.4 t -115.88 149.7 38.24 Favored 'General case' 0 C--N 1.394 2.518 0 N-CA-C 118.029 2.603 . . . . 0.0 118.029 -161.781 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.1 t -128.32 152.4 48.19 Favored 'General case' 0 C--N 1.384 2.088 0 C-N-CA 127.806 2.443 . . . . 0.0 107.7 168.613 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.6 68.31 1.24 Allowed 'General case' 0 C--N 1.376 1.736 0 N-CA-C 104.617 -2.364 . . . . 0.0 104.617 176.354 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 30.3 t -162.17 162.99 28.64 Favored 'General case' 0 C--N 1.38 1.907 0 C-N-CA 117.283 -1.767 . . . . 0.0 110.641 -176.486 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.51 ' OD1' ' NZ ' ' A' ' 56' ' ' LYS . 24.6 t0 -64.0 127.15 30.16 Favored 'General case' 0 CA--C 1.582 2.199 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 175.284 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.51 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 39.2 mmtm 78.71 -89.19 0.02 OUTLIER 'General case' 0 C--N 1.394 2.524 0 C-N-CA 125.211 1.404 . . . . 0.0 112.363 172.038 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.29 21.4 m 84.14 33.78 0.05 OUTLIER 'General case' 0 CA--C 1.597 2.757 0 C-N-CA 126.956 2.102 . . . . 0.0 112.34 -177.552 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.407 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 60.8 m-20 65.45 70.69 0.45 Allowed 'General case' 0 C--N 1.393 2.499 0 C-N-CA 125.71 1.604 . . . . 0.0 109.805 172.619 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.578 ' C ' ' NZ ' ' A' ' 24' ' ' LYS 0.256 0.9 OUTLIER . . . . . 0 CA--C 1.589 2.446 0 C-N-CA 126.844 2.057 . . . . 0.0 106.133 -179.244 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.458 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.534 3.759 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 69.2 mt -93.23 118.17 38.36 Favored 'Isoleucine or valine' 0 C--N 1.389 2.326 0 N-CA-C 106.673 -1.603 . . . . 0.0 106.673 177.343 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.6 m -136.06 160.13 39.59 Favored 'General case' 0 C--N 1.381 1.959 0 CA-C-N 115.118 -0.947 . . . . 0.0 108.692 174.07 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -98.05 136.65 37.99 Favored 'General case' 0 C--N 1.389 2.3 0 C-N-CA 118.342 -1.343 . . . . 0.0 110.738 -169.499 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -123.3 51.92 1.43 Allowed 'General case' 0 C--N 1.391 2.377 0 N-CA-C 106.324 -1.732 . . . . 0.0 106.324 173.756 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.145 3.6 m170 -86.69 -166.56 1.6 Allowed 'General case' 0 C--N 1.381 1.958 0 C-N-CA 126.968 2.107 . . . . 0.0 110.588 173.85 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.479 ' H ' ' HA ' ' A' ' 11' ' ' PRO 0.349 5.1 mp 75.43 -175.69 0.13 Allowed 'General case' 0 C--N 1.381 1.94 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 169.835 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.93 -41.65 2.5 Favored Glycine 0 C--N 1.387 3.401 0 N-CA-C 108.869 -1.692 . . . . 0.0 108.869 -162.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.2 m -175.98 -41.85 0.01 OUTLIER 'General case' 0 C--N 1.386 2.16 0 C-N-CA 125.844 1.658 . . . . 0.0 106.88 -175.858 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -111.36 109.75 56.21 Favored Pre-proline 0 CA--C 1.593 2.611 0 CA-C-O 117.632 -1.175 . . . . 0.0 109.609 -174.186 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.479 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 18.3 Cg_endo -83.71 7.23 5.32 Favored 'Trans proline' 0 CA--C 1.604 3.981 0 N-CA-C 121.937 3.783 . . . . 0.0 121.937 179.388 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -85.85 -24.5 1.77 Allowed 'Trans proline' 0 C--N 1.404 3.454 1 N-CA-C 125.627 5.203 . . . . 0.0 125.627 -175.36 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 73.9 p -78.58 141.99 37.66 Favored 'General case' 0 C--N 1.397 2.648 0 CA-C-N 125.001 3.546 . . . . 0.0 113.186 -175.573 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 73.0 p -124.76 147.34 48.72 Favored 'General case' 0 C--N 1.378 1.814 0 CA-C-N 112.237 -2.256 . . . . 0.0 109.172 -177.229 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -118.76 99.61 6.88 Favored 'General case' 0 C--N 1.379 1.869 0 CA-C-N 113.74 -1.573 . . . . 0.0 107.653 -163.13 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 96.8 m -87.56 94.45 9.72 Favored 'General case' 0 C--N 1.387 2.239 0 N-CA-C 103.084 -2.932 . . . . 0.0 103.084 179.199 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 21.5 t -118.13 152.25 35.99 Favored 'General case' 0 C--N 1.39 2.362 0 CA-C-O 123.332 1.539 . . . . 0.0 113.429 -167.841 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -87.32 -20.57 26.6 Favored 'General case' 0 C--N 1.381 1.938 0 CA-C-N 112.259 -2.246 . . . . 0.0 112.819 -176.112 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 36.1 mm-40 -65.12 135.8 55.94 Favored 'General case' 0 C--N 1.397 2.652 0 N-CA-C 105.315 -2.105 . . . . 0.0 105.315 167.841 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.117 39.1 m-20 -80.01 5.2 14.7 Favored 'General case' 0 C--N 1.386 2.164 0 C-N-CA 127.043 2.137 . . . . 0.0 115.64 -173.452 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 18.0 t -143.76 130.42 20.2 Favored 'General case' 0 C--N 1.378 1.842 0 N-CA-C 104.244 -2.502 . . . . 0.0 104.244 -177.438 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -125.99 144.02 50.87 Favored 'General case' 0 C--N 1.378 1.806 0 CA-C-O 123.999 1.857 . . . . 0.0 108.317 174.219 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -116.58 165.96 12.65 Favored 'General case' 0 C--N 1.369 1.448 0 CA-C-N 113.298 -1.774 . . . . 0.0 113.145 -168.085 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.413 ' NZ ' ' O ' ' A' ' 58' ' ' ASN . 2.1 tppt? -100.79 115.43 30.3 Favored 'General case' 0 CA--C 1.581 2.157 0 N-CA-C 103.719 -2.697 . . . . 0.0 103.719 178.149 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.434 HD21 HG22 ' A' ' 28' ' ' THR . 0.6 OUTLIER -115.9 119.35 35.68 Favored 'General case' 0 C--N 1.382 1.996 0 N-CA-C 101.805 -3.406 . . . . 0.0 101.805 179.609 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.58 -24.3 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.396 2.617 0 N-CA-C 115.938 1.829 . . . . 0.0 115.938 -151.544 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.553 ' N ' ' CD1' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -73.14 -110.78 0.01 OUTLIER 'General case' 0 CA--C 1.592 2.587 1 C-N-CA 133.027 4.531 . . . . 0.0 106.818 172.505 . . . . . . . . 4 4 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.434 HG22 HD21 ' A' ' 25' ' ' ASN . 6.5 t 75.19 151.59 0.12 Allowed 'General case' 0 C--N 1.397 2.635 0 C-N-CA 125.138 1.375 . . . . 0.0 109.541 -175.891 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -62.19 -54.72 36.95 Favored 'General case' 0 C--N 1.392 2.448 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 178.733 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -67.37 100.73 0.86 Allowed 'General case' 0 C--N 1.382 1.994 0 N-CA-C 102.648 -3.093 . . . . 0.0 102.648 168.381 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -63.15 115.86 4.87 Favored 'General case' 0 C--N 1.402 2.857 0 N-CA-C 106.055 -1.831 . . . . 0.0 106.055 -171.283 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 tp -168.2 155.93 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.394 2.51 0 CA-C-O 121.921 0.867 . . . . 0.0 110.086 -169.217 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 55.8 mt -95.67 111.92 26.99 Favored 'Isoleucine or valine' 0 C--N 1.388 2.265 0 N-CA-C 104.02 -2.585 . . . . 0.0 104.02 170.544 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.42 HH11 ' HG2' ' A' ' 34' ' ' ARG . 12.3 ttp85 -148.12 104.92 3.59 Favored 'General case' 0 C--N 1.381 1.95 0 N-CA-C 100.668 -3.827 . . . . 0.0 100.668 -177.824 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.35 -178.79 5.91 Favored 'General case' 0 C--N 1.387 2.216 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 -157.949 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 174.21 -172.78 45.62 Favored Glycine 0 C--N 1.396 3.913 1 C-N-CA 112.462 -4.685 . . . . 0.0 119.177 -171.842 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.5 p -75.75 113.73 13.55 Favored 'General case' 0 C--N 1.385 2.118 0 CA-C-O 123.791 1.758 . . . . 0.0 109.648 -176.855 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.13 -113.53 0.28 Allowed Glycine 0 C--N 1.389 3.527 0 N-CA-C 104.358 -3.497 . . . . 0.0 104.358 172.205 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.45 3.2 p 66.43 -154.2 0.24 Allowed 'General case' 0 C--N 1.39 2.354 0 N-CA-C 114.633 1.346 . . . . 0.0 114.633 173.507 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 68.14 49.48 0.85 Allowed 'General case' 0 C--N 1.388 2.247 0 CA-C-N 113.544 -1.662 . . . . 0.0 106.841 -175.952 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.6 t -125.92 141.73 40.29 Favored Pre-proline 0 C--N 1.395 2.55 0 C-N-CA 124.887 1.275 . . . . 0.0 109.925 -177.901 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_endo -94.02 179.25 0.92 Allowed 'Trans proline' 0 C--N 1.396 3.049 0 C-N-CA 122.153 1.902 . . . . 0.0 110.03 174.717 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.1 82.46 4.18 Favored 'General case' 0 C--N 1.391 2.405 0 N-CA-C 103.817 -2.66 . . . . 0.0 103.817 178.455 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -103.82 26.0 24.71 Favored Glycine 0 C--N 1.389 3.516 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 171.964 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.381 57.1 m-20 72.93 27.1 2.16 Favored 'General case' 0 C--N 1.382 2.0 0 C-N-CA 127.828 2.451 . . . . 0.0 111.887 -176.31 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 48.1 ttm -92.56 135.06 26.94 Favored Pre-proline 0 C--N 1.386 2.153 0 N-CA-C 106.182 -1.784 . . . . 0.0 106.182 168.909 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -82.2 79.31 3.14 Favored 'Trans proline' 0 C--N 1.4 3.25 0 N-CA-C 106.237 -2.255 . . . . 0.0 106.237 178.395 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -91.06 152.44 21.68 Favored Glycine 0 C--N 1.383 3.189 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 177.383 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_exo -54.93 167.46 1.59 Allowed 'Trans proline' 0 C--N 1.382 2.337 0 C-N-CA 122.371 2.047 . . . . 0.0 113.335 169.669 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.406 ' CD1' ' C ' ' A' ' 50' ' ' TYR . 0.0 OUTLIER -83.91 121.14 26.95 Favored 'General case' 0 CA--C 1.578 2.021 0 N-CA-C 102.638 -3.097 . . . . 0.0 102.638 177.125 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.6 m -109.57 134.61 51.72 Favored 'General case' 0 C--N 1.397 2.67 0 O-C-N 120.446 -1.409 . . . . 0.0 110.899 -166.276 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 10.9 t -126.06 158.57 35.08 Favored 'General case' 0 C--N 1.39 2.362 0 C-N-CA 123.814 0.846 . . . . 0.0 112.88 -172.92 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.18 40.5 3.66 Favored 'General case' 0 C--N 1.38 1.919 0 N-CA-C 112.662 0.616 . . . . 0.0 112.662 -175.381 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 64.9 m -132.42 160.54 36.08 Favored 'General case' 0 C--N 1.383 2.031 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -173.506 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.501 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 19.8 t0 -70.18 132.66 46.12 Favored 'General case' 0 C--N 1.398 2.699 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 174.506 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.501 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.263 36.6 mmtm 73.91 -67.65 0.25 Allowed 'General case' 0 C--N 1.391 2.372 0 C-N-CA 126.432 1.893 . . . . 0.0 106.853 -177.563 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.284 48.6 t 79.61 58.36 0.02 OUTLIER 'General case' 0 C--N 1.376 1.738 0 C-N-CA 126.874 2.07 . . . . 0.0 107.392 178.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.413 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 7.1 m120 65.65 66.25 0.52 Allowed 'General case' 0 C--N 1.392 2.431 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 162.649 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER . . . . . 0 CA--C 1.588 2.416 0 N-CA-C 103.717 -2.697 . . . . 0.0 103.717 -175.485 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.465 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 40.0 mtt85 . . . . . 0 N--CA 1.536 3.846 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -94.78 120.9 44.85 Favored 'Isoleucine or valine' 0 C--N 1.39 2.349 0 CA-C-O 122.451 1.12 . . . . 0.0 109.155 -172.396 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.7 m -141.31 143.36 34.01 Favored 'General case' 0 CA--C 1.595 2.702 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 176.156 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -93.12 150.22 20.67 Favored 'General case' 0 C--N 1.404 2.954 0 N-CA-C 116.351 1.982 . . . . 0.0 116.351 -160.331 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -118.55 20.87 12.84 Favored 'General case' 0 C--N 1.392 2.434 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 177.071 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.151 7.5 m170 -77.4 -153.83 0.06 Allowed 'General case' 0 C--N 1.382 1.995 0 C-N-CA 126.377 1.871 . . . . 0.0 110.721 -178.25 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.512 ' H ' ' HA ' ' A' ' 11' ' ' PRO 0.328 2.7 mp 67.81 -166.15 0.2 Allowed 'General case' 0 C--N 1.379 1.887 0 CA-C-O 122.091 0.948 . . . . 0.0 111.122 172.809 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.575 ' H ' HG12 ' A' ' 32' ' ' ILE . . . 89.37 -59.81 3.74 Favored Glycine 0 C--N 1.381 3.047 0 N-CA-C 105.549 -3.021 . . . . 0.0 105.549 -166.096 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 92.4 m -155.02 -38.03 0.09 Allowed 'General case' 0 C--N 1.381 1.965 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 170.652 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -100.68 110.19 59.82 Favored Pre-proline 0 CA--C 1.588 2.405 0 C-N-CA 124.425 1.09 . . . . 0.0 109.367 -172.626 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.512 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 61.2 Cg_endo -84.83 7.74 5.01 Favored 'Trans proline' 0 CA--C 1.595 3.552 0 N-CA-C 118.785 2.571 . . . . 0.0 118.785 179.726 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -78.74 -25.1 6.69 Favored 'Trans proline' 0 C--N 1.403 3.433 1 N-CA-C 124.681 4.839 . . . . 0.0 124.681 -175.409 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 59.7 p -97.0 139.03 33.63 Favored 'General case' 0 C--N 1.394 2.514 0 CA-C-N 124.893 3.497 . . . . 0.0 113.032 -175.424 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 72.4 p -125.33 146.33 49.62 Favored 'General case' 0 C--N 1.38 1.912 0 CA-C-N 113.612 -1.631 . . . . 0.0 109.837 -179.051 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -87.91 98.89 11.74 Favored 'General case' 0 C--N 1.386 2.177 0 N-CA-C 105.449 -2.056 . . . . 0.0 105.449 -176.689 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.6 m -78.6 101.95 7.7 Favored 'General case' 0 C--N 1.392 2.425 0 N-CA-C 101.657 -3.46 . . . . 0.0 101.657 172.739 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 12.2 t -127.02 150.02 49.63 Favored 'General case' 0 C--N 1.392 2.421 0 CA-C-O 123.887 1.803 . . . . 0.0 114.505 -166.056 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -89.34 -15.12 34.13 Favored 'General case' 0 C--N 1.38 1.928 0 CA-C-N 111.898 -2.41 . . . . 0.0 111.99 -179.547 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -70.31 114.78 8.78 Favored 'General case' 0 C--N 1.393 2.457 0 N-CA-C 103.757 -2.682 . . . . 0.0 103.757 175.034 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.465 ' OD2' ' N ' ' A' ' 1' ' ' ARG 2.188 50.0 m-20 -58.83 -6.37 0.76 Allowed 'General case' 0 C--N 1.386 2.176 0 C-N-CA 129.366 3.066 . . . . 0.0 116.251 -174.26 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.6 t -135.37 145.25 47.17 Favored 'General case' 0 C--N 1.378 1.807 0 N-CA-C 106.311 -1.737 . . . . 0.0 106.311 176.295 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.5 p -132.04 160.03 37.09 Favored 'General case' 0 C--N 1.382 2.018 0 CA-C-O 122.282 1.039 . . . . 0.0 111.755 176.633 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.435 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 25.4 p90 -124.89 140.4 52.96 Favored 'General case' 0 C--N 1.376 1.736 0 CA-C-N 114.183 -1.371 . . . . 0.0 112.01 -167.694 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.515 ' NZ ' ' O ' ' A' ' 58' ' ' ASN . 8.1 mtmt -103.13 112.63 25.58 Favored 'General case' 0 C--N 1.388 2.246 0 N-CA-C 104.6 -2.37 . . . . 0.0 104.6 -177.639 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.447 ' H ' ' HB3' ' A' ' 35' ' ' ARG . 7.0 t30 -114.31 114.69 26.27 Favored 'General case' 0 CA--C 1.576 1.96 0 N-CA-C 102.899 -3.0 . . . . 0.0 102.899 -175.881 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -122.32 -2.84 7.67 Favored 'Isoleucine or valine' 0 C--N 1.393 2.463 0 N-CA-C 116.01 1.856 . . . . 0.0 116.01 -154.685 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.509 ' CD1' ' N ' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -100.88 -94.59 0.28 Allowed 'General case' 0 CA--C 1.578 2.033 1 C-N-CA 133.812 4.845 . . . . 0.0 104.13 -176.461 . . . . . . . . 4 4 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.255 14.5 t 74.72 -17.61 0.47 Allowed 'General case' 0 C--N 1.39 2.337 0 C-N-CA 125.818 1.647 . . . . 0.0 112.127 178.006 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . 0.318 97.6 m-85 88.88 -37.32 0.02 OUTLIER 'General case' 0 C--N 1.39 2.345 0 C-N-CA 127.941 2.496 . . . . 0.0 110.846 -178.234 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -73.47 -7.1 50.35 Favored 'General case' 0 CA--C 1.58 2.13 0 CA-C-N 119.491 1.041 . . . . 0.0 110.993 172.443 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.8 t30 75.13 78.32 0.11 Allowed 'General case' 0 C--N 1.394 2.537 0 C-N-CA 127.747 2.419 . . . . 0.0 106.32 177.791 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.575 HG12 ' H ' ' A' ' 8' ' ' GLY . 6.8 tp -164.49 159.35 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.395 2.551 0 C-N-CA 117.658 -1.617 . . . . 0.0 114.037 -177.257 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 83.6 mt -94.13 90.63 2.87 Favored 'Isoleucine or valine' 0 C--N 1.387 2.206 0 N-CA-C 103.802 -2.666 . . . . 0.0 103.802 170.416 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.1 103.14 6.11 Favored 'General case' 0 C--N 1.387 2.219 0 N-CA-C 101.423 -3.547 . . . . 0.0 101.423 179.941 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.447 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -141.61 -167.34 2.4 Favored 'General case' 0 C--N 1.387 2.204 0 CA-C-N 114.225 -1.352 . . . . 0.0 114.483 -160.353 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -175.32 -167.13 34.03 Favored Glycine 0 C--N 1.389 3.494 0 C-N-CA 114.64 -3.648 . . . . 0.0 116.261 -174.466 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.5 p -102.07 127.92 48.76 Favored 'General case' 0 C--N 1.382 2.011 0 CA-C-O 122.795 1.283 . . . . 0.0 112.736 -175.054 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.05 -89.51 0.07 OUTLIER Glycine 0 C--N 1.394 3.796 0 N-CA-C 106.102 -2.799 . . . . 0.0 106.102 174.009 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.33 42.0 t 80.28 -44.61 0.26 Allowed 'General case' 0 C--N 1.388 2.254 0 C-N-CA 124.033 0.933 . . . . 0.0 111.402 179.877 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -89.19 61.18 5.66 Favored 'General case' 0 C--N 1.385 2.125 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -167.874 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.2 t -118.41 121.87 30.67 Favored Pre-proline 0 C--N 1.39 2.337 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -179.034 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -68.08 -178.15 1.61 Allowed 'Trans proline' 0 C--N 1.399 3.224 0 C-N-CA 121.053 1.168 . . . . 0.0 113.436 169.362 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.4 ttp85 80.24 115.08 0.06 Allowed 'General case' 0 C--N 1.391 2.4 0 C-N-CA 125.654 1.582 . . . . 0.0 107.989 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -116.02 47.24 1.06 Allowed Glycine 0 C--N 1.396 3.907 0 CA-C-O 118.081 -1.399 . . . . 0.0 113.65 -178.397 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 57.6 p30 -102.89 24.57 10.49 Favored 'General case' 0 C--N 1.383 2.042 0 CA-C-N 119.167 1.484 . . . . 0.0 113.493 178.899 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.8 ptp 148.21 139.65 0.0 OUTLIER Pre-proline 0 CA--C 1.579 2.072 0 C-N-CA 131.568 3.947 . . . . 0.0 104.22 -173.192 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_exo -70.46 167.66 24.72 Favored 'Trans proline' 0 C--N 1.393 2.872 0 N-CA-C 114.933 1.09 . . . . 0.0 114.933 -176.122 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -98.24 82.62 0.64 Allowed Glycine 0 C--N 1.385 3.27 0 N-CA-C 103.761 -3.735 . . . . 0.0 103.761 177.353 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.435 ' HB2' ' HB2' ' A' ' 23' ' ' TYR 0.33 2.6 Cg_exo 43.75 -159.27 0.0 OUTLIER 'Trans proline' 1 C--N 1.443 5.524 0 O-C-N 123.973 1.512 . . . . 0.0 110.825 -165.93 . . . . . . . . 4 3 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -125.25 140.09 53.15 Favored 'General case' 0 CA--C 1.569 1.692 0 N-CA-C 106.335 -1.728 . . . . 0.0 106.335 175.481 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.2 m -118.78 159.53 23.53 Favored 'General case' 0 C--N 1.395 2.555 0 N-CA-C 117.988 2.588 . . . . 0.0 117.988 -159.356 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.7 t -136.71 159.24 42.42 Favored 'General case' 0 C--N 1.38 1.912 0 CA-C-N 112.491 -2.141 . . . . 0.0 111.042 -179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -122.88 59.86 1.05 Allowed 'General case' 0 C--N 1.382 2.017 0 N-CA-C 105.704 -1.961 . . . . 0.0 105.704 171.813 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.6 m -162.11 170.08 19.78 Favored 'General case' 0 C--N 1.39 2.338 0 CA-C-O 122.016 0.912 . . . . 0.0 112.396 -175.459 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.488 ' OD1' ' NZ ' ' A' ' 56' ' ' LYS . 24.5 t0 -80.02 126.94 31.69 Favored 'General case' 0 C--N 1.385 2.122 0 CA-C-N 114.477 -1.238 . . . . 0.0 108.199 -177.544 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.488 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 35.8 mmtm 76.66 -67.98 0.2 Allowed 'General case' 0 C--N 1.391 2.411 0 C-N-CA 125.852 1.661 . . . . 0.0 109.809 176.007 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 80.9 m 73.67 54.67 0.11 Allowed 'General case' 0 C--N 1.383 2.048 0 C-N-CA 126.056 1.742 . . . . 0.0 109.123 179.102 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.515 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 23.9 t-20 63.68 71.14 0.5 Allowed 'General case' 0 C--N 1.389 2.293 0 N-CA-C 106.278 -1.749 . . . . 0.0 106.278 175.731 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.0 tp . . . . . 0 CA--C 1.584 2.262 0 N-CA-C 104.761 -2.311 . . . . 0.0 104.761 -177.669 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.412 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.2 OUTLIER . . . . . 1 N--CA 1.546 4.348 0 N-CA-C 111.478 0.177 . . . . 0.0 111.478 . . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.1 mt -75.19 127.54 36.8 Favored 'Isoleucine or valine' 0 C--N 1.403 2.904 0 CA-C-O 122.536 1.16 . . . . 0.0 109.101 -174.026 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.3 m -136.66 174.16 10.92 Favored 'General case' 0 C--N 1.387 2.214 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.823 169.127 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -106.22 159.08 16.38 Favored 'General case' 0 C--N 1.38 1.895 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -175.881 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -153.89 57.53 0.73 Allowed 'General case' 0 C--N 1.387 2.227 0 N-CA-C 106.562 -1.644 . . . . 0.0 106.562 176.188 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.211 20.9 m170 -98.31 -168.14 1.61 Allowed 'General case' 0 C--N 1.388 2.259 0 C-N-CA 125.849 1.66 . . . . 0.0 114.317 -179.362 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 28.9 mt 64.7 -172.42 0.18 Allowed 'General case' 0 C--N 1.383 2.063 0 C-N-CA 125.078 1.351 . . . . 0.0 114.579 176.888 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 64.9 46.29 89.89 Favored Glycine 0 C--N 1.386 3.354 0 CA-C-O 116.897 -2.057 . . . . 0.0 111.629 -179.682 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 45.9 m 109.75 -37.7 0.01 OUTLIER 'General case' 0 C--N 1.394 2.527 0 C-N-CA 129.963 3.305 . . . . 0.0 110.896 176.634 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.37 128.27 24.06 Favored Pre-proline 0 CA--C 1.588 2.432 0 C-N-CA 124.936 1.294 . . . . 0.0 109.897 -174.379 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -99.08 -3.63 0.79 Allowed 'Trans proline' 0 C--N 1.413 3.944 0 N-CA-C 122.021 3.816 . . . . 0.0 122.021 176.769 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -80.25 -14.92 11.71 Favored 'Trans proline' 0 C--N 1.396 3.071 1 N-CA-C 125.634 5.205 . . . . 0.0 125.634 -172.491 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.1 p -90.68 126.19 35.9 Favored 'General case' 0 C--N 1.386 2.158 0 CA-C-N 123.698 2.954 . . . . 0.0 114.668 -173.694 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 65.8 p -134.19 144.34 48.42 Favored 'General case' 0 C--N 1.375 1.704 0 C-N-CA 131.31 3.844 . . . . 0.0 104.53 171.008 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -158.69 135.89 9.91 Favored 'General case' 0 C--N 1.387 2.226 0 C-N-CA 115.28 -2.568 . . . . 0.0 114.307 -168.953 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 27.7 m -67.27 112.46 4.54 Favored 'General case' 0 C--N 1.395 2.551 0 N-CA-C 104.102 -2.555 . . . . 0.0 104.102 172.408 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.5 t -115.57 143.24 45.62 Favored 'General case' 0 C--N 1.392 2.422 0 CA-C-O 123.022 1.392 . . . . 0.0 109.762 -172.557 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -80.72 -28.3 36.65 Favored 'General case' 0 C--N 1.386 2.19 0 CA-C-N 114.379 -1.282 . . . . 0.0 112.725 -173.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -58.57 136.78 57.68 Favored 'General case' 0 C--N 1.394 2.527 0 CA-C-N 121.1 1.773 . . . . 0.0 106.957 175.927 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.18 65.5 m-20 -72.7 8.41 1.49 Allowed 'General case' 0 C--N 1.385 2.151 0 C-N-CA 129.015 2.926 . . . . 0.0 115.362 -176.834 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.3 m -161.7 151.24 16.39 Favored 'General case' 0 C--N 1.376 1.738 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 -178.316 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.4 p -149.21 153.1 37.12 Favored 'General case' 0 C--N 1.385 2.11 0 C-N-CA 117.192 -1.803 . . . . 0.0 112.894 -179.456 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -122.11 157.25 31.88 Favored 'General case' 0 C--N 1.38 1.902 0 CA-C-N 112.483 -2.144 . . . . 0.0 114.288 -162.511 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.552 ' HZ2' ' C ' ' A' ' 59' ' ' LEU . 56.3 mmtt -106.21 111.23 23.74 Favored 'General case' 0 C--N 1.38 1.903 0 N-CA-C 105.502 -2.036 . . . . 0.0 105.502 -171.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.49 ' HA ' ' HE1' ' A' ' 27' ' ' TRP . 0.2 OUTLIER -114.44 101.82 9.5 Favored 'General case' 0 C--N 1.379 1.848 1 N-CA-C 99.942 -4.096 . . . . 0.0 99.942 -175.772 . . . . . . . . 4 4 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -126.79 45.72 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.386 2.173 0 CA-C-O 123.698 1.713 . . . . 0.0 109.922 -165.269 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.49 ' HE1' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -173.22 -93.21 0.01 OUTLIER 'General case' 0 CA--C 1.585 2.29 0 CA-C-N 112.579 -2.101 . . . . 0.0 105.618 -164.399 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.3 12.1 t 83.26 -103.87 0.01 OUTLIER 'General case' 0 CA--C 1.592 2.564 0 N-CA-C 106.162 -1.792 . . . . 0.0 106.162 175.334 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -146.25 -24.31 0.44 Allowed 'General case' 0 C--N 1.387 2.238 0 O-C-N 121.076 -1.015 . . . . 0.0 108.424 173.761 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -87.34 -10.52 51.98 Favored 'General case' 0 C--N 1.382 2.011 0 C-N-CA 129.137 2.975 . . . . 0.0 113.227 177.335 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 74.29 64.39 0.08 Allowed 'General case' 0 C--N 1.391 2.375 0 N-CA-C 105.575 -2.009 . . . . 0.0 105.575 -179.846 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 tp -149.54 161.18 4.84 Favored 'Isoleucine or valine' 0 C--N 1.393 2.498 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -170.873 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -96.35 110.35 24.49 Favored 'Isoleucine or valine' 0 C--N 1.391 2.376 0 N-CA-C 104.75 -2.315 . . . . 0.0 104.75 175.058 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.51 90.01 0.92 Allowed 'General case' 0 C--N 1.389 2.288 0 N-CA-C 102.999 -2.963 . . . . 0.0 102.999 -175.407 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.408 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -122.31 -171.55 2.28 Favored 'General case' 0 C--N 1.376 1.758 0 CA-C-N 111.866 -2.424 . . . . 0.0 115.061 -159.983 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -174.5 -179.26 44.99 Favored Glycine 0 C--N 1.398 3.993 1 C-N-CA 112.824 -4.512 . . . . 0.0 120.099 -170.544 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.3 m -81.6 115.29 20.81 Favored 'General case' 0 C--N 1.386 2.18 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 -178.734 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -162.69 -97.51 0.12 Allowed Glycine 0 C--N 1.39 3.543 0 N-CA-C 105.113 -3.195 . . . . 0.0 105.113 178.573 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.359 9.7 t 84.27 -40.97 0.07 Allowed 'General case' 0 C--N 1.386 2.173 0 CA-C-O 121.586 0.708 . . . . 0.0 112.156 177.66 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -96.98 76.18 2.69 Favored 'General case' 0 CA--C 1.584 2.263 0 N-CA-C 105.648 -1.982 . . . . 0.0 105.648 -170.513 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.1 p -89.71 125.26 61.69 Favored Pre-proline 0 C--N 1.398 2.69 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 178.741 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -87.6 170.7 6.44 Favored 'Trans proline' 0 C--N 1.398 3.17 0 C-N-CA 120.975 1.116 . . . . 0.0 114.665 -174.661 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.46 87.41 7.39 Favored 'General case' 0 C--N 1.392 2.434 0 N-CA-C 105.559 -2.015 . . . . 0.0 105.559 -179.735 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -136.16 21.39 3.49 Favored Glycine 0 C--N 1.387 3.393 0 CA-C-N 114.511 -1.222 . . . . 0.0 110.973 172.204 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 67.0 m-20 65.83 40.21 4.34 Favored 'General case' 0 C--N 1.388 2.245 0 C-N-CA 125.895 1.678 . . . . 0.0 110.388 179.227 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 74.8 mtm -117.34 105.37 48.7 Favored Pre-proline 0 C--N 1.384 2.09 0 N-CA-C 106.67 -1.604 . . . . 0.0 106.67 -175.858 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -64.78 123.34 11.51 Favored 'Trans proline' 0 C--N 1.397 3.087 0 N-CA-C 108.406 -1.421 . . . . 0.0 108.406 177.964 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -109.73 167.56 12.85 Favored Glycine 0 C--N 1.391 3.586 0 O-C-N 120.809 -1.182 . . . . 0.0 114.281 179.111 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -50.52 159.6 2.06 Favored 'Trans proline' 0 C--N 1.387 2.604 0 C-N-CA 122.936 2.424 . . . . 0.0 113.882 168.559 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.402 ' CE1' ' HG3' ' A' ' 24' ' ' LYS . 23.0 p90 -87.78 151.05 23.18 Favored 'General case' 0 C--N 1.382 1.981 0 CA-C-N 114.582 -1.19 . . . . 0.0 109.319 178.157 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 19.5 p -155.83 168.09 28.32 Favored 'General case' 0 C--N 1.403 2.917 0 N-CA-C 120.28 3.437 . . . . 0.0 120.28 -165.672 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 16.1 t -141.59 -174.89 4.18 Favored 'General case' 0 C--N 1.385 2.125 0 CA-C-N 112.075 -2.329 . . . . 0.0 113.29 -173.19 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -144.68 27.98 1.32 Allowed 'General case' 0 C--N 1.387 2.23 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -178.469 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.3 t -109.88 174.67 5.76 Favored 'General case' 0 C--N 1.378 1.84 0 C-N-CA 123.882 0.873 . . . . 0.0 112.382 -179.162 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.478 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 27.0 t70 -66.87 115.14 6.3 Favored 'General case' 0 C--N 1.391 2.409 0 N-CA-C 104.992 -2.225 . . . . 0.0 104.992 174.659 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.478 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 36.4 mmtm 72.14 -59.64 0.55 Allowed 'General case' 0 C--N 1.392 2.431 0 C-N-CA 127.176 2.19 . . . . 0.0 110.474 -178.523 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 23.8 t 70.18 50.35 0.43 Allowed 'General case' 0 C--N 1.382 1.98 0 C-N-CA 128.528 2.731 . . . . 0.0 107.125 -177.089 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 20.3 t30 62.47 87.25 0.1 Allowed 'General case' 0 C--N 1.389 2.292 0 C-N-CA 126.52 1.928 . . . . 0.0 106.243 -177.597 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.552 ' C ' ' HZ2' ' A' ' 24' ' ' LYS . 2.2 tt . . . . . 0 CA--C 1.589 2.46 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 176.154 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 3.2 tpp85 . . . . . 0 N--CA 1.539 3.976 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.471 HG12 ' HA ' ' A' ' 16' ' ' THR . 30.4 mt -97.34 121.32 47.74 Favored 'Isoleucine or valine' 0 C--N 1.394 2.519 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 -175.127 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.5 m -137.05 151.02 48.45 Favored 'General case' 0 C--N 1.388 2.275 0 CA-C-O 122.819 1.295 . . . . 0.0 108.611 171.749 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -67.35 152.95 44.8 Favored 'General case' 0 C--N 1.382 2.007 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.999 -171.775 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -130.26 32.92 4.4 Favored 'General case' 0 C--N 1.387 2.223 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 169.934 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.194 21.3 m170 -77.83 -178.0 5.2 Favored 'General case' 0 C--N 1.389 2.321 0 C-N-CA 127.196 2.199 . . . . 0.0 115.086 -170.934 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.52 ' H ' ' HA ' ' A' ' 11' ' ' PRO . 30.7 mt 72.11 -170.11 0.14 Allowed 'General case' 0 C--N 1.382 1.992 0 C-N-CA 126.069 1.747 . . . . 0.0 114.084 173.462 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.96 53.13 47.68 Favored Glycine 0 C--N 1.382 3.136 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 -179.039 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.1 m 107.21 -36.65 0.01 OUTLIER 'General case' 0 C--N 1.392 2.438 0 C-N-CA 130.482 3.513 . . . . 0.0 110.188 176.988 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.6 mmtt -130.93 107.43 15.23 Favored Pre-proline 0 C--N 1.385 2.13 0 CA-C-N 118.368 0.531 . . . . 0.0 109.648 -173.86 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.52 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 88.8 Cg_exo -82.11 2.56 8.45 Favored 'Trans proline' 0 CA--C 1.594 3.49 1 N-CA-C 124.205 4.656 . . . . 0.0 124.205 179.85 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -101.29 -23.58 0.05 OUTLIER 'Trans proline' 0 C--N 1.399 3.219 1 N-CA-C 123.321 4.316 . . . . 0.0 123.321 -172.46 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.3 p -78.93 156.38 28.59 Favored 'General case' 0 C--N 1.393 2.477 0 CA-C-N 123.167 2.712 . . . . 0.0 115.825 -172.624 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.3 p -138.02 149.59 46.2 Favored 'General case' 0 C--N 1.378 1.811 0 CA-C-N 112.271 -2.24 . . . . 0.0 108.821 -179.825 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -111.2 111.31 22.3 Favored 'General case' 0 C--N 1.384 2.106 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -171.875 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.471 ' HA ' HG12 ' A' ' 2' ' ' ILE . 98.6 m -81.95 98.98 8.83 Favored 'General case' 0 C--N 1.391 2.404 0 N-CA-C 102.867 -3.012 . . . . 0.0 102.867 172.21 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.3 t -118.55 159.88 22.77 Favored 'General case' 0 C--N 1.387 2.218 0 CA-C-O 123.682 1.706 . . . . 0.0 112.55 -171.503 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -80.08 1.57 27.36 Favored 'General case' 0 C--N 1.377 1.802 0 CA-C-N 112.653 -2.067 . . . . 0.0 112.249 -174.346 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -89.96 126.45 35.74 Favored 'General case' 0 C--N 1.388 2.275 0 CA-C-N 120.689 1.586 . . . . 0.0 107.781 -177.522 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.088 6.5 m-20 -53.03 -14.99 0.68 Allowed 'General case' 0 CA--C 1.587 2.372 0 C-N-CA 129.943 3.297 . . . . 0.0 113.955 179.596 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 95.0 p -156.06 163.93 39.06 Favored 'General case' 0 C--N 1.381 1.935 0 C-N-CA 125.253 1.421 . . . . 0.0 108.714 -177.702 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 9.9 p -140.06 172.2 13.1 Favored 'General case' 0 C--N 1.387 2.202 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 -177.843 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.431 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 20.9 p90 -128.69 152.08 48.8 Favored 'General case' 0 C--N 1.381 1.966 0 CA-C-O 124.697 2.189 . . . . 0.0 114.235 -171.909 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.551 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 47.8 mmtt -107.49 112.16 24.79 Favored 'General case' 0 C--N 1.38 1.896 0 CA-C-N 110.832 -2.895 . . . . 0.0 104.38 -179.18 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.543 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 2.3 t30 -114.13 121.38 43.61 Favored 'General case' 0 CA--C 1.579 2.069 0 N-CA-C 102.586 -3.116 . . . . 0.0 102.586 -178.412 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -128.08 -3.72 3.81 Favored 'Isoleucine or valine' 0 C--N 1.401 2.822 0 N-CA-C 117.003 2.223 . . . . 0.0 117.003 -151.194 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.543 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -100.12 -102.07 0.24 Allowed 'General case' 0 CA--C 1.582 2.176 1 C-N-CA 132.729 4.412 . . . . 0.0 106.18 -173.765 . . . . . . . . 4 4 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.314 14.9 t 88.14 -51.46 0.04 OUTLIER 'General case' 0 C--N 1.392 2.434 0 C-N-CA 126.881 2.072 . . . . 0.0 110.843 177.594 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 55.8 t80 126.82 -60.56 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.398 0 C-N-CA 127.939 2.495 . . . . 0.0 104.296 -179.349 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -53.95 112.14 0.89 Allowed 'General case' 0 C--N 1.396 2.604 0 N-CA-C 101.468 -3.53 . . . . 0.0 101.468 153.189 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -73.16 107.06 5.29 Favored 'General case' 0 C--N 1.4 2.798 0 N-CA-C 105.6 -2.0 . . . . 0.0 105.6 -169.643 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 tp -164.98 162.74 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.399 2.752 0 C-N-CA 118.01 -1.476 . . . . 0.0 113.402 -168.388 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 26.1 mm -99.9 100.67 10.88 Favored 'Isoleucine or valine' 0 C--N 1.388 2.26 0 N-CA-C 106.121 -1.807 . . . . 0.0 106.121 178.208 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.01 123.75 21.17 Favored 'General case' 0 C--N 1.383 2.048 0 N-CA-C 103.187 -2.894 . . . . 0.0 103.187 -179.681 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.519 HH11 ' HG2' ' A' ' 35' ' ' ARG . 3.8 ptt-85 -166.01 -168.13 1.2 Allowed 'General case' 0 C--N 1.391 2.379 0 C-N-CA 118.06 -1.456 . . . . 0.0 112.312 -151.54 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 175.19 -169.32 42.16 Favored Glycine 0 C--N 1.393 3.717 0 C-N-CA 113.987 -3.959 . . . . 0.0 117.557 -175.29 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.1 p -80.21 124.69 29.02 Favored 'General case' 0 C--N 1.385 2.12 0 CA-C-N 113.899 -1.15 . . . . 0.0 111.465 -175.943 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.58 -91.81 0.08 OUTLIER Glycine 0 C--N 1.398 3.99 0 C-N-CA 117.302 -2.38 . . . . 0.0 107.822 175.942 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.318 35.9 t 83.6 -59.28 0.13 Allowed 'General case' 0 C--N 1.384 2.1 0 CA-C-O 122.259 1.028 . . . . 0.0 109.089 -175.917 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.35 74.35 8.66 Favored 'General case' 0 C--N 1.383 2.047 0 N-CA-C 104.721 -2.325 . . . . 0.0 104.721 -172.678 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.9 t -90.57 142.75 28.28 Favored Pre-proline 0 C--N 1.388 2.258 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -61.43 172.99 2.94 Favored 'Trans proline' 0 C--N 1.396 3.051 0 C-N-CA 120.924 1.083 . . . . 0.0 114.18 173.471 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -85.19 103.81 14.5 Favored 'General case' 0 C--N 1.383 2.05 0 CA-C-N 114.258 -1.337 . . . . 0.0 108.716 -177.571 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -108.75 163.34 12.69 Favored Glycine 0 C--N 1.39 3.536 0 O-C-N 121.363 -0.835 . . . . 0.0 113.28 175.735 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -98.76 44.2 1.04 Allowed 'General case' 0 C--N 1.381 1.974 0 CA-C-O 123.52 1.628 . . . . 0.0 107.351 177.571 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 44.0 ttp -163.69 122.22 1.27 Allowed Pre-proline 0 C--N 1.378 1.828 0 N-CA-C 103.141 -2.911 . . . . 0.0 103.141 177.007 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_exo -50.7 136.69 42.27 Favored 'Trans proline' 0 C--N 1.393 2.914 0 C-N-CA 121.778 1.652 . . . . 0.0 112.807 -177.832 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -78.76 171.65 55.14 Favored Glycine 0 C--N 1.389 3.488 0 C-N-CA 119.093 -1.527 . . . . 0.0 110.487 175.845 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.431 ' HB2' ' HB2' ' A' ' 23' ' ' TYR . 0.3 OUTLIER -57.99 158.32 21.72 Favored 'Trans proline' 0 C--N 1.382 2.309 0 CA-C-O 122.651 1.021 . . . . 0.0 113.974 176.154 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . 0.255 0.5 OUTLIER -82.92 144.68 29.87 Favored 'General case' 0 C--N 1.385 2.141 0 CA-C-N 114.059 -1.428 . . . . 0.0 110.159 -178.312 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.429 ' SG ' ' N ' ' A' ' 52' ' ' CYS . 36.1 t -118.97 155.99 30.37 Favored 'General case' 0 C--N 1.395 2.581 0 N-CA-C 118.864 2.912 . . . . 0.0 118.864 -164.499 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.429 ' N ' ' SG ' ' A' ' 51' ' ' CYS . 5.2 t -142.06 160.46 40.18 Favored 'General case' 0 C--N 1.388 2.266 0 C-N-CA 127.904 2.482 . . . . 0.0 111.115 177.162 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -125.1 62.75 1.16 Allowed 'General case' 0 C--N 1.391 2.395 0 CA-C-N 119.371 0.987 . . . . 0.0 109.074 -179.659 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.17 167.73 28.32 Favored 'General case' 0 C--N 1.385 2.152 0 C-N-CA 118.413 -1.315 . . . . 0.0 111.5 177.935 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.495 ' OD1' ' NZ ' ' A' ' 56' ' ' LYS . 39.6 t0 -68.04 118.85 11.76 Favored 'General case' 0 C--N 1.385 2.137 0 N-CA-C 104.811 -2.292 . . . . 0.0 104.811 174.605 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.495 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 0.0 OUTLIER 71.59 -54.8 0.67 Allowed 'General case' 0 C--N 1.398 2.705 0 C-N-CA 127.336 2.254 . . . . 0.0 113.956 -177.772 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 92.5 m 56.43 59.37 3.66 Favored 'General case' 0 CA--C 1.581 2.137 0 N-CA-C 104.552 -2.388 . . . . 0.0 104.552 -163.213 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 74.7 -64.78 0.37 Allowed 'General case' 0 C--N 1.39 2.358 0 C-N-CA 131.267 3.827 . . . . 0.0 112.326 174.583 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.551 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 25.7 tp . . . . . 0 CA--C 1.58 2.118 0 N-CA-C 101.998 -3.334 . . . . 0.0 101.998 -171.095 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.0 tpp85 . . . . . 0 N--CA 1.535 3.802 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.6 mp -102.49 128.71 54.97 Favored 'Isoleucine or valine' 0 C--N 1.39 2.328 0 CA-C-O 123.183 1.468 . . . . 0.0 109.77 -174.948 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.0 p -152.44 153.47 33.6 Favored 'General case' 0 C--N 1.383 2.028 0 CA-C-N 114.826 -1.079 . . . . 0.0 108.948 175.63 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -77.62 176.09 9.28 Favored 'General case' 0 C--N 1.39 2.359 0 N-CA-C 115.374 1.62 . . . . 0.0 115.374 -165.141 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -152.99 52.17 0.75 Allowed 'General case' 0 C--N 1.386 2.182 0 N-CA-C 103.097 -2.927 . . . . 0.0 103.097 168.738 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.191 8.4 m170 -104.05 -147.59 0.39 Allowed 'General case' 0 C--N 1.389 2.285 0 C-N-CA 126.656 1.982 . . . . 0.0 110.489 -175.327 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.358 5.6 mp 62.73 -170.8 0.17 Allowed 'General case' 0 C--N 1.387 2.212 0 CA-C-O 123.008 1.385 . . . . 0.0 112.762 173.45 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.3 -80.62 1.81 Allowed Glycine 0 C--N 1.383 3.184 0 N-CA-C 105.11 -3.196 . . . . 0.0 105.11 -167.738 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 87.0 m -140.98 -32.95 0.54 Allowed 'General case' 0 C--N 1.378 1.842 0 CA-C-N 114.24 -0.98 . . . . 0.0 111.108 -179.569 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -107.77 115.81 58.38 Favored Pre-proline 0 CA--C 1.58 2.107 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 -175.273 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -87.51 -16.58 3.06 Favored 'Trans proline' 0 C--N 1.404 3.466 0 N-CA-C 122.0 3.808 . . . . 0.0 122.0 -175.927 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -77.24 -21.01 12.25 Favored 'Trans proline' 0 C--N 1.395 2.994 1 N-CA-C 125.83 5.281 . . . . 0.0 125.83 -171.839 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.5 p -77.84 141.09 39.37 Favored 'General case' 0 C--N 1.394 2.53 0 CA-C-N 125.054 3.57 . . . . 0.0 113.209 -174.338 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 39.3 p -129.68 144.49 51.31 Favored 'General case' 0 C--N 1.381 1.959 0 CA-C-N 112.947 -1.933 . . . . 0.0 109.216 -176.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -109.74 106.01 15.48 Favored 'General case' 0 C--N 1.381 1.961 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 -174.736 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 67.7 m -87.57 107.29 18.52 Favored 'General case' 0 C--N 1.386 2.17 0 N-CA-C 102.777 -3.045 . . . . 0.0 102.777 177.512 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -119.26 145.82 45.76 Favored 'General case' 0 C--N 1.393 2.489 0 CA-C-O 122.987 1.375 . . . . 0.0 113.123 -168.714 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 12.2 mp0 -89.29 52.41 2.37 Favored 'General case' 0 C--N 1.386 2.155 0 CA-C-N 113.42 -1.718 . . . . 0.0 106.5 177.519 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -149.58 129.09 13.05 Favored 'General case' 0 C--N 1.379 1.872 0 N-CA-C 105.192 -2.151 . . . . 0.0 105.192 -179.854 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.129 45.8 m-20 -41.64 -47.94 4.0 Favored 'General case' 0 C--N 1.381 1.942 0 C-N-CA 126.679 1.992 . . . . 0.0 110.739 -179.132 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.5 m -124.78 164.97 18.85 Favored 'General case' 0 C--N 1.389 2.291 0 CA-C-O 124.89 2.281 . . . . 0.0 115.652 -169.009 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 14.4 p -148.53 166.95 26.68 Favored 'General case' 0 C--N 1.378 1.835 0 CA-C-N 111.35 -2.659 . . . . 0.0 113.317 174.431 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 20.3 p90 -113.69 146.93 39.08 Favored 'General case' 0 C--N 1.379 1.876 0 CA-C-N 114.391 -1.277 . . . . 0.0 111.267 -171.95 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.549 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 59.3 mttt -120.67 110.91 16.97 Favored 'General case' 0 C--N 1.388 2.251 0 N-CA-C 104.841 -2.281 . . . . 0.0 104.841 179.069 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.635 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 2.2 t30 -113.83 129.25 56.61 Favored 'General case' 0 CA--C 1.581 2.141 0 C-N-CA 126.4 1.88 . . . . 0.0 106.736 -164.095 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -123.39 -23.99 2.39 Favored 'Isoleucine or valine' 0 C--N 1.401 2.805 0 N-CA-C 117.192 2.293 . . . . 0.0 117.192 -155.641 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.635 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -65.37 -99.26 0.0 OUTLIER 'General case' 0 CA--C 1.589 2.455 1 C-N-CA 131.918 4.087 . . . . 0.0 106.334 175.681 . . . . . . . . 4 4 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.255 9.7 t 74.97 -11.12 1.11 Allowed 'General case' 0 C--N 1.39 2.343 0 CA-C-O 116.842 -1.551 . . . . 0.0 113.886 174.825 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . 0.313 91.4 t80 86.62 -37.88 0.04 OUTLIER 'General case' 0 C--N 1.393 2.468 0 CA-C-N 122.698 2.499 . . . . 0.0 108.96 -173.192 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -86.25 -6.46 58.97 Favored 'General case' 0 CA--C 1.578 2.049 0 CA-C-O 116.784 -1.579 . . . . 0.0 112.988 177.501 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.8 t30 64.55 73.3 0.43 Allowed 'General case' 0 C--N 1.396 2.623 0 CA-C-N 122.943 2.61 . . . . 0.0 105.187 177.271 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 tp -159.0 157.42 3.23 Favored 'Isoleucine or valine' 0 C--N 1.392 2.433 0 C-N-CA 119.388 -0.925 . . . . 0.0 112.224 -174.947 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 5.6 mm -96.42 94.36 4.08 Favored 'Isoleucine or valine' 0 C--N 1.39 2.328 0 N-CA-C 106.067 -1.827 . . . . 0.0 106.067 177.898 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.73 128.17 21.27 Favored 'General case' 0 C--N 1.382 1.985 0 N-CA-C 104.155 -2.535 . . . . 0.0 104.155 179.851 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.451 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -169.47 -165.97 0.56 Allowed 'General case' 0 C--N 1.399 2.758 0 C-N-CA 117.635 -1.626 . . . . 0.0 113.067 -148.458 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -179.77 -178.54 48.52 Favored Glycine 0 C--N 1.393 3.742 1 C-N-CA 113.596 -4.145 . . . . 0.0 119.209 -170.28 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 47.3 t -66.73 121.5 15.57 Favored 'General case' 0 C--N 1.391 2.371 0 CA-C-N 114.157 -1.021 . . . . 0.0 108.908 -176.916 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.45 -108.96 0.21 Allowed Glycine 1 C--N 1.402 4.225 0 C-N-CA 116.212 -2.899 . . . . 0.0 107.962 179.187 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.394 41.9 t 81.57 -163.35 0.02 OUTLIER 'General case' 0 C--N 1.387 2.237 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 176.932 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 57.46 55.47 5.69 Favored 'General case' 0 C--N 1.385 2.112 0 CA-C-N 114.795 -1.093 . . . . 0.0 108.414 173.562 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 t -119.73 81.74 25.86 Favored Pre-proline 0 C--N 1.393 2.495 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 178.243 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_endo -99.86 92.63 0.05 OUTLIER 'Trans proline' 0 C--N 1.401 3.308 0 N-CA-C 103.94 -3.138 . . . . 0.0 103.94 178.075 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.1 ttp85 89.7 87.34 0.01 OUTLIER 'General case' 0 C--N 1.391 2.398 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 -179.325 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -99.69 158.34 19.76 Favored Glycine 0 C--N 1.392 3.689 0 N-CA-C 115.632 1.013 . . . . 0.0 115.632 -178.623 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -123.52 30.04 6.39 Favored 'General case' 0 CA--C 1.581 2.163 0 CA-C-O 122.416 1.103 . . . . 0.0 110.833 178.048 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.9 ptt? -154.71 161.83 28.49 Favored Pre-proline 0 C--N 1.376 1.743 0 C-N-CA 126.991 2.116 . . . . 0.0 108.292 -179.275 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -59.74 118.57 5.47 Favored 'Trans proline' 0 C--N 1.394 2.961 0 N-CA-C 106.587 -2.12 . . . . 0.0 106.587 178.781 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -111.37 115.64 3.98 Favored Glycine 0 C--N 1.395 3.858 0 N-CA-C 109.408 -1.477 . . . . 0.0 109.408 -178.324 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . 0.255 19.1 Cg_exo -58.93 -178.83 0.13 Allowed 'Trans proline' 0 C--N 1.384 2.415 1 C-N-CA 127.332 5.354 . . . . 0.0 115.565 172.991 . . . . . . . . 3 2 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 35.9 p90 -89.98 141.55 28.55 Favored 'General case' 0 C--N 1.388 2.26 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 173.452 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 34.0 m -115.76 147.49 40.88 Favored 'General case' 0 C--N 1.391 2.412 0 CA-C-O 123.503 1.621 . . . . 0.0 113.46 -172.799 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 23.0 t -110.03 146.14 35.83 Favored 'General case' 0 C--N 1.382 2.015 0 CA-C-N 113.068 -1.878 . . . . 0.0 107.94 169.683 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -130.73 26.3 5.01 Favored 'General case' 0 C--N 1.378 1.836 0 CA-C-O 122.669 1.223 . . . . 0.0 110.148 172.527 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 80.4 p -127.27 171.33 11.57 Favored 'General case' 0 C--N 1.379 1.865 0 C-N-CA 127.322 2.249 . . . . 0.0 109.718 177.642 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.473 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 30.8 t0 -72.99 129.77 38.84 Favored 'General case' 0 C--N 1.385 2.122 0 C-N-CA 117.621 -1.631 . . . . 0.0 108.278 178.182 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.473 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 40.3 mmtm 76.3 -69.21 0.17 Allowed 'General case' 0 C--N 1.391 2.408 0 C-N-CA 127.006 2.122 . . . . 0.0 113.849 172.3 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.254 58.8 m 61.18 63.84 1.18 Allowed 'General case' 0 CA--C 1.582 2.202 0 N-CA-C 105.155 -2.165 . . . . 0.0 105.155 -166.926 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . 0.259 87.1 m-20 69.92 -57.88 0.54 Allowed 'General case' 0 C--N 1.39 2.331 0 C-N-CA 130.851 3.66 . . . . 0.0 112.334 175.882 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.549 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 2.5 mt . . . . . 0 CA--C 1.591 2.554 0 N-CA-C 104.813 -2.292 . . . . 0.0 104.813 -178.517 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.447 HH21 ' CG ' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.537 3.906 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 12.0 mt -75.5 125.61 35.31 Favored 'Isoleucine or valine' 0 C--N 1.395 2.556 0 N-CA-C 106.946 -1.501 . . . . 0.0 106.946 176.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.1 m -136.79 178.51 7.02 Favored 'General case' 0 C--N 1.383 2.052 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.883 169.491 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.426 ' CD2' HG22 ' A' ' 14' ' ' THR . 19.8 m-85 -112.16 172.01 7.16 Favored 'General case' 0 C--N 1.38 1.896 0 N-CA-C 115.386 1.624 . . . . 0.0 115.386 -165.712 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 48.9 p30 -156.43 34.39 0.32 Allowed 'General case' 0 C--N 1.39 2.356 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 169.095 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.174 14.9 m170 -75.08 -168.74 0.8 Allowed 'General case' 0 C--N 1.387 2.207 0 C-N-CA 125.514 1.526 . . . . 0.0 113.436 -176.991 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.311 20.5 mt 69.82 -168.4 0.17 Allowed 'General case' 0 C--N 1.385 2.114 0 CA-C-O 121.827 0.823 . . . . 0.0 112.689 174.348 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.484 ' H ' HG12 ' A' ' 32' ' ' ILE . . . 90.84 -66.2 2.56 Favored Glycine 0 C--N 1.383 3.182 0 N-CA-C 105.682 -2.967 . . . . 0.0 105.682 -166.712 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.9 m -151.07 -41.24 0.12 Allowed 'General case' 0 C--N 1.378 1.847 0 CA-C-N 113.198 -1.501 . . . . 0.0 108.096 175.154 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt -103.37 128.32 27.77 Favored Pre-proline 0 CA--C 1.585 2.29 0 CA-C-O 118.934 -0.555 . . . . 0.0 112.268 -173.079 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -93.91 -2.26 3.03 Favored 'Trans proline' 0 C--N 1.411 3.839 1 N-CA-C 123.611 4.427 . . . . 0.0 123.611 -176.17 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -90.15 -18.17 1.43 Allowed 'Trans proline' 0 C--N 1.399 3.196 1 N-CA-C 124.151 4.635 . . . . 0.0 124.151 -172.957 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.6 p -86.08 142.6 28.58 Favored 'General case' 0 C--N 1.391 2.388 0 CA-C-N 123.189 2.722 . . . . 0.0 116.505 -170.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.426 HG22 ' CD2' ' A' ' 4' ' ' TYR . 64.9 p -140.12 148.53 41.81 Favored 'General case' 0 C--N 1.38 1.898 0 CA-C-N 110.783 -2.917 . . . . 0.0 108.189 -179.666 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -115.78 119.4 35.9 Favored 'General case' 0 C--N 1.379 1.868 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 -174.72 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 53.6 m -75.25 107.08 7.12 Favored 'General case' 0 C--N 1.393 2.487 0 N-CA-C 101.93 -3.359 . . . . 0.0 101.93 169.457 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.6 t -113.96 146.97 39.36 Favored 'General case' 0 C--N 1.394 2.529 0 CA-C-O 123.249 1.5 . . . . 0.0 111.317 -170.111 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -89.93 -18.94 25.16 Favored 'General case' 0 C--N 1.383 2.043 0 CA-C-N 113.436 -1.711 . . . . 0.0 113.085 -174.27 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -76.32 128.71 35.42 Favored 'General case' 0 C--N 1.388 2.28 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 177.152 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.447 ' CG ' HH21 ' A' ' 1' ' ' ARG 2.163 46.9 m-20 -63.27 1.22 0.52 Allowed 'General case' 0 C--N 1.389 2.299 0 C-N-CA 127.913 2.485 . . . . 0.0 116.36 -172.589 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 35.9 m -144.11 152.07 40.44 Favored 'General case' 0 C--N 1.375 1.715 0 CA-C-O 122.779 1.276 . . . . 0.0 108.273 179.213 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.6 p -151.57 145.56 25.22 Favored 'General case' 0 C--N 1.379 1.887 0 CA-C-O 123.328 1.537 . . . . 0.0 109.38 -179.152 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.407 ' O ' ' HB2' ' A' ' 35' ' ' ARG . 35.4 p90 -116.96 144.9 44.03 Favored 'General case' 0 C--N 1.38 1.933 0 CA-C-N 114.34 -1.3 . . . . 0.0 114.445 -161.406 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.455 ' NZ ' ' O ' ' A' ' 58' ' ' ASN . 25.5 mtpp -96.21 112.31 24.09 Favored 'General case' 0 C--N 1.387 2.234 0 N-CA-C 104.232 -2.507 . . . . 0.0 104.232 177.6 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.512 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 2.2 t30 -115.43 126.02 53.84 Favored 'General case' 0 CA--C 1.582 2.194 0 N-CA-C 102.682 -3.081 . . . . 0.0 102.682 -175.709 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -124.38 -19.48 3.42 Favored 'Isoleucine or valine' 0 C--N 1.393 2.471 0 N-CA-C 116.883 2.179 . . . . 0.0 116.883 -149.568 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.512 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -85.54 -99.03 0.07 Allowed 'General case' 0 CA--C 1.578 2.03 1 C-N-CA 133.974 4.91 . . . . 0.0 104.986 178.205 . . . . . . . . 4 4 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.5 t 75.2 155.25 0.16 Allowed 'General case' 0 C--N 1.39 2.343 0 CA-C-O 122.467 1.127 . . . . 0.0 110.841 178.282 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -54.77 -44.23 73.47 Favored 'General case' 0 C--N 1.388 2.272 0 O-C-N 121.625 -0.672 . . . . 0.0 110.976 179.543 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.53 4.36 13.54 Favored 'General case' 0 CA--C 1.581 2.143 0 C-N-CA 128.48 2.712 . . . . 0.0 113.477 -177.608 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 53.06 67.63 0.97 Allowed 'General case' 0 C--N 1.394 2.533 0 CA-C-N 122.082 2.219 . . . . 0.0 105.598 178.019 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.484 HG12 ' H ' ' A' ' 8' ' ' GLY . 8.5 tp -153.52 164.45 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.384 2.089 0 CA-C-N 114.673 -1.149 . . . . 0.0 111.682 -169.53 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.9 mp -92.31 98.09 7.97 Favored 'Isoleucine or valine' 0 C--N 1.384 2.093 0 N-CA-C 102.636 -3.098 . . . . 0.0 102.636 173.844 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.51 HH11 ' HG2' ' A' ' 34' ' ' ARG . 9.0 ttp85 -143.57 125.1 14.83 Favored 'General case' 0 C--N 1.386 2.192 0 N-CA-C 103.841 -2.652 . . . . 0.0 103.841 -177.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.425 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -152.0 -166.54 2.52 Favored 'General case' 0 C--N 1.388 2.258 0 C-N-CA 118.087 -1.445 . . . . 0.0 114.166 -157.949 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -170.51 -169.02 33.12 Favored Glycine 0 C--N 1.393 3.71 1 C-N-CA 113.213 -4.327 . . . . 0.0 119.029 -174.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 49.4 t -95.87 117.29 30.3 Favored 'General case' 0 C--N 1.384 2.09 0 CA-C-N 113.382 -1.409 . . . . 0.0 109.331 -174.516 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.37 -87.37 0.07 OUTLIER Glycine 0 C--N 1.395 3.82 0 C-N-CA 116.973 -2.537 . . . . 0.0 106.783 173.951 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.351 28.4 t 78.53 -164.38 0.03 OUTLIER 'General case' 0 C--N 1.387 2.201 0 CA-C-N 114.57 -0.815 . . . . 0.0 112.216 -176.903 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 64.03 65.03 0.71 Allowed 'General case' 0 CA--C 1.586 2.345 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 164.293 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.2 t -127.72 95.11 35.78 Favored Pre-proline 0 C--N 1.396 2.6 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -178.29 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -108.35 79.7 0.02 OUTLIER 'Trans proline' 0 C--N 1.406 3.556 0 N-CA-C 109.119 -1.147 . . . . 0.0 109.119 -175.446 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.537 HH11 ' HG2' ' A' ' 43' ' ' ARG . 0.1 OUTLIER -154.99 154.66 32.88 Favored 'General case' 0 C--N 1.391 2.397 0 O-C-N 121.197 -0.939 . . . . 0.0 109.836 177.525 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -92.08 -27.56 15.83 Favored Glycine 0 C--N 1.394 3.802 0 CA-C-O 117.439 -1.756 . . . . 0.0 117.466 -171.545 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -116.8 40.08 3.04 Favored 'General case' 0 C--N 1.38 1.931 0 CA-C-N 120.567 2.183 . . . . 0.0 108.703 -178.838 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.4 tpt -146.94 99.68 3.99 Favored Pre-proline 0 CA--C 1.579 2.074 0 N-CA-C 102.717 -3.068 . . . . 0.0 102.717 -177.749 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -97.32 105.96 0.08 OUTLIER 'Trans proline' 0 C--N 1.399 3.191 0 N-CA-C 107.625 -1.721 . . . . 0.0 107.625 -170.008 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.57 155.43 24.9 Favored Glycine 0 C--N 1.39 3.578 0 O-C-N 120.759 -1.213 . . . . 0.0 112.673 177.861 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -50.7 151.92 10.13 Favored 'Trans proline' 0 C--N 1.393 2.888 0 CA-C-O 124.094 1.623 . . . . 0.0 108.591 169.817 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 26.7 p90 -77.93 149.87 34.11 Favored 'General case' 0 C--N 1.383 2.024 0 CA-C-N 113.454 -1.703 . . . . 0.0 110.679 -178.562 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.8 m -118.67 160.28 22.12 Favored 'General case' 0 C--N 1.391 2.392 0 N-CA-C 116.626 2.084 . . . . 0.0 116.626 -166.477 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.2 t -122.72 157.57 32.01 Favored 'General case' 0 C--N 1.38 1.925 0 CA-C-N 112.19 -2.277 . . . . 0.0 109.535 169.377 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -135.15 52.36 2.04 Favored 'General case' 0 C--N 1.383 2.046 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 170.887 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 t -143.58 174.14 11.04 Favored 'General case' 0 C--N 1.386 2.194 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.798 177.178 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.515 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 25.7 t70 -66.12 126.36 28.42 Favored 'General case' 0 C--N 1.387 2.197 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 179.16 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.515 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 36.8 mmtm 71.03 -87.93 0.03 OUTLIER 'General case' 0 C--N 1.388 2.26 0 C-N-CA 126.467 1.907 . . . . 0.0 110.098 176.123 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.293 5.1 m 82.53 50.42 0.02 OUTLIER 'General case' 0 C--N 1.385 2.146 0 C-N-CA 129.025 2.93 . . . . 0.0 109.162 -174.612 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.455 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 71.0 m-80 54.6 58.41 4.9 Favored 'General case' 0 C--N 1.39 2.337 0 C-N-CA 125.498 1.519 . . . . 0.0 109.01 174.442 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.8 tt . . . . . 0 CA--C 1.581 2.137 0 N-CA-C 102.649 -3.093 . . . . 0.0 102.649 -175.186 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.46 HH11 ' HG2' ' A' ' 1' ' ' ARG . 0.0 OUTLIER . . . . . 1 N--CA 1.541 4.093 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 . . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 78.2 mt -136.68 128.72 44.04 Favored 'Isoleucine or valine' 0 C--N 1.384 2.085 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 177.528 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.3 m -132.46 143.91 50.11 Favored 'General case' 0 C--N 1.39 2.329 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 172.796 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -82.57 160.21 22.6 Favored 'General case' 0 C--N 1.391 2.37 0 O-C-N 120.377 -1.452 . . . . 0.0 113.956 -167.419 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -138.33 -1.52 1.9 Allowed 'General case' 0 C--N 1.394 2.535 0 CA-C-O 118.228 -0.891 . . . . 0.0 112.24 -173.247 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.474 ' HB2' ' H ' ' A' ' 13' ' ' THR 2.217 15.6 m170 -68.38 -155.69 0.02 OUTLIER 'General case' 0 C--N 1.384 2.087 0 C-N-CA 125.783 1.633 . . . . 0.0 114.66 -170.277 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.489 ' H ' ' HA ' ' A' ' 11' ' ' PRO 0.281 60.9 mt 77.89 178.85 0.14 Allowed 'General case' 0 C--N 1.383 2.033 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 172.439 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 64.59 -127.05 33.67 Favored Glycine 0 CA--C 1.572 3.641 0 CA-C-O 123.155 1.42 . . . . 0.0 109.731 -170.711 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.1 m -69.79 -42.02 74.32 Favored 'General case' 0 C--N 1.385 2.121 0 O-C-N 121.878 -0.777 . . . . 0.0 111.142 -172.34 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -121.19 106.57 38.33 Favored Pre-proline 0 C--N 1.383 2.029 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 -173.453 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.489 ' HA ' ' H ' ' A' ' 7' ' ' LEU . 81.0 Cg_exo -84.22 -9.51 9.43 Favored 'Trans proline' 0 C--N 1.4 3.265 0 N-CA-C 122.385 3.956 . . . . 0.0 122.385 -176.66 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -75.8 -12.39 19.98 Favored 'Trans proline' 0 C--N 1.394 2.924 1 N-CA-C 128.474 6.298 . . . . 0.0 128.474 -172.968 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.474 ' H ' ' HB2' ' A' ' 6' ' ' HIS . 31.1 p -111.12 160.11 17.2 Favored 'General case' 0 C--N 1.389 2.321 1 CA-C-N 126.443 4.202 . . . . 0.0 118.942 -171.993 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 67.1 p -132.56 148.44 52.37 Favored 'General case' 0 C--N 1.373 1.629 0 CA-C-N 110.337 -3.119 . . . . 0.0 107.886 179.911 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -115.94 113.55 23.43 Favored 'General case' 0 C--N 1.384 2.075 0 CA-C-O 123.185 1.469 . . . . 0.0 110.121 -171.766 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.1 m -69.12 124.55 24.08 Favored 'General case' 0 C--N 1.392 2.441 0 N-CA-C 105.037 -2.208 . . . . 0.0 105.037 167.144 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -119.81 131.82 55.42 Favored 'General case' 0 C--N 1.384 2.072 0 N-CA-C 106.008 -1.849 . . . . 0.0 106.008 174.642 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.4 tp60 -141.29 56.8 1.53 Allowed 'General case' 0 C--N 1.376 1.733 0 N-CA-C 103.665 -2.717 . . . . 0.0 103.665 166.335 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -131.27 47.02 2.58 Favored 'General case' 0 C--N 1.383 2.051 0 N-CA-C 106.171 -1.789 . . . . 0.0 106.171 -179.406 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.346 0.9 OUTLIER 78.48 -44.8 0.39 Allowed 'General case' 0 C--N 1.385 2.134 0 C-N-CA 127.214 2.206 . . . . 0.0 114.819 173.367 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 73.0 m -148.39 162.55 39.33 Favored 'General case' 0 C--N 1.385 2.119 0 CA-C-O 123.795 1.759 . . . . 0.0 115.46 -170.213 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -142.77 178.76 7.43 Favored 'General case' 0 C--N 1.384 2.103 0 CA-C-N 112.955 -1.929 . . . . 0.0 112.412 174.397 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 49.0 p90 -152.81 156.63 39.43 Favored 'General case' 0 C--N 1.383 2.037 0 CA-C-O 123.546 1.641 . . . . 0.0 114.92 -170.021 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -108.32 135.06 50.25 Favored 'General case' 0 C--N 1.384 2.086 0 CA-C-N 112.119 -2.31 . . . . 0.0 107.076 173.388 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.611 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 2.4 t30 -133.57 119.04 18.96 Favored 'General case' 0 CA--C 1.573 1.843 0 N-CA-C 103.105 -2.924 . . . . 0.0 103.105 -177.278 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -136.37 -25.39 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.404 2.978 0 N-CA-C 118.798 2.888 . . . . 0.0 118.798 -151.496 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.611 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -63.83 -109.66 0.0 OUTLIER 'General case' 0 CA--C 1.591 2.547 1 C-N-CA 132.361 4.264 . . . . 0.0 108.146 172.262 . . . . . . . . 4 4 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.9 t 76.64 160.18 0.22 Allowed 'General case' 0 C--N 1.394 2.511 0 C-N-CA 125.744 1.618 . . . . 0.0 112.867 176.776 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -60.95 -46.27 91.39 Favored 'General case' 0 C--N 1.393 2.469 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 172.457 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -76.05 0.46 18.58 Favored 'General case' 0 CA--C 1.575 1.941 0 C-N-CA 126.899 2.079 . . . . 0.0 113.966 -176.711 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 71.0 m-80 54.49 67.46 1.01 Allowed 'General case' 0 C--N 1.396 2.607 0 CA-C-N 122.963 2.62 . . . . 0.0 107.498 173.155 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.0 tp -155.25 153.7 7.58 Favored 'Isoleucine or valine' 0 C--N 1.387 2.218 0 CA-C-O 121.811 0.815 . . . . 0.0 110.56 -174.819 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 30.1 mt -94.59 93.26 3.83 Favored 'Isoleucine or valine' 0 C--N 1.388 2.252 0 N-CA-C 105.343 -2.095 . . . . 0.0 105.343 179.499 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.422 HH11 ' HG2' ' A' ' 34' ' ' ARG . 1.8 ttp85 -130.88 111.74 12.36 Favored 'General case' 0 C--N 1.385 2.119 0 N-CA-C 103.179 -2.897 . . . . 0.0 103.179 -176.408 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.424 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -153.57 -162.42 1.45 Allowed 'General case' 0 C--N 1.383 2.041 0 CA-C-N 111.815 -2.448 . . . . 0.0 111.818 -154.32 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 178.42 -164.02 32.36 Favored Glycine 0 C--N 1.391 3.602 1 C-N-CA 113.569 -4.158 . . . . 0.0 119.046 -173.544 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.9 t -93.37 110.58 22.12 Favored 'General case' 0 C--N 1.38 1.893 0 CA-C-N 111.6 -2.3 . . . . 0.0 108.013 -178.418 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.11 -97.24 0.11 Allowed Glycine 1 C--N 1.4 4.121 0 C-N-CA 115.34 -3.314 . . . . 0.0 107.907 176.383 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.449 20.5 t 85.92 -155.96 0.01 OUTLIER 'General case' 0 C--N 1.38 1.897 0 N-CA-C 114.806 1.41 . . . . 0.0 114.806 179.226 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 62.9 69.51 0.59 Allowed 'General case' 0 C--N 1.386 2.162 0 N-CA-C 104.613 -2.366 . . . . 0.0 104.613 176.91 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 77.2 p -110.1 82.28 2.49 Favored Pre-proline 0 C--N 1.389 2.32 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 -178.219 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -77.85 160.25 30.83 Favored 'Trans proline' 0 C--N 1.392 2.838 0 N-CA-C 109.139 -1.139 . . . . 0.0 109.139 179.412 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.45 79.29 9.49 Favored 'General case' 0 C--N 1.386 2.175 0 N-CA-C 101.803 -3.406 . . . . 0.0 101.803 177.545 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -104.21 22.75 33.88 Favored Glycine 0 C--N 1.391 3.586 0 N-CA-C 110.015 -1.234 . . . . 0.0 110.015 171.149 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.292 38.0 m-20 65.97 41.02 3.85 Favored 'General case' 0 C--N 1.383 2.057 0 C-N-CA 128.301 2.641 . . . . 0.0 108.673 -175.624 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 51.1 mtm -133.55 126.89 19.36 Favored Pre-proline 0 C--N 1.388 2.254 0 N-CA-C 106.24 -1.763 . . . . 0.0 106.24 179.16 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_exo -69.87 174.16 10.01 Favored 'Trans proline' 0 C--N 1.398 3.135 0 N-CA-C 115.904 1.463 . . . . 0.0 115.904 178.727 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -178.12 172.11 44.61 Favored Glycine 0 C--N 1.39 3.532 0 C-N-CA 118.868 -1.634 . . . . 0.0 113.243 179.398 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -64.59 171.45 8.25 Favored 'Trans proline' 0 C--N 1.389 2.703 0 O-C-N 123.075 1.039 . . . . 0.0 111.301 172.883 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 7.6 p90 -97.85 128.53 44.53 Favored 'General case' 0 C--N 1.389 2.294 0 N-CA-C 106.914 -1.513 . . . . 0.0 106.914 179.345 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 8.3 m -121.03 167.6 12.42 Favored 'General case' 0 C--N 1.392 2.436 0 N-CA-C 117.593 2.442 . . . . 0.0 117.593 -162.033 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.9 t -158.36 158.43 34.25 Favored 'General case' 0 C--N 1.387 2.196 0 CA-C-N 113.593 -1.639 . . . . 0.0 111.967 -174.722 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -120.72 49.56 1.44 Allowed 'General case' 0 C--N 1.384 2.094 0 CA-C-O 121.201 0.524 . . . . 0.0 110.482 -178.623 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 93.5 p -143.55 166.5 24.65 Favored 'General case' 0 C--N 1.385 2.125 0 C-N-CA 123.829 0.852 . . . . 0.0 110.574 177.441 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.458 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 29.5 t0 -73.86 119.8 18.57 Favored 'General case' 0 C--N 1.395 2.572 0 C-N-CA 119.645 -0.822 . . . . 0.0 109.121 -170.237 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.458 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.304 3.5 mppt? 68.37 -57.65 0.48 Allowed 'General case' 0 C--N 1.4 2.788 0 C-N-CA 127.489 2.315 . . . . 0.0 107.96 -169.395 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 37.9 t 81.16 -50.87 0.29 Allowed 'General case' 0 C--N 1.383 2.06 0 C-N-CA 129.098 2.959 . . . . 0.0 108.485 178.877 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -123.97 -93.05 0.51 Allowed 'General case' 0 C--N 1.386 2.189 0 N-CA-C 102.865 -3.013 . . . . 0.0 102.865 169.449 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 CA--C 1.581 2.139 0 N-CA-C 102.076 -3.305 . . . . 0.0 102.076 -175.532 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.534 3.758 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.4 mt -106.3 129.83 59.0 Favored 'Isoleucine or valine' 0 C--N 1.389 2.314 0 CA-C-O 121.935 0.874 . . . . 0.0 111.49 -170.732 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.5 m -141.01 162.17 36.11 Favored 'General case' 0 C--N 1.389 2.325 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 167.688 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 59.1 m-85 -78.59 149.23 33.01 Favored 'General case' 0 C--N 1.388 2.275 0 O-C-N 121.144 -0.972 . . . . 0.0 112.424 -174.79 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 54.2 t-20 -138.63 57.37 1.69 Allowed 'General case' 0 C--N 1.387 2.231 0 N-CA-C 104.4 -2.444 . . . . 0.0 104.4 177.074 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.164 3.4 m170 -108.2 -149.34 0.43 Allowed 'General case' 0 C--N 1.386 2.195 0 C-N-CA 128.18 2.592 . . . . 0.0 112.045 -174.903 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.373 4.7 mp 64.6 -163.43 0.26 Allowed 'General case' 0 C--N 1.389 2.301 0 CA-C-O 122.388 1.09 . . . . 0.0 111.758 172.203 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 84.52 -52.3 4.68 Favored Glycine 0 C--N 1.384 3.244 0 N-CA-C 108.837 -1.705 . . . . 0.0 108.837 -166.779 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.7 m -175.41 -43.07 0.01 OUTLIER 'General case' 0 C--N 1.384 2.098 0 C-N-CA 125.61 1.564 . . . . 0.0 107.147 -175.995 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -104.46 118.8 55.75 Favored Pre-proline 0 CA--C 1.591 2.526 0 C-N-CA 125.118 1.367 . . . . 0.0 110.657 -174.009 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -92.78 13.23 1.83 Allowed 'Trans proline' 0 C--N 1.41 3.793 0 N-CA-C 122.397 3.96 . . . . 0.0 122.397 -179.091 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 5.0 Cg_exo -82.44 -19.24 6.57 Favored 'Trans proline' 0 C--N 1.405 3.516 1 N-CA-C 123.713 4.467 . . . . 0.0 123.713 -176.269 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.3 p -94.55 151.54 19.25 Favored 'General case' 0 C--N 1.392 2.419 0 CA-C-N 124.012 3.096 . . . . 0.0 116.46 -174.487 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 78.4 p -135.84 144.33 45.6 Favored 'General case' 0 C--N 1.382 2.016 0 CA-C-N 112.694 -2.048 . . . . 0.0 109.107 -176.904 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -99.88 88.75 3.86 Favored 'General case' 0 C--N 1.374 1.672 0 N-CA-C 105.39 -2.078 . . . . 0.0 105.39 -174.206 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.4 m -88.7 101.16 13.72 Favored 'General case' 0 C--N 1.389 2.317 0 N-CA-C 103.434 -2.802 . . . . 0.0 103.434 -179.75 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.6 t -131.65 160.79 34.36 Favored 'General case' 0 C--N 1.393 2.48 0 CA-C-O 123.303 1.525 . . . . 0.0 115.028 -163.292 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.63 -16.05 37.86 Favored 'General case' 0 C--N 1.378 1.832 0 CA-C-N 112.836 -1.984 . . . . 0.0 113.031 -178.27 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -74.36 127.72 33.73 Favored 'General case' 0 CA--C 1.585 2.294 0 N-CA-C 106.491 -1.67 . . . . 0.0 106.491 178.635 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.095 68.6 m-20 -47.45 -40.33 17.92 Favored 'General case' 0 C--N 1.388 2.253 0 C-N-CA 130.423 3.489 . . . . 0.0 114.735 -171.595 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.1 t -117.78 134.46 54.89 Favored 'General case' 0 C--N 1.378 1.826 0 N-CA-C 106.618 -1.623 . . . . 0.0 106.618 -174.976 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.269 22.9 p -117.91 145.31 44.74 Favored 'General case' 0 C--N 1.383 2.029 0 CA-C-O 124.425 2.059 . . . . 0.0 109.468 173.541 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.0 p90 -112.01 157.58 20.57 Favored 'General case' 0 C--N 1.375 1.686 0 CA-C-N 113.007 -1.906 . . . . 0.0 112.077 -165.445 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.418 ' NZ ' ' O ' ' A' ' 57' ' ' CYS . 43.4 mttt -120.64 112.3 18.72 Favored 'General case' 0 C--N 1.378 1.832 0 CA-C-O 124.907 2.289 . . . . 0.0 104.967 -178.365 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -114.9 119.21 35.77 Favored 'General case' 0 CA--C 1.58 2.105 0 N-CA-C 102.986 -2.968 . . . . 0.0 102.986 -174.453 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.5 pp -135.24 28.04 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.395 2.562 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 -154.46 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.55 ' N ' ' CD1' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -146.07 -107.02 0.1 Allowed 'General case' 0 CA--C 1.574 1.894 0 C-N-CA 127.58 2.352 . . . . 0.0 104.993 -164.199 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.4 t 75.83 160.6 0.23 Allowed 'General case' 0 C--N 1.391 2.386 0 O-C-N 120.9 -1.125 . . . . 0.0 111.815 179.229 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -59.15 -38.65 80.21 Favored 'General case' 0 C--N 1.391 2.371 0 O-C-N 121.795 -0.565 . . . . 0.0 109.764 176.063 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -79.17 2.57 20.53 Favored 'General case' 0 CA--C 1.585 2.324 0 C-N-CA 128.629 2.772 . . . . 0.0 114.362 -178.8 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . 0.251 1.5 t30 50.23 78.69 0.1 Allowed 'General case' 0 C--N 1.391 2.398 0 C-N-CA 128.157 2.583 . . . . 0.0 108.228 175.91 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 tp -160.52 170.25 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.388 2.247 0 C-N-CA 120.225 -0.59 . . . . 0.0 111.494 -175.981 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 59.2 mt -104.61 116.66 48.84 Favored 'Isoleucine or valine' 0 C--N 1.387 2.229 0 N-CA-C 105.333 -2.099 . . . . 0.0 105.333 172.385 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.511 HH11 ' HG2' ' A' ' 34' ' ' ARG . 3.3 ttp85 -161.16 110.66 1.64 Allowed 'General case' 0 C--N 1.383 2.023 0 N-CA-C 101.58 -3.489 . . . . 0.0 101.58 -171.987 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.401 HH22 ' C ' ' A' ' 59' ' ' LEU . 31.9 ptt85 -143.78 -172.47 3.75 Favored 'General case' 0 C--N 1.384 2.086 0 CA-C-N 114.4 -1.273 . . . . 0.0 113.397 -157.326 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 177.43 -167.72 38.97 Favored Glycine 0 C--N 1.39 3.569 0 C-N-CA 114.453 -3.737 . . . . 0.0 116.49 -171.533 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 21.1 p -90.98 124.13 34.99 Favored 'General case' 0 C--N 1.387 2.226 0 CA-C-O 122.59 1.186 . . . . 0.0 109.895 -178.645 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -166.1 -104.74 0.18 Allowed Glycine 0 C--N 1.392 3.655 0 N-CA-C 105.595 -3.002 . . . . 0.0 105.595 177.811 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.322 43.0 t 84.0 -49.55 0.12 Allowed 'General case' 0 C--N 1.39 2.345 0 O-C-N 121.768 -0.842 . . . . 0.0 111.132 177.002 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -89.71 79.27 6.79 Favored 'General case' 0 C--N 1.384 2.095 0 N-CA-C 103.028 -2.953 . . . . 0.0 103.028 -172.558 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 37.8 p -100.04 124.75 42.37 Favored Pre-proline 0 C--N 1.388 2.269 0 CA-C-N 114.126 -1.397 . . . . 0.0 110.084 -168.284 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -70.86 150.11 60.97 Favored 'Trans proline' 0 C--N 1.395 3.017 0 C-N-CA 120.888 1.059 . . . . 0.0 110.752 179.935 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 42.2 tpt85 -88.64 62.6 6.57 Favored 'General case' 0 C--N 1.391 2.401 0 N-CA-C 107.564 -1.273 . . . . 0.0 107.564 -179.994 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -115.54 42.74 1.83 Allowed Glycine 0 C--N 1.387 3.377 0 N-CA-C 110.238 -1.145 . . . . 0.0 110.238 175.155 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.282 10.2 m-20 56.06 47.65 19.26 Favored 'General case' 0 C--N 1.384 2.088 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 178.828 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.9 ttm -113.65 135.42 21.95 Favored Pre-proline 0 C--N 1.386 2.185 0 C-N-CA 126.555 1.942 . . . . 0.0 106.251 178.195 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -64.03 146.78 91.5 Favored 'Trans proline' 0 C--N 1.396 3.037 0 CA-C-O 122.379 0.908 . . . . 0.0 112.552 -174.719 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.4 ' HA2' ' HD2' ' A' ' 49' ' ' PRO . . . -111.77 92.89 0.67 Allowed Glycine 0 C--N 1.386 3.313 0 N-CA-C 107.393 -2.283 . . . . 0.0 107.393 179.081 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.4 ' HD2' ' HA2' ' A' ' 48' ' ' GLY . 98.4 Cg_endo -58.35 163.08 10.87 Favored 'Trans proline' 0 C--N 1.388 2.647 0 C-N-CA 121.826 1.684 . . . . 0.0 110.135 172.051 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -75.22 148.01 39.86 Favored 'General case' 0 C--N 1.394 2.509 0 C-N-CA 117.569 -1.652 . . . . 0.0 108.421 178.418 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 17.7 m -118.64 157.59 27.11 Favored 'General case' 0 C--N 1.391 2.412 0 N-CA-C 116.252 1.945 . . . . 0.0 116.252 -167.295 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 3.4 t -145.5 161.84 38.8 Favored 'General case' 0 C--N 1.386 2.156 0 CA-C-N 113.704 -1.589 . . . . 0.0 110.5 172.478 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -137.52 36.26 2.46 Favored 'General case' 0 C--N 1.382 2.011 0 O-C-N 121.087 -1.008 . . . . 0.0 110.74 -179.213 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 32.4 t -123.05 157.1 33.5 Favored 'General case' 0 C--N 1.379 1.858 0 C-N-CA 126.515 1.926 . . . . 0.0 109.806 179.901 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.532 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 41.7 t0 -69.67 113.26 6.77 Favored 'General case' 0 C--N 1.389 2.301 0 N-CA-C 105.902 -1.888 . . . . 0.0 105.902 -175.818 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.532 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.301 4.5 mptt 74.12 -44.26 0.56 Allowed 'General case' 0 C--N 1.397 2.667 0 C-N-CA 126.223 1.809 . . . . 0.0 110.152 -176.506 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.418 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 40.8 t 67.95 62.63 0.4 Allowed 'General case' 0 C--N 1.38 1.905 0 N-CA-C 104.787 -2.301 . . . . 0.0 104.787 177.9 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.2 m120 84.72 -66.72 0.05 OUTLIER 'General case' 0 C--N 1.391 2.382 0 C-N-CA 127.276 2.23 . . . . 0.0 107.219 179.643 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.409 ' OXT' ' NZ ' ' A' ' 24' ' ' LYS . 1.3 pt? . . . . . 0 CA--C 1.579 2.077 0 N-CA-C 102.927 -2.99 . . . . 0.0 102.927 177.868 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.491 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 23.1 mmt-85 . . . . . 0 N--CA 1.539 3.999 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 8.5 mt -124.81 127.96 72.97 Favored 'Isoleucine or valine' 0 C--N 1.383 2.055 0 N-CA-C 107.475 -1.306 . . . . 0.0 107.475 174.289 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 82.6 m -132.94 178.94 6.49 Favored 'General case' 0 C--N 1.386 2.176 0 CA-C-O 121.433 0.635 . . . . 0.0 110.07 169.148 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -96.38 164.64 12.55 Favored 'General case' 0 C--N 1.378 1.841 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -174.776 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 34.3 p-10 -145.31 16.28 1.5 Allowed 'General case' 0 C--N 1.387 2.228 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.982 175.848 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.214 22.7 m-70 -70.08 -173.05 0.61 Allowed 'General case' 0 C--N 1.389 2.304 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -170.252 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.264 44.5 mt 73.5 179.47 0.22 Allowed 'General case' 0 C--N 1.391 2.373 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 175.699 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 88.52 -44.21 3.15 Favored Glycine 0 C--N 1.392 3.663 0 N-CA-C 115.402 0.921 . . . . 0.0 115.402 -176.402 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.6 m -161.89 -46.9 0.04 OUTLIER 'General case' 0 C--N 1.374 1.661 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 -176.363 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -101.04 142.74 25.22 Favored Pre-proline 0 C--N 1.39 2.332 0 N-CA-C 112.52 0.563 . . . . 0.0 112.52 -171.42 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 0.3 OUTLIER -58.64 166.5 6.37 Favored 'Trans proline' 0 C--N 1.402 3.382 0 C-N-CA 123.026 2.484 . . . . 0.0 114.29 170.367 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_exo -30.64 129.19 0.07 OUTLIER 'Trans proline' 0 C--N 1.398 3.147 1 C-N-CA 125.756 4.304 . . . . 0.0 115.946 -176.504 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.1 m -162.04 154.4 19.55 Favored 'General case' 0 C--N 1.39 2.365 0 N-CA-C 106.911 -1.515 . . . . 0.0 106.911 178.409 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.2 p -143.21 158.5 43.57 Favored 'General case' 0 C--N 1.382 2.015 0 C-N-CA 123.553 0.741 . . . . 0.0 111.853 -165.372 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -127.66 116.13 19.82 Favored 'General case' 0 C--N 1.387 2.231 0 CA-C-O 123.035 1.398 . . . . 0.0 110.708 -171.664 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 19.2 m -76.9 124.95 28.49 Favored 'General case' 0 C--N 1.39 2.361 0 N-CA-C 104.929 -2.248 . . . . 0.0 104.929 170.607 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.4 t -123.25 139.05 54.44 Favored 'General case' 0 C--N 1.385 2.13 0 CA-C-O 124.524 2.107 . . . . 0.0 110.361 -172.825 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.3 -22.0 15.79 Favored 'General case' 0 CA--C 1.569 1.701 0 C-N-CA 129.788 3.235 . . . . 0.0 110.034 174.315 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -81.31 108.27 14.8 Favored 'General case' 0 C--N 1.391 2.382 0 N-CA-C 102.401 -3.185 . . . . 0.0 102.401 171.179 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.148 66.0 m-20 -47.39 7.91 0.0 OUTLIER 'General case' 0 CA--C 1.584 2.276 1 C-N-CA 132.95 4.5 . . . . 0.0 118.6 -172.713 . . . . . . . . 4 3 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.1 t -149.91 131.35 14.74 Favored 'General case' 0 C--N 1.38 1.901 0 CA-C-N 122.186 2.267 . . . . 0.0 107.097 -178.495 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 29.3 p -136.4 144.11 44.33 Favored 'General case' 0 C--N 1.383 2.058 0 CA-C-O 123.288 1.518 . . . . 0.0 109.7 -179.978 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -127.17 162.2 26.71 Favored 'General case' 0 C--N 1.386 2.161 0 N-CA-C 118.045 2.609 . . . . 0.0 118.045 -157.235 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.505 ' NZ ' ' OXT' ' A' ' 59' ' ' LEU . 65.7 mmtt -93.37 139.08 31.07 Favored 'General case' 0 C--N 1.398 2.677 0 CA-C-O 122.783 1.278 . . . . 0.0 107.716 166.407 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.568 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 2.6 t30 -136.03 122.86 21.21 Favored 'General case' 0 CA--C 1.575 1.938 0 N-CA-C 103.143 -2.91 . . . . 0.0 103.143 -179.359 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.29 -17.23 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.403 2.921 0 N-CA-C 117.996 2.591 . . . . 0.0 117.996 -151.428 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.568 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -81.76 -105.84 0.03 OUTLIER 'General case' 0 CA--C 1.589 2.448 1 C-N-CA 133.471 4.708 . . . . 0.0 106.694 179.219 . . . . . . . . 4 4 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 t 79.03 159.72 0.18 Allowed 'General case' 0 C--N 1.393 2.464 0 C-N-CA 125.13 1.372 . . . . 0.0 113.951 173.05 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -68.98 -39.07 79.62 Favored 'General case' 0 C--N 1.392 2.433 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.316 -179.92 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -77.36 -5.26 48.98 Favored 'General case' 0 CA--C 1.577 1.997 0 C-N-CA 127.773 2.429 . . . . 0.0 113.015 179.227 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 44.6 t30 65.34 74.1 0.39 Allowed 'General case' 0 C--N 1.397 2.66 0 CA-C-N 122.027 2.194 . . . . 0.0 106.779 173.746 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 tp -167.04 164.28 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.397 2.651 0 C-N-CA 118.06 -1.456 . . . . 0.0 113.422 -169.162 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.2 mp -100.98 100.78 11.04 Favored 'Isoleucine or valine' 0 C--N 1.39 2.365 0 N-CA-C 104.987 -2.227 . . . . 0.0 104.987 179.266 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.575 HH11 ' HG2' ' A' ' 34' ' ' ARG . 1.6 ttp85 -147.38 108.41 4.22 Favored 'General case' 0 C--N 1.386 2.179 0 N-CA-C 102.802 -3.036 . . . . 0.0 102.802 -171.145 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.467 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.7 OUTLIER -140.26 -170.09 2.9 Favored 'General case' 0 C--N 1.387 2.207 0 CA-C-N 112.732 -2.031 . . . . 0.0 114.261 -154.698 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 172.64 -164.04 36.14 Favored Glycine 1 C--N 1.4 4.099 1 C-N-CA 113.206 -4.331 . . . . 0.0 122.226 -175.094 . . . . . . . . 3 2 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.1 t -87.79 111.95 21.92 Favored 'General case' 0 C--N 1.39 2.337 0 C-N-CA 126.108 1.763 . . . . 0.0 108.853 -177.156 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.54 -93.45 0.09 OUTLIER Glycine 1 C--N 1.4 4.095 0 C-N-CA 116.12 -2.943 . . . . 0.0 107.29 173.758 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.362 43.0 t 82.0 -55.31 0.24 Allowed 'General case' 0 C--N 1.386 2.161 0 C-N-CA 124.963 1.305 . . . . 0.0 112.203 174.801 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -86.19 79.84 8.97 Favored 'General case' 0 C--N 1.388 2.252 0 N-CA-C 107.008 -1.478 . . . . 0.0 107.008 -167.896 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.7 t -114.42 99.11 50.66 Favored Pre-proline 0 C--N 1.381 1.954 0 N-CA-C 103.763 -2.68 . . . . 0.0 103.763 178.538 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -86.44 69.22 4.5 Favored 'Trans proline' 0 C--N 1.403 3.447 0 N-CA-C 106.521 -2.146 . . . . 0.0 106.521 179.884 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.464 HH11 ' HG2' ' A' ' 43' ' ' ARG . 0.0 OUTLIER -146.6 130.01 16.75 Favored 'General case' 0 C--N 1.383 2.025 0 CA-C-O 122.068 0.937 . . . . 0.0 108.573 -179.603 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -87.33 -29.59 21.75 Favored Glycine 0 C--N 1.389 3.525 0 O-C-N 121.248 -0.907 . . . . 0.0 111.83 172.762 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -100.36 35.53 2.09 Favored 'General case' 0 C--N 1.384 2.094 0 C-N-CA 126.19 1.796 . . . . 0.0 110.925 -175.989 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -146.75 101.12 3.97 Favored Pre-proline 0 C--N 1.374 1.655 0 N-CA-C 101.331 -3.581 . . . . 0.0 101.331 177.102 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_exo -59.08 123.3 13.16 Favored 'Trans proline' 0 C--N 1.396 3.044 0 CA-C-O 122.492 0.955 . . . . 0.0 110.065 -174.484 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.64 167.71 28.68 Favored Glycine 0 C--N 1.387 3.399 0 CA-C-O 122.113 0.841 . . . . 0.0 114.115 -179.812 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -85.01 168.49 10.59 Favored 'Trans proline' 0 C--N 1.382 2.321 0 C-N-CA 122.821 2.347 . . . . 0.0 111.228 179.416 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -84.8 114.5 22.12 Favored 'General case' 0 CA--C 1.577 2.012 0 N-CA-C 101.742 -3.429 . . . . 0.0 101.742 177.077 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 17.7 m -112.33 156.81 21.83 Favored 'General case' 0 C--N 1.396 2.618 0 N-CA-C 115.392 1.627 . . . . 0.0 115.392 -165.916 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 6.5 t -129.88 159.31 36.99 Favored 'General case' 0 C--N 1.383 2.033 0 CA-C-N 113.322 -1.763 . . . . 0.0 110.418 176.442 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -128.23 46.08 2.65 Favored 'General case' 0 C--N 1.375 1.688 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.298 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 40.4 p -153.12 175.17 13.31 Favored 'General case' 0 C--N 1.385 2.133 0 CA-C-O 121.561 0.696 . . . . 0.0 111.395 179.172 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.463 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 16.1 t0 -74.08 109.84 7.9 Favored 'General case' 0 CA--C 1.582 2.209 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 -175.929 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.463 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 10.3 mptt 73.37 -53.09 0.7 Allowed 'General case' 0 C--N 1.395 2.586 0 C-N-CA 127.802 2.441 . . . . 0.0 114.304 173.337 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER 56.43 51.95 10.68 Favored 'General case' 0 CA--C 1.581 2.163 0 N-CA-C 106.771 -1.566 . . . . 0.0 106.771 -177.933 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.6 m120 63.79 79.21 0.26 Allowed 'General case' 0 C--N 1.392 2.451 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 177.344 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.505 ' OXT' ' NZ ' ' A' ' 24' ' ' LYS . 86.9 mt . . . . . 0 CA--C 1.599 2.859 0 C-N-CA 126.14 1.776 . . . . 0.0 112.692 170.51 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 1 N--CA 1.552 4.645 0 CA-C-O 117.888 -1.053 . . . . 0.0 108.91 . . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.402 HG12 ' HA ' ' A' ' 16' ' ' THR . 10.1 mt -93.95 144.11 10.26 Favored 'Isoleucine or valine' 0 C--N 1.397 2.67 0 CA-C-N 120.655 1.57 . . . . 0.0 110.773 -179.001 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.2 m -147.96 166.43 27.71 Favored 'General case' 0 C--N 1.388 2.28 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.907 167.607 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -75.14 165.95 24.41 Favored 'General case' 0 C--N 1.387 2.198 0 CA-C-O 122.035 0.921 . . . . 0.0 112.277 177.135 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.7 t30 -161.71 50.43 0.22 Allowed 'General case' 0 C--N 1.382 2.006 0 N-CA-C 104.219 -2.512 . . . . 0.0 104.219 168.504 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.51 ' C ' HD12 ' A' ' 7' ' ' LEU 2.194 4.4 m170 -89.46 -147.03 0.17 Allowed 'General case' 0 C--N 1.387 2.196 0 C-N-CA 124.972 1.309 . . . . 0.0 108.76 177.048 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.51 HD12 ' C ' ' A' ' 6' ' ' HIS 0.282 0.3 OUTLIER 62.66 -175.12 0.15 Allowed 'General case' 0 C--N 1.386 2.179 0 CA-C-O 122.359 1.076 . . . . 0.0 113.785 170.21 . . . . . . . . 4 4 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.51 -55.43 4.47 Favored Glycine 0 C--N 1.388 3.445 0 N-CA-C 109.516 -1.433 . . . . 0.0 109.516 -171.41 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 97.3 m -163.05 -43.79 0.03 OUTLIER 'General case' 0 C--N 1.378 1.83 0 N-CA-C 106.995 -1.483 . . . . 0.0 106.995 -177.609 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 47.2 mmtt -107.16 129.6 24.09 Favored Pre-proline 0 C--N 1.388 2.271 0 C-N-CA 123.076 0.551 . . . . 0.0 111.22 -173.915 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -97.16 5.14 1.56 Allowed 'Trans proline' 0 CA--C 1.6 3.789 0 N-CA-C 119.883 2.993 . . . . 0.0 119.883 -176.366 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_exo -91.8 -19.96 0.72 Allowed 'Trans proline' 0 C--N 1.406 3.557 1 N-CA-C 124.21 4.658 . . . . 0.0 124.21 -175.148 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.1 p -89.85 141.9 28.2 Favored 'General case' 0 C--N 1.392 2.423 0 CA-C-N 123.539 2.881 . . . . 0.0 116.197 -172.402 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 71.8 p -130.59 140.24 50.44 Favored 'General case' 0 C--N 1.38 1.904 0 CA-C-N 113.088 -1.869 . . . . 0.0 106.42 173.318 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -103.93 118.08 35.84 Favored 'General case' 0 C--N 1.381 1.943 0 CA-C-O 121.309 0.576 . . . . 0.0 109.747 -172.027 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.402 ' HA ' HG12 ' A' ' 2' ' ' ILE . 54.5 m -84.97 109.42 18.16 Favored 'General case' 0 C--N 1.388 2.273 0 N-CA-C 103.068 -2.938 . . . . 0.0 103.068 173.237 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.3 t -114.5 150.5 34.76 Favored 'General case' 0 C--N 1.394 2.539 0 CA-C-O 123.494 1.616 . . . . 0.0 113.364 -168.168 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 45.6 mm-40 -81.25 -3.36 52.17 Favored 'General case' 0 C--N 1.382 1.983 0 CA-C-N 112.995 -1.912 . . . . 0.0 112.595 179.977 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -100.47 137.16 39.26 Favored 'General case' 0 C--N 1.388 2.26 0 CA-C-O 123.917 1.817 . . . . 0.0 109.281 -178.313 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . 2.145 24.0 m-20 -45.38 -44.19 11.69 Favored 'General case' 0 C--N 1.38 1.899 0 C-N-CA 128.332 2.653 . . . . 0.0 111.048 -176.052 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 45.7 t -129.08 147.47 50.94 Favored 'General case' 0 C--N 1.391 2.377 0 CA-C-O 123.611 1.672 . . . . 0.0 113.018 -174.738 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.266 26.1 p -136.08 155.84 49.6 Favored 'General case' 0 C--N 1.388 2.275 0 CA-C-N 114.409 -1.268 . . . . 0.0 112.81 179.81 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -132.67 155.79 48.14 Favored 'General case' 0 C--N 1.391 2.405 0 N-CA-C 116.693 2.109 . . . . 0.0 116.693 -159.078 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.21 124.33 45.51 Favored 'General case' 0 C--N 1.394 2.508 0 CA-C-N 113.619 -1.628 . . . . 0.0 108.394 178.241 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.551 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 0.8 OUTLIER -118.98 115.45 24.37 Favored 'General case' 0 CA--C 1.591 2.522 0 N-CA-C 102.555 -3.128 . . . . 0.0 102.555 -178.69 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -119.63 -26.49 2.39 Favored 'Isoleucine or valine' 0 C--N 1.402 2.876 0 N-CA-C 117.843 2.534 . . . . 0.0 117.843 -155.666 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.582 ' N ' ' CD1' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -63.16 -104.6 0.0 OUTLIER 'General case' 0 CA--C 1.599 2.837 1 C-N-CA 132.226 4.211 . . . . 0.0 106.866 168.221 . . . . . . . . 4 4 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.4 t 76.54 158.55 0.2 Allowed 'General case' 0 C--N 1.393 2.479 0 C-N-CA 126.31 1.844 . . . . 0.0 111.103 178.629 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -62.86 -44.12 96.97 Favored 'General case' 0 C--N 1.388 2.252 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.035 173.582 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -73.93 -2.06 22.37 Favored 'General case' 0 CA--C 1.581 2.172 0 CA-C-O 116.152 -1.88 . . . . 0.0 114.357 -178.385 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.0 t30 61.86 71.23 0.55 Allowed 'General case' 0 C--N 1.397 2.66 0 CA-C-N 124.014 3.097 . . . . 0.0 105.772 177.009 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.1 tp -166.92 158.08 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.391 2.373 0 C-N-CA 117.584 -1.646 . . . . 0.0 111.786 -173.129 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 52.0 mt -92.63 90.94 3.21 Favored 'Isoleucine or valine' 0 C--N 1.388 2.254 0 N-CA-C 103.644 -2.724 . . . . 0.0 103.644 176.902 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.472 HH11 ' HG3' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -141.44 124.86 16.61 Favored 'General case' 0 C--N 1.384 2.07 0 N-CA-C 102.657 -3.09 . . . . 0.0 102.657 -176.11 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.416 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -161.29 -164.8 1.2 Allowed 'General case' 0 C--N 1.391 2.393 0 CA-C-N 112.886 -1.961 . . . . 0.0 112.442 -149.4 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -166.37 -167.16 26.61 Favored Glycine 0 C--N 1.391 3.601 1 C-N-CA 112.437 -4.697 . . . . 0.0 119.194 -170.251 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.1 t -102.72 116.73 33.15 Favored 'General case' 0 C--N 1.379 1.885 0 CA-C-N 112.06 -2.07 . . . . 0.0 108.746 -173.947 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.79 -81.9 0.05 OUTLIER Glycine 0 C--N 1.397 3.937 0 C-N-CA 115.698 -3.144 . . . . 0.0 106.36 178.326 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.37 41.9 t 82.36 -53.85 0.22 Allowed 'General case' 0 C--N 1.384 2.069 0 CA-C-N 113.275 -1.462 . . . . 0.0 108.934 -178.949 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -90.21 63.27 5.72 Favored 'General case' 0 C--N 1.38 1.908 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 -168.714 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 15.4 t -100.27 141.09 22.06 Favored Pre-proline 0 C--N 1.392 2.428 0 C-N-CA 126.245 1.818 . . . . 0.0 109.224 -179.268 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -52.94 134.57 55.82 Favored 'Trans proline' 0 C--N 1.397 3.108 0 CA-C-O 123.554 1.398 . . . . 0.0 108.626 172.549 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -151.75 149.04 28.6 Favored 'General case' 0 C--N 1.383 2.026 0 CA-C-N 114.624 -1.171 . . . . 0.0 109.221 -179.268 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 153.65 -94.71 0.15 Allowed Glycine 0 C--N 1.389 3.476 0 N-CA-C 104.406 -3.477 . . . . 0.0 104.406 -173.004 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -91.89 27.07 2.2 Favored 'General case' 0 C--N 1.391 2.377 0 CA-C-O 122.206 1.003 . . . . 0.0 109.027 170.264 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 43.0 mtt -138.59 97.3 9.28 Favored Pre-proline 0 C--N 1.378 1.848 0 N-CA-C 103.996 -2.594 . . . . 0.0 103.996 -179.423 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -68.37 117.81 5.21 Favored 'Trans proline' 0 C--N 1.394 2.943 0 N-CA-C 109.18 -1.123 . . . . 0.0 109.18 179.322 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -104.12 176.16 23.44 Favored Glycine 0 C--N 1.393 3.739 0 O-C-N 120.674 -1.266 . . . . 0.0 114.666 179.825 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 0.6 OUTLIER -62.19 169.84 7.22 Favored 'Trans proline' 0 C--N 1.392 2.83 0 C-N-CA 122.545 2.163 . . . . 0.0 115.331 174.451 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -103.61 137.16 42.06 Favored 'General case' 0 C--N 1.384 2.102 0 CA-C-N 114.443 -1.253 . . . . 0.0 109.298 179.935 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 9.2 m -119.36 157.14 28.76 Favored 'General case' 0 C--N 1.395 2.573 0 N-CA-C 117.849 2.537 . . . . 0.0 117.849 -165.065 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.8 t -128.11 151.12 49.59 Favored 'General case' 0 C--N 1.384 2.07 0 CA-C-N 113.139 -1.846 . . . . 0.0 108.189 170.692 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.17 34.49 5.2 Favored 'General case' 0 C--N 1.379 1.866 0 O-C-N 120.753 -1.217 . . . . 0.0 111.407 -176.393 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.2 t -137.7 -178.05 5.07 Favored 'General case' 0 C--N 1.38 1.901 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.277 178.17 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.64 102.46 8.94 Favored 'General case' 0 C--N 1.382 1.989 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 -169.416 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? 73.52 -54.98 0.68 Allowed 'General case' 0 C--N 1.394 2.502 0 C-N-CA 126.396 1.878 . . . . 0.0 110.971 -179.588 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.25 75.1 m 78.55 -50.44 0.47 Allowed 'General case' 0 C--N 1.381 1.956 0 C-N-CA 129.043 2.937 . . . . 0.0 108.111 -176.032 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -164.2 -82.22 0.03 OUTLIER 'General case' 0 C--N 1.387 2.198 0 N-CA-C 104.282 -2.488 . . . . 0.0 104.282 176.571 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.1 tp . . . . . 0 CA--C 1.575 1.908 1 N-CA-C 98.95 -4.463 . . . . 0.0 98.95 177.284 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.529 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.536 3.854 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 . . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 27.9 mt -87.02 119.58 35.03 Favored 'Isoleucine or valine' 0 C--N 1.395 2.544 0 CA-C-O 122.253 1.025 . . . . 0.0 109.696 -169.226 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.5 m -138.96 136.8 35.8 Favored 'General case' 0 C--N 1.388 2.249 0 N-CA-C 106.4 -1.704 . . . . 0.0 106.4 175.837 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -76.67 159.57 30.11 Favored 'General case' 0 C--N 1.389 2.322 0 N-CA-C 114.493 1.294 . . . . 0.0 114.493 -163.099 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 51.1 p-10 -147.18 37.3 0.94 Allowed 'General case' 0 C--N 1.393 2.465 0 C-N-CA 118.704 -1.199 . . . . 0.0 109.53 179.786 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.221 6.8 m170 -78.42 -143.69 0.03 OUTLIER 'General case' 0 CA--C 1.585 2.321 0 C-N-CA 125.03 1.332 . . . . 0.0 109.758 -179.329 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.323 5.4 mp 68.17 179.96 0.23 Allowed 'General case' 0 C--N 1.393 2.499 0 O-C-N 120.321 -1.487 . . . . 0.0 113.902 173.192 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 86.97 -63.94 3.97 Favored Glycine 0 C--N 1.39 3.552 0 N-CA-C 108.741 -1.744 . . . . 0.0 108.741 -169.705 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.6 m -161.43 -45.88 0.04 OUTLIER 'General case' 0 C--N 1.379 1.874 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 -179.58 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -96.03 124.91 50.35 Favored Pre-proline 0 C--N 1.385 2.116 0 CA-C-O 118.555 -0.736 . . . . 0.0 109.046 -177.336 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -101.86 -4.13 0.36 Allowed 'Trans proline' 0 C--N 1.409 3.745 0 CA-C-O 114.922 -2.199 . . . . 0.0 117.502 -179.271 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -73.86 -17.82 22.35 Favored 'Trans proline' 0 C--N 1.401 3.293 1 N-CA-C 123.767 4.487 . . . . 0.0 123.767 -176.619 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.1 p -97.9 154.48 17.62 Favored 'General case' 0 C--N 1.394 2.508 0 CA-C-N 124.691 3.405 . . . . 0.0 115.64 -174.206 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 64.9 p -135.16 148.59 49.76 Favored 'General case' 0 C--N 1.376 1.73 0 CA-C-N 111.728 -2.487 . . . . 0.0 109.319 -179.536 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -102.27 103.2 13.67 Favored 'General case' 0 C--N 1.38 1.929 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 -170.542 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 36.8 m -86.89 105.62 17.19 Favored 'General case' 0 C--N 1.388 2.254 0 N-CA-C 102.979 -2.971 . . . . 0.0 102.979 179.574 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 3.3 t -115.32 154.87 28.35 Favored 'General case' 0 C--N 1.396 2.614 0 N-CA-C 115.535 1.68 . . . . 0.0 115.535 -164.287 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -95.67 -29.89 14.06 Favored 'General case' 0 C--N 1.382 1.98 0 CA-C-N 112.873 -1.967 . . . . 0.0 111.247 177.118 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -74.67 111.57 10.0 Favored 'General case' 0 CA--C 1.583 2.232 0 N-CA-C 103.694 -2.706 . . . . 0.0 103.694 175.353 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.092 76.8 m-20 -54.43 -8.58 0.23 Allowed 'General case' 0 C--N 1.389 2.314 0 C-N-CA 128.289 2.635 . . . . 0.0 116.658 -174.919 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 39.8 t -118.36 133.48 55.84 Favored 'General case' 0 C--N 1.381 1.941 0 CA-C-N 120.401 1.455 . . . . 0.0 107.929 -179.451 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 11.8 p -133.55 146.66 51.24 Favored 'General case' 0 C--N 1.381 1.949 0 CA-C-O 123.775 1.75 . . . . 0.0 109.886 178.373 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -130.77 143.85 51.03 Favored 'General case' 0 C--N 1.385 2.145 0 CA-C-N 113.058 -1.883 . . . . 0.0 114.805 -155.933 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.35 116.98 29.45 Favored 'General case' 0 C--N 1.388 2.275 0 N-CA-C 105.812 -1.921 . . . . 0.0 105.812 178.318 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.585 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 5.5 t30 -119.81 123.24 43.2 Favored 'General case' 0 CA--C 1.587 2.384 0 N-CA-C 104.637 -2.357 . . . . 0.0 104.637 -178.309 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 pp -132.96 4.53 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.402 2.848 0 N-CA-C 118.233 2.679 . . . . 0.0 118.233 -148.165 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.585 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -112.84 -104.18 0.4 Allowed 'General case' 0 CA--C 1.576 1.967 1 C-N-CA 132.74 4.416 . . . . 0.0 103.818 -172.61 . . . . . . . . 4 4 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.7 t 73.15 161.48 0.25 Allowed 'General case' 0 C--N 1.39 2.362 0 CA-C-O 122.074 0.94 . . . . 0.0 110.589 179.888 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -62.06 -28.5 69.64 Favored 'General case' 0 C--N 1.387 2.197 0 O-C-N 121.607 -0.683 . . . . 0.0 111.727 178.727 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -93.59 10.63 31.84 Favored 'General case' 0 CA--C 1.578 2.046 0 C-N-CA 127.826 2.45 . . . . 0.0 114.226 -176.047 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.5 t30 49.35 64.95 1.54 Allowed 'General case' 0 C--N 1.394 2.526 0 CA-C-N 121.666 2.03 . . . . 0.0 106.266 176.377 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 tp -146.81 171.78 3.48 Favored 'Isoleucine or valine' 0 C--N 1.386 2.159 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.739 -169.076 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . 0.252 16.8 mt -111.08 98.43 7.04 Favored 'Isoleucine or valine' 0 C--N 1.389 2.297 0 N-CA-C 105.465 -2.05 . . . . 0.0 105.465 174.713 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.76 108.44 4.67 Favored 'General case' 0 C--N 1.381 1.956 0 N-CA-C 100.611 -3.848 . . . . 0.0 100.611 -174.951 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -141.51 -175.84 4.51 Favored 'General case' 0 C--N 1.374 1.66 0 CA-C-N 109.548 -3.478 . . . . 0.0 111.727 -153.704 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -161.5 -159.19 9.9 Favored Glycine 0 C--N 1.391 3.589 0 C-N-CA 113.965 -3.969 . . . . 0.0 117.147 -168.661 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.8 t -130.41 117.95 20.47 Favored 'General case' 0 CA--C 1.575 1.929 0 CA-C-O 123.075 1.417 . . . . 0.0 109.156 -179.885 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -170.33 -79.96 0.05 OUTLIER Glycine 0 C--N 1.388 3.442 1 N-CA-C 102.025 -4.43 . . . . 0.0 102.025 175.058 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.482 42.0 t 65.55 -149.79 0.24 Allowed 'General case' 0 C--N 1.389 2.286 0 N-CA-C 116.374 1.991 . . . . 0.0 116.374 167.834 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 72.53 70.96 0.14 Allowed 'General case' 0 C--N 1.389 2.283 0 CA-C-N 113.553 -1.658 . . . . 0.0 106.525 -178.918 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 70.4 p -112.71 89.83 13.9 Favored Pre-proline 0 C--N 1.402 2.868 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 176.399 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -91.85 75.08 0.58 Allowed 'Trans proline' 0 C--N 1.414 3.992 0 N-CA-C 108.305 -1.46 . . . . 0.0 108.305 176.228 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.5 100.51 0.81 Allowed 'General case' 0 C--N 1.387 2.234 0 N-CA-C 103.5 -2.778 . . . . 0.0 103.5 -179.792 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -75.27 -11.32 84.23 Favored Glycine 0 C--N 1.394 3.772 0 CA-C-O 117.859 -1.523 . . . . 0.0 116.03 -174.035 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -105.12 29.82 6.07 Favored 'General case' 0 C--N 1.378 1.82 0 CA-C-N 120.437 2.119 . . . . 0.0 110.723 179.165 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.1 ttt -113.32 137.11 21.92 Favored Pre-proline 0 C--N 1.38 1.908 0 C-N-CA 125.998 1.719 . . . . 0.0 108.587 177.306 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -80.97 58.54 7.07 Favored 'Trans proline' 0 C--N 1.406 3.603 0 N-CA-C 110.43 -0.642 . . . . 0.0 110.43 173.797 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.93 155.86 28.06 Favored Glycine 0 C--N 1.387 3.396 0 C-N-CA 124.709 1.147 . . . . 0.0 110.27 176.881 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -55.46 161.33 7.58 Favored 'Trans proline' 0 C--N 1.393 2.899 0 N-CA-C 108.155 -1.517 . . . . 0.0 108.155 165.922 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -91.77 115.47 28.08 Favored 'General case' 0 C--N 1.379 1.887 0 N-CA-C 104.623 -2.362 . . . . 0.0 104.623 -179.97 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.7 m -118.06 118.97 33.36 Favored 'General case' 0 C--N 1.392 2.429 0 CA-C-O 123.3 1.524 . . . . 0.0 109.553 -166.936 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 36.3 t -97.1 174.98 6.47 Favored 'General case' 0 C--N 1.379 1.89 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.214 173.498 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.27 42.52 2.73 Favored 'General case' 0 C--N 1.385 2.142 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -169.757 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.1 t -172.73 106.35 0.16 Allowed 'General case' 0 C--N 1.388 2.244 0 N-CA-C 106.037 -1.838 . . . . 0.0 106.037 174.543 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.51 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 8.1 t0 64.84 -167.54 0.22 Allowed 'General case' 0 C--N 1.389 2.294 0 CA-C-O 122.655 1.217 . . . . 0.0 110.595 179.276 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.51 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.271 0.0 OUTLIER -55.62 -40.84 72.65 Favored 'General case' 0 C--N 1.385 2.149 0 CA-C-O 116.316 -1.802 . . . . 0.0 111.941 -177.82 . . . . . . . . 4 4 . 1 . 035 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 52.4 t 45.48 67.73 0.68 Allowed 'General case' 0 C--N 1.384 2.084 0 CA-C-N 121.084 1.766 . . . . 0.0 107.49 174.759 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.9 m120 86.45 65.92 0.01 OUTLIER 'General case' 0 C--N 1.392 2.435 0 C-N-CA 125.439 1.496 . . . . 0.0 110.245 169.116 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 18.6 tp . . . . . 0 CA--C 1.587 2.388 0 C-N-CA 126.104 1.762 . . . . 0.0 107.74 175.759 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.448 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.531 3.614 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 . . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.5 mp -83.85 118.11 30.67 Favored 'Isoleucine or valine' 0 C--N 1.392 2.446 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 -176.336 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.2 p -143.13 148.09 36.03 Favored 'General case' 0 C--N 1.384 2.072 0 CA-C-O 122.799 1.285 . . . . 0.0 109.166 168.514 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.9 m-30 -87.43 177.59 7.06 Favored 'General case' 0 C--N 1.389 2.317 0 N-CA-C 115.804 1.779 . . . . 0.0 115.804 -160.506 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 35.4 p-10 -149.08 44.97 0.99 Allowed 'General case' 0 C--N 1.387 2.233 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 172.784 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.184 12.1 m170 -81.29 -162.51 0.51 Allowed 'General case' 0 C--N 1.389 2.308 0 C-N-CA 127.795 2.438 . . . . 0.0 114.514 -175.911 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.352 3.1 mp 69.59 -171.28 0.17 Allowed 'General case' 0 C--N 1.388 2.256 0 C-N-CA 124.979 1.312 . . . . 0.0 113.284 174.927 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 87.89 -53.47 4.25 Favored Glycine 0 C--N 1.386 3.312 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 -170.575 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.0 m -169.75 -49.16 0.02 OUTLIER 'General case' 0 C--N 1.382 1.982 0 N-CA-C 106.445 -1.687 . . . . 0.0 106.445 -171.768 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 84.7 mttt -100.26 130.52 25.76 Favored Pre-proline 0 CA--C 1.579 2.077 0 CA-C-O 118.476 -0.773 . . . . 0.0 110.18 -177.018 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -97.65 -9.39 0.65 Allowed 'Trans proline' 0 C--N 1.412 3.918 0 N-CA-C 118.438 2.438 . . . . 0.0 118.438 -179.359 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -86.67 -16.82 3.56 Favored 'Trans proline' 0 C--N 1.401 3.34 1 N-CA-C 125.015 4.967 . . . . 0.0 125.015 -174.442 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.7 p -79.42 150.43 31.31 Favored 'General case' 0 C--N 1.395 2.55 0 CA-C-N 124.895 3.498 . . . . 0.0 114.913 -173.181 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 61.2 p -142.27 159.23 42.64 Favored 'General case' 0 C--N 1.383 2.04 0 CA-C-N 111.552 -2.567 . . . . 0.0 111.298 -170.47 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -129.42 103.31 6.83 Favored 'General case' 0 C--N 1.386 2.162 0 CA-C-O 123.031 1.396 . . . . 0.0 107.353 -176.102 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 79.2 m -76.43 106.29 7.98 Favored 'General case' 0 C--N 1.392 2.445 0 N-CA-C 102.208 -3.256 . . . . 0.0 102.208 173.481 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.8 t -116.23 153.32 32.08 Favored 'General case' 0 C--N 1.385 2.144 0 O-C-N 121.493 -0.754 . . . . 0.0 111.65 -169.651 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -105.46 26.5 9.38 Favored 'General case' 0 C--N 1.383 2.035 0 C-N-CA 124.47 1.108 . . . . 0.0 111.048 176.338 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.434 ' HB2' ' SG ' ' A' ' 37' ' ' CYS . 45.7 mt-10 -110.75 114.92 28.66 Favored 'General case' 0 C--N 1.383 2.023 0 N-CA-C 101.296 -3.594 . . . . 0.0 101.296 171.259 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.448 ' OD2' ' N ' ' A' ' 1' ' ' ARG 2.175 72.6 m-20 -57.32 1.3 0.04 OUTLIER 'General case' 0 CA--C 1.584 2.281 0 N-CA-C 116.645 2.091 . . . . 0.0 116.645 -171.453 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 69.2 m -151.54 155.95 39.53 Favored 'General case' 0 C--N 1.381 1.969 0 CA-C-N 121.094 1.77 . . . . 0.0 108.955 -178.734 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.8 p -149.09 153.29 37.57 Favored 'General case' 0 C--N 1.382 2.018 0 C-N-CA 117.611 -1.636 . . . . 0.0 112.526 -177.569 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -112.67 144.07 42.81 Favored 'General case' 0 C--N 1.384 2.078 0 CA-C-O 123.33 1.538 . . . . 0.0 112.612 -162.179 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.424 ' NZ ' ' O ' ' A' ' 59' ' ' LEU . 14.8 mtpp -100.42 115.69 30.63 Favored 'General case' 0 C--N 1.383 2.046 0 N-CA-C 104.484 -2.413 . . . . 0.0 104.484 177.141 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.551 ' CG ' ' HE1' ' A' ' 27' ' ' TRP . 2.4 t30 -115.34 123.98 50.11 Favored 'General case' 0 CA--C 1.578 2.039 0 N-CA-C 102.445 -3.169 . . . . 0.0 102.445 -176.291 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -135.43 -6.33 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.405 3.003 0 N-CA-C 117.94 2.57 . . . . 0.0 117.94 -147.064 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.551 ' HE1' ' CG ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -87.89 -105.46 0.07 Allowed 'General case' 0 CA--C 1.578 2.032 1 C-N-CA 131.991 4.116 . . . . 0.0 106.237 -177.793 . . . . . . . . 4 4 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.0 t 75.18 160.42 0.23 Allowed 'General case' 0 C--N 1.391 2.385 0 C-N-CA 123.952 0.901 . . . . 0.0 111.627 178.874 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 11.7 p90 -67.13 -35.93 80.8 Favored 'General case' 0 C--N 1.389 2.313 0 O-C-N 121.437 -0.789 . . . . 0.0 112.168 -179.247 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -83.02 -9.53 59.22 Favored 'General case' 0 CA--C 1.568 1.658 0 C-N-CA 129.093 2.957 . . . . 0.0 113.002 -179.072 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 69.97 79.47 0.19 Allowed 'General case' 0 C--N 1.393 2.491 0 CA-C-N 122.28 2.309 . . . . 0.0 105.409 179.259 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 tp -159.35 157.23 3.21 Favored 'Isoleucine or valine' 0 C--N 1.391 2.396 0 C-N-CA 118.308 -1.357 . . . . 0.0 112.138 -173.492 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 11.2 mt -92.79 112.22 25.77 Favored 'Isoleucine or valine' 0 C--N 1.389 2.285 0 N-CA-C 104.372 -2.455 . . . . 0.0 104.372 170.741 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.61 115.49 3.98 Favored 'General case' 0 C--N 1.382 1.993 0 N-CA-C 100.848 -3.76 . . . . 0.0 100.848 -177.46 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.2 -168.48 2.63 Favored 'General case' 0 C--N 1.388 2.282 0 CA-C-N 113.565 -1.652 . . . . 0.0 113.304 -153.772 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -165.75 -171.25 31.72 Favored Glycine 0 C--N 1.394 3.795 1 C-N-CA 113.417 -4.23 . . . . 0.0 119.335 -176.507 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.434 ' SG ' ' HB2' ' A' ' 19' ' ' GLU . 50.9 t -83.92 116.53 22.83 Favored 'General case' 0 C--N 1.384 2.102 0 CA-C-N 113.241 -1.479 . . . . 0.0 108.649 -174.872 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.25 -95.73 0.1 Allowed Glycine 1 C--N 1.4 4.136 0 C-N-CA 116.832 -2.604 . . . . 0.0 106.865 179.874 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.376 42.7 t 83.61 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.386 2.181 0 CA-C-O 122.236 1.017 . . . . 0.0 109.019 178.448 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -60.34 102.31 0.17 Allowed 'General case' 0 CA--C 1.587 2.399 0 N-CA-C 103.186 -2.894 . . . . 0.0 103.186 179.382 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 69.5 p -107.67 109.17 62.3 Favored Pre-proline 0 C--N 1.398 2.695 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 -171.713 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -91.03 54.78 1.01 Allowed 'Trans proline' 0 C--N 1.397 3.12 0 N-CA-C 107.428 -1.797 . . . . 0.0 107.428 -177.768 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.407 HH11 ' CG ' ' A' ' 43' ' ' ARG . 2.3 ttt-85 -161.99 94.93 0.95 Allowed 'General case' 0 C--N 1.386 2.177 0 N-CA-C 105.092 -2.188 . . . . 0.0 105.092 -177.793 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -83.71 6.82 72.12 Favored Glycine 0 C--N 1.391 3.637 0 CA-C-O 117.204 -1.887 . . . . 0.0 115.384 -178.936 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -107.29 30.57 6.11 Favored 'General case' 0 C--N 1.383 2.03 0 CA-C-N 121.231 2.516 . . . . 0.0 110.498 176.02 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.4 tpt -157.37 120.2 2.15 Favored Pre-proline 0 C--N 1.378 1.846 0 N-CA-C 104.654 -2.35 . . . . 0.0 104.654 177.526 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -73.92 112.98 3.67 Favored 'Trans proline' 0 C--N 1.394 2.972 0 N-CA-C 103.877 -3.163 . . . . 0.0 103.877 177.391 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -68.19 160.41 50.87 Favored Glycine 0 C--N 1.391 3.606 0 O-C-N 120.46 -1.4 . . . . 0.0 114.04 -177.96 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -50.04 146.41 17.31 Favored 'Trans proline' 0 C--N 1.39 2.763 0 N-CA-C 107.223 -1.876 . . . . 0.0 107.223 167.69 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -75.78 155.09 35.81 Favored 'General case' 0 C--N 1.393 2.457 0 CA-C-N 114.52 -1.218 . . . . 0.0 111.353 -178.186 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 2.8 m -118.76 161.57 19.91 Favored 'General case' 0 C--N 1.389 2.289 0 N-CA-C 116.886 2.18 . . . . 0.0 116.886 -166.606 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.8 t -141.9 140.17 32.77 Favored 'General case' 0 C--N 1.379 1.886 0 CA-C-N 112.283 -2.235 . . . . 0.0 107.537 174.686 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -130.26 64.11 1.54 Allowed 'General case' 0 C--N 1.375 1.713 0 N-CA-C 106.44 -1.689 . . . . 0.0 106.44 -176.654 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.0 m -160.0 76.12 0.62 Allowed 'General case' 0 C--N 1.386 2.169 0 N-CA-C 104.901 -2.259 . . . . 0.0 104.901 -175.969 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.526 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 21.9 t0 58.38 -148.74 0.47 Allowed 'General case' 0 CA--C 1.589 2.444 0 CA-C-O 123.697 1.713 . . . . 0.0 107.926 177.874 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.526 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 0.0 OUTLIER -60.46 -30.32 69.59 Favored 'General case' 0 C--N 1.382 1.989 0 CA-C-N 114.263 -1.335 . . . . 0.0 111.61 179.876 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 49.4 t 51.37 59.29 4.7 Favored 'General case' 0 C--N 1.387 2.221 0 CA-C-N 121.08 1.764 . . . . 0.0 107.26 177.479 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 25.6 m120 52.17 71.21 0.48 Allowed 'General case' 0 C--N 1.388 2.247 0 C-N-CA 127.325 2.25 . . . . 0.0 108.785 170.802 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.424 ' O ' ' NZ ' ' A' ' 24' ' ' LYS . 18.3 mt . . . . . 0 CA--C 1.587 2.368 0 C-N-CA 129.527 3.131 . . . . 0.0 108.173 173.96 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.467 ' N ' ' OD2' ' A' ' 20' ' ' ASP . 0.0 OUTLIER . . . . . 1 N--CA 1.543 4.203 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 . . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -92.55 131.04 40.72 Favored 'Isoleucine or valine' 0 C--N 1.39 2.335 0 CA-C-N 119.379 0.99 . . . . 0.0 109.851 -174.579 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.0 m -136.9 158.17 45.07 Favored 'General case' 0 C--N 1.392 2.421 0 CA-C-O 121.858 0.837 . . . . 0.0 109.121 164.29 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -80.08 161.88 25.1 Favored 'General case' 0 C--N 1.382 2.021 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 -171.176 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -144.74 58.68 1.31 Allowed 'General case' 0 C--N 1.389 2.297 0 N-CA-C 103.215 -2.883 . . . . 0.0 103.215 164.129 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.145 14.5 m170 -108.87 -170.95 1.75 Allowed 'General case' 0 C--N 1.386 2.19 0 C-N-CA 128.458 2.703 . . . . 0.0 113.276 -174.789 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . 0.284 14.9 mt 72.2 -166.62 0.13 Allowed 'General case' 0 C--N 1.38 1.907 0 CA-C-O 123.009 1.385 . . . . 0.0 113.123 174.129 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.33 46.4 93.0 Favored Glycine 0 C--N 1.38 2.983 0 N-CA-C 109.154 -1.578 . . . . 0.0 109.154 -171.978 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.7 m 109.56 -40.33 0.01 OUTLIER 'General case' 0 C--N 1.39 2.344 1 C-N-CA 131.872 4.069 . . . . 0.0 110.835 173.871 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -121.3 127.15 26.27 Favored Pre-proline 0 CA--C 1.584 2.272 0 CA-C-N 118.746 0.703 . . . . 0.0 112.249 -170.911 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -96.8 1.06 1.82 Allowed 'Trans proline' 0 C--N 1.407 3.612 0 N-CA-C 118.811 2.581 . . . . 0.0 118.811 -179.385 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -73.37 -17.62 23.85 Favored 'Trans proline' 0 C--N 1.403 3.437 1 N-CA-C 124.513 4.774 . . . . 0.0 124.513 -175.455 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.5 p -100.18 147.46 25.68 Favored 'General case' 0 C--N 1.396 2.605 0 CA-C-N 125.585 3.811 . . . . 0.0 116.136 -176.689 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 41.2 p -138.37 152.15 48.16 Favored 'General case' 0 C--N 1.383 2.032 0 CA-C-N 112.111 -2.313 . . . . 0.0 110.251 176.336 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -109.56 93.88 4.74 Favored 'General case' 0 C--N 1.381 1.94 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 -176.51 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.2 m -68.58 114.41 6.95 Favored 'General case' 0 C--N 1.398 2.682 0 N-CA-C 102.786 -3.042 . . . . 0.0 102.786 169.936 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -118.9 150.79 39.29 Favored 'General case' 0 C--N 1.394 2.542 0 CA-C-O 123.723 1.725 . . . . 0.0 114.884 -166.03 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -94.5 -11.05 30.4 Favored 'General case' 0 CA--C 1.578 2.032 0 CA-C-N 111.757 -2.474 . . . . 0.0 110.997 176.596 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -94.5 127.47 40.44 Favored 'General case' 0 C--N 1.397 2.634 0 N-CA-C 106.292 -1.744 . . . . 0.0 106.292 174.84 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.467 ' OD2' ' N ' ' A' ' 1' ' ' ARG 2.15 73.4 m-20 -62.5 -6.22 3.22 Favored 'General case' 0 C--N 1.389 2.295 0 C-N-CA 129.431 3.092 . . . . 0.0 118.332 -169.712 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 36.4 m -150.44 152.15 33.85 Favored 'General case' 0 C--N 1.375 1.697 0 CA-C-O 123.258 1.504 . . . . 0.0 108.126 -178.157 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 17.0 p -136.2 154.24 51.0 Favored 'General case' 0 C--N 1.378 1.81 0 CA-C-N 113.671 -1.604 . . . . 0.0 112.218 -178.057 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 45.0 p90 -114.13 122.02 45.57 Favored 'General case' 0 C--N 1.38 1.918 0 CA-C-N 113.682 -1.599 . . . . 0.0 108.895 -167.2 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -80.79 128.04 33.2 Favored 'General case' 0 C--N 1.397 2.67 0 CA-C-O 124.481 2.086 . . . . 0.0 105.844 172.987 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.72 HD22 ' HE1' ' A' ' 27' ' ' TRP . 1.0 OUTLIER -115.89 102.63 9.85 Favored 'General case' 0 CA--C 1.574 1.889 1 N-CA-C 97.193 -5.114 . . . . 0.0 97.193 -179.149 . . . . . . . . 4 4 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -111.63 21.75 5.62 Favored 'Isoleucine or valine' 0 C--N 1.388 2.252 0 N-CA-C 115.373 1.62 . . . . 0.0 115.373 -159.188 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.72 ' HE1' HD22 ' A' ' 25' ' ' ASN . 0.0 OUTLIER -140.7 -88.48 0.17 Allowed 'General case' 0 CA--C 1.568 1.664 0 C-N-CA 131.416 3.886 . . . . 0.0 102.996 -167.678 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.274 11.4 t 79.35 -100.24 0.02 OUTLIER 'General case' 0 C--N 1.387 2.216 0 C-N-CA 126.902 2.081 . . . . 0.0 106.313 173.134 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -153.77 48.59 0.65 Allowed 'General case' 0 C--N 1.393 2.471 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 172.637 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -172.41 -34.07 0.01 OUTLIER 'General case' 0 C--N 1.394 2.534 0 C-N-CA 118.105 -1.438 . . . . 0.0 112.157 -167.007 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 93.59 70.25 0.0 OUTLIER 'General case' 0 C--N 1.386 2.162 0 C-N-CA 127.306 2.243 . . . . 0.0 105.066 -178.438 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 tp -155.56 161.25 2.1 Favored 'Isoleucine or valine' 0 C--N 1.388 2.261 0 C-N-CA 120.356 -0.538 . . . . 0.0 111.18 -173.382 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 25.6 mm -89.23 102.94 13.54 Favored 'Isoleucine or valine' 0 C--N 1.393 2.491 0 N-CA-C 105.375 -2.083 . . . . 0.0 105.375 171.122 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.02 112.9 5.74 Favored 'General case' 0 C--N 1.385 2.117 0 N-CA-C 102.578 -3.119 . . . . 0.0 102.578 178.835 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.36 -175.41 5.2 Favored 'General case' 0 C--N 1.398 2.711 0 C-N-CA 116.766 -1.973 . . . . 0.0 116.25 -154.594 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -124.79 167.2 17.18 Favored Glycine 1 C--N 1.399 4.037 0 N-CA-C 118.679 2.232 . . . . 0.0 118.679 -168.448 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.2 t -110.32 110.6 21.46 Favored 'General case' 0 C--N 1.386 2.178 0 N-CA-C 105.962 -1.866 . . . . 0.0 105.962 176.729 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.56 -72.5 0.03 OUTLIER Glycine 0 C--N 1.392 3.684 0 N-CA-C 105.049 -3.22 . . . . 0.0 105.049 178.201 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.531 ' SG ' ' N ' ' A' ' 40' ' ' PHE 2.394 43.0 t 77.15 -166.35 0.05 Allowed 'General case' 0 C--N 1.387 2.203 0 N-CA-C 115.061 1.504 . . . . 0.0 115.061 173.821 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.531 ' N ' ' SG ' ' A' ' 39' ' ' CYS . 9.0 m-85 58.77 46.02 14.78 Favored 'General case' 0 C--N 1.38 1.915 0 CA-C-N 112.822 -1.99 . . . . 0.0 109.307 174.184 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.9 t -114.97 96.36 44.67 Favored Pre-proline 0 C--N 1.395 2.545 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 179.497 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -95.44 70.23 0.21 Allowed 'Trans proline' 0 C--N 1.398 3.158 0 N-CA-C 102.902 -3.538 . . . . 0.0 102.902 174.84 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.7 ttt85 -93.7 134.23 36.24 Favored 'General case' 0 C--N 1.387 2.234 0 CA-C-O 122.644 1.211 . . . . 0.0 110.534 -178.279 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -102.17 -156.28 25.97 Favored Glycine 0 C--N 1.391 3.623 0 C-N-CA 124.233 0.92 . . . . 0.0 112.295 171.97 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.304 5.2 p-10 55.4 47.48 21.13 Favored 'General case' 0 C--N 1.385 2.129 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 177.42 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 17.9 ttt 82.26 109.78 0.03 OUTLIER Pre-proline 0 C--N 1.393 2.496 0 C-N-CA 127.652 2.381 . . . . 0.0 105.124 -170.663 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -61.47 172.04 3.82 Favored 'Trans proline' 0 C--N 1.402 3.348 0 N-CA-C 120.905 3.386 . . . . 0.0 120.905 -174.026 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.93 175.16 54.88 Favored Glycine 0 C--N 1.391 3.632 0 CA-C-N 113.742 -1.572 . . . . 0.0 114.532 178.482 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -53.02 141.33 57.38 Favored 'Trans proline' 0 C--N 1.402 3.392 0 N-CA-C 104.183 -3.045 . . . . 0.0 104.183 166.27 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -76.97 154.27 33.73 Favored 'General case' 0 C--N 1.385 2.115 0 CA-C-N 114.237 -1.347 . . . . 0.0 111.921 -177.45 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 40.0 m -125.38 142.51 51.46 Favored 'General case' 0 C--N 1.388 2.279 0 CA-C-O 124.172 1.939 . . . . 0.0 114.01 -171.155 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 42.0 t -120.06 161.01 21.68 Favored 'General case' 0 C--N 1.378 1.831 0 CA-C-N 112.54 -2.118 . . . . 0.0 110.197 176.661 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -138.06 55.07 1.78 Allowed 'General case' 0 C--N 1.378 1.805 0 CA-C-N 114.87 -1.059 . . . . 0.0 109.229 -176.237 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 65.4 p -139.8 172.12 13.23 Favored 'General case' 0 C--N 1.384 2.098 0 C-N-CA 122.914 0.486 . . . . 0.0 111.224 176.053 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.456 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 30.3 t0 -68.93 124.41 23.65 Favored 'General case' 0 C--N 1.394 2.502 0 N-CA-C 105.686 -1.968 . . . . 0.0 105.686 174.816 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.456 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 38.9 mmtm 76.09 -63.67 0.38 Allowed 'General case' 0 C--N 1.39 2.336 0 C-N-CA 126.468 1.907 . . . . 0.0 112.833 172.328 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 56.6 m 79.42 27.22 0.38 Allowed 'General case' 0 CA--C 1.581 2.139 0 C-N-CA 126.688 1.995 . . . . 0.0 110.813 -174.217 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.8 t30 62.83 75.97 0.38 Allowed 'General case' 0 C--N 1.392 2.452 0 N-CA-C 106.159 -1.793 . . . . 0.0 106.159 176.369 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 CA--C 1.591 2.528 0 N-CA-C 105.587 -2.005 . . . . 0.0 105.587 -177.189 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.505 ' H1 ' ' CG ' ' A' ' 20' ' ' ASP . 0.8 OUTLIER . . . . . 0 N--CA 1.53 3.563 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 . . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 68.0 mt -83.93 117.41 29.48 Favored 'Isoleucine or valine' 0 C--N 1.396 2.594 0 N-CA-C 105.063 -2.199 . . . . 0.0 105.063 174.314 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.0 m -140.43 163.45 32.79 Favored 'General case' 0 C--N 1.386 2.195 0 O-C-N 120.799 -1.188 . . . . 0.0 110.525 174.931 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -75.81 151.74 37.44 Favored 'General case' 0 C--N 1.382 1.983 0 C-N-CA 118.957 -1.097 . . . . 0.0 113.387 -170.276 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -145.09 56.12 1.24 Allowed 'General case' 0 C--N 1.386 2.176 0 N-CA-C 102.851 -3.018 . . . . 0.0 102.851 166.638 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.16 7.6 m170 -99.61 -175.63 3.04 Favored 'General case' 0 C--N 1.387 2.226 0 C-N-CA 125.601 1.561 . . . . 0.0 112.556 -178.946 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.4 mp 69.55 176.57 0.27 Allowed 'General case' 0 C--N 1.384 2.075 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 172.761 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.49 58.67 12.17 Favored Glycine 0 C--N 1.387 3.406 0 CA-C-O 117.898 -1.501 . . . . 0.0 110.098 -176.629 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 77.7 m 117.04 -41.12 0.01 OUTLIER 'General case' 0 C--N 1.393 2.496 0 C-N-CA 129.957 3.303 . . . . 0.0 110.53 174.026 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -144.29 126.76 8.41 Favored Pre-proline 0 CA--C 1.583 2.225 0 CA-C-O 118.929 -0.558 . . . . 0.0 110.668 -172.541 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . 0.271 14.0 Cg_endo -88.1 5.0 5.53 Favored 'Trans proline' 1 CA--C 1.605 4.073 0 N-CA-C 119.657 2.907 . . . . 0.0 119.657 179.599 . . . . . . . . 3 2 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 0.2 OUTLIER -84.0 -25.02 2.45 Favored 'Trans proline' 0 C--N 1.41 3.808 1 N-CA-C 127.763 6.024 . . . . 0.0 127.763 -176.402 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.6 p -91.82 149.54 21.53 Favored 'General case' 0 C--N 1.396 2.602 0 CA-C-N 125.098 3.59 . . . . 0.0 118.866 -172.315 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.5 p -129.22 137.95 51.41 Favored 'General case' 0 C--N 1.381 1.971 0 CA-C-N 110.7 -2.955 . . . . 0.0 106.064 166.567 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -98.18 116.31 30.14 Favored 'General case' 0 C--N 1.376 1.729 0 CA-C-N 115.148 -0.933 . . . . 0.0 108.55 -171.845 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.8 m -76.95 98.46 4.93 Favored 'General case' 0 C--N 1.392 2.444 0 N-CA-C 102.596 -3.113 . . . . 0.0 102.596 173.501 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.4 t -118.64 151.17 38.43 Favored 'General case' 0 C--N 1.39 2.345 0 CA-C-O 122.571 1.177 . . . . 0.0 112.296 -170.871 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -102.19 63.63 0.9 Allowed 'General case' 0 C--N 1.378 1.846 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 179.614 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -146.01 111.97 5.67 Favored 'General case' 0 CA--C 1.572 1.792 1 N-CA-C 99.949 -4.093 . . . . 0.0 99.949 174.268 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.505 ' CG ' ' H1 ' ' A' ' 1' ' ' ARG 2.12 4.1 m-20 -61.52 4.12 0.11 Allowed 'General case' 0 CA--C 1.585 2.314 0 C-N-CA 128.383 2.673 . . . . 0.0 116.393 -166.911 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.8 t -159.3 157.72 31.06 Favored 'General case' 0 C--N 1.381 1.977 0 CA-C-N 120.919 1.69 . . . . 0.0 107.843 -176.727 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.9 p -149.49 150.36 32.21 Favored 'General case' 0 C--N 1.391 2.395 0 C-N-CA 117.512 -1.675 . . . . 0.0 115.222 -176.373 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.7 p90 -118.16 149.99 40.14 Favored 'General case' 0 C--N 1.386 2.158 0 N-CA-C 115.115 1.524 . . . . 0.0 115.115 -163.846 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.589 ' NZ ' ' C ' ' A' ' 59' ' ' LEU . 43.6 mttm -100.11 115.64 30.27 Favored 'General case' 0 C--N 1.388 2.255 0 N-CA-C 105.137 -2.172 . . . . 0.0 105.137 -177.613 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.677 ' HA ' ' HE1' ' A' ' 27' ' ' TRP . 0.4 OUTLIER -113.16 115.93 29.03 Favored 'General case' 0 CA--C 1.58 2.104 0 N-CA-C 101.313 -3.588 . . . . 0.0 101.313 -177.406 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.01 42.72 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.388 2.275 0 CA-C-O 123.413 1.578 . . . . 0.0 111.78 -165.747 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.677 ' HE1' ' HA ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -148.81 -83.27 0.11 Allowed 'General case' 0 C--N 1.371 1.535 0 N-CA-C 103.952 -2.61 . . . . 0.0 103.952 -168.47 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . 0.261 10.2 t 70.87 -90.04 0.03 OUTLIER 'General case' 0 CA--C 1.583 2.222 0 N-CA-C 104.911 -2.255 . . . . 0.0 104.911 -175.424 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -179.51 -47.71 0.01 OUTLIER 'General case' 0 C--N 1.384 2.088 0 N-CA-C 103.977 -2.601 . . . . 0.0 103.977 -177.043 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -64.93 -2.96 2.96 Favored 'General case' 0 CA--C 1.584 2.264 0 C-N-CA 130.191 3.396 . . . . 0.0 112.636 170.472 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 70.71 73.38 0.2 Allowed 'General case' 0 C--N 1.395 2.563 0 CA-C-N 122.181 2.264 . . . . 0.0 108.262 173.039 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.7 tp -163.03 162.03 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.394 2.523 0 C-N-CA 118.106 -1.438 . . . . 0.0 113.601 -174.291 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 18.3 mt -91.96 97.22 6.98 Favored 'Isoleucine or valine' 0 C--N 1.389 2.308 0 N-CA-C 105.068 -2.197 . . . . 0.0 105.068 174.185 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.0 ttp85 -146.02 120.66 9.8 Favored 'General case' 0 C--N 1.384 2.098 0 N-CA-C 101.813 -3.403 . . . . 0.0 101.813 -179.476 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -150.63 -169.43 3.38 Favored 'General case' 0 C--N 1.385 2.125 0 CA-C-N 113.75 -1.568 . . . . 0.0 113.418 -153.937 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -168.15 -176.76 38.86 Favored Glycine 0 C--N 1.396 3.877 1 C-N-CA 112.771 -4.537 . . . . 0.0 119.382 -172.583 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.8 p -94.05 119.4 32.86 Favored 'General case' 0 C--N 1.387 2.239 0 CA-C-N 114.168 -1.016 . . . . 0.0 110.358 -178.251 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -171.18 -88.67 0.07 OUTLIER Glycine 0 C--N 1.395 3.835 0 N-CA-C 106.001 -2.84 . . . . 0.0 106.001 172.561 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . 2.361 43.5 t 87.24 -56.25 0.04 OUTLIER 'General case' 0 C--N 1.383 2.042 0 CA-C-N 113.164 -1.518 . . . . 0.0 111.251 176.101 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -80.28 77.96 6.99 Favored 'General case' 0 CA--C 1.581 2.138 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 -169.828 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 75.8 p -96.03 134.89 23.18 Favored Pre-proline 0 C--N 1.394 2.524 0 C-N-CA 124.44 1.096 . . . . 0.0 109.79 -176.675 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -63.94 144.82 89.04 Favored 'Trans proline' 0 C--N 1.398 3.174 0 C-N-CA 120.91 1.073 . . . . 0.0 112.516 174.783 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -88.57 82.4 6.91 Favored 'General case' 0 C--N 1.393 2.463 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 -178.146 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -112.07 37.63 3.6 Favored Glycine 0 C--N 1.39 3.547 0 CA-C-O 119.134 -0.814 . . . . 0.0 111.552 174.246 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.305 7.0 m-20 59.58 41.07 19.49 Favored 'General case' 0 C--N 1.384 2.108 0 C-N-CA 124.942 1.297 . . . . 0.0 108.649 -178.873 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.2 tpt -123.19 93.13 48.43 Favored Pre-proline 0 C--N 1.386 2.169 0 N-CA-C 101.651 -3.463 . . . . 0.0 101.651 174.239 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -68.31 109.13 1.93 Allowed 'Trans proline' 0 C--N 1.396 3.036 0 N-CA-C 106.429 -2.181 . . . . 0.0 106.429 178.807 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.42 168.11 54.01 Favored Glycine 0 C--N 1.391 3.631 0 O-C-N 120.488 -1.383 . . . . 0.0 111.334 178.144 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 0.1 OUTLIER -51.26 155.67 6.4 Favored 'Trans proline' 0 C--N 1.386 2.513 0 C-N-CA 121.614 1.543 . . . . 0.0 111.603 170.359 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -79.84 138.81 37.29 Favored 'General case' 0 CA--C 1.575 1.92 0 CA-C-N 114.0 -1.455 . . . . 0.0 110.136 -177.662 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 4.3 m -119.21 161.96 19.49 Favored 'General case' 0 C--N 1.399 2.745 0 N-CA-C 118.782 2.882 . . . . 0.0 118.782 -163.953 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.6 t -138.03 150.57 47.06 Favored 'General case' 0 C--N 1.387 2.213 0 CA-C-N 113.743 -1.572 . . . . 0.0 111.009 177.897 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.55 53.01 1.0 Allowed 'General case' 0 C--N 1.379 1.854 0 O-C-N 121.436 -0.79 . . . . 0.0 109.033 -174.753 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.1 t -147.38 151.44 36.51 Favored 'General case' 0 C--N 1.382 1.999 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.541 -173.318 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.455 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 26.4 t70 -60.42 126.61 28.13 Favored 'General case' 0 C--N 1.398 2.711 0 N-CA-C 105.36 -2.089 . . . . 0.0 105.36 179.805 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.455 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP . 40.1 mmtm 72.43 -72.07 0.12 Allowed 'General case' 0 C--N 1.388 2.248 0 C-N-CA 125.716 1.606 . . . . 0.0 109.568 178.896 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . 0.268 30.3 t 78.92 31.08 0.32 Allowed 'General case' 0 CA--C 1.576 1.98 0 C-N-CA 127.322 2.249 . . . . 0.0 109.759 -178.281 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 64.8 t30 60.56 72.86 0.5 Allowed 'General case' 0 C--N 1.394 2.522 0 N-CA-C 106.147 -1.797 . . . . 0.0 106.147 176.174 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.589 ' C ' ' NZ ' ' A' ' 24' ' ' LYS . 20.6 mt . . . . . 0 CA--C 1.602 2.967 0 C-N-CA 126.304 1.842 . . . . 0.0 108.489 -179.281 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.479 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 0.9 OUTLIER . . . . . 0 N--CA 1.536 3.841 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 . . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.1 mt -79.29 125.59 38.62 Favored 'Isoleucine or valine' 0 C--N 1.392 2.422 0 CA-C-O 122.682 1.229 . . . . 0.0 108.601 -179.774 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.6 m -142.74 151.11 40.94 Favored 'General case' 0 C--N 1.387 2.21 0 N-CA-C 106.764 -1.569 . . . . 0.0 106.764 162.672 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -92.4 157.72 16.45 Favored 'General case' 0 C--N 1.387 2.199 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 -168.814 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 30.4 p30 -128.17 22.73 6.1 Favored 'General case' 0 C--N 1.384 2.066 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -177.553 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . 2.22 2.3 m-70 -75.55 -169.99 1.16 Allowed 'General case' 0 C--N 1.39 2.333 0 N-CA-C 115.493 1.664 . . . . 0.0 115.493 -168.98 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.0 mt 72.9 -168.99 0.13 Allowed 'General case' 0 C--N 1.393 2.467 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 171.157 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.22 -51.1 2.77 Favored Glycine 0 C--N 1.384 3.241 0 CA-C-N 114.518 -1.219 . . . . 0.0 110.265 -172.202 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 55.4 m -172.94 -48.96 0.02 OUTLIER 'General case' 0 C--N 1.38 1.908 0 N-CA-C 105.09 -2.189 . . . . 0.0 105.09 -178.824 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -76.84 151.41 82.24 Favored Pre-proline 0 C--N 1.393 2.489 0 C-N-CA 119.489 -0.885 . . . . 0.0 112.095 -178.693 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -61.7 172.44 3.68 Favored 'Trans proline' 0 C--N 1.402 3.366 0 C-N-CA 122.568 2.179 . . . . 0.0 115.392 -179.285 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_exo -52.41 145.76 35.38 Favored 'Trans proline' 0 C--N 1.395 2.995 0 C-N-CA 122.788 2.325 . . . . 0.0 116.54 -179.236 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.0 m -168.55 155.92 7.72 Favored 'General case' 0 C--N 1.387 2.231 0 CA-C-N 113.394 -1.73 . . . . 0.0 106.92 -178.821 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.5 p -143.62 155.63 44.32 Favored 'General case' 0 C--N 1.384 2.086 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 -164.383 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -119.24 120.16 36.2 Favored 'General case' 0 C--N 1.386 2.177 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 177.658 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 47.7 m -95.23 90.1 5.74 Favored 'General case' 0 C--N 1.388 2.254 0 N-CA-C 100.954 -3.721 . . . . 0.0 100.954 175.588 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.426 ' O ' ' N ' ' A' ' 1' ' ' ARG . 44.5 t -118.49 162.69 17.94 Favored 'General case' 0 C--N 1.386 2.191 0 CA-C-O 122.591 1.186 . . . . 0.0 114.143 -164.365 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -101.42 1.02 37.89 Favored 'General case' 0 C--N 1.376 1.727 0 CA-C-N 113.526 -1.67 . . . . 0.0 112.992 -177.691 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -77.3 115.67 17.27 Favored 'General case' 0 C--N 1.399 2.73 0 N-CA-C 104.781 -2.303 . . . . 0.0 104.781 176.544 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 1' ' ' ARG 2.192 67.4 m-20 -60.85 -12.77 12.0 Favored 'General case' 0 C--N 1.388 2.243 0 C-N-CA 126.515 1.926 . . . . 0.0 115.686 -169.407 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.6 t -127.34 122.12 32.88 Favored 'General case' 0 C--N 1.379 1.849 0 N-CA-C 104.158 -2.534 . . . . 0.0 104.158 177.816 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.387 18.3 p -121.23 146.23 47.02 Favored 'General case' 0 C--N 1.388 2.26 0 CA-C-O 123.117 1.437 . . . . 0.0 111.551 179.581 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -124.48 160.69 27.69 Favored 'General case' 0 C--N 1.386 2.157 0 N-CA-C 116.103 1.89 . . . . 0.0 116.103 -158.062 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.588 ' HZ2' ' C ' ' A' ' 59' ' ' LEU . 68.4 mmtt -107.23 124.88 50.39 Favored 'General case' 0 C--N 1.386 2.193 0 CA-C-N 112.236 -2.256 . . . . 0.0 107.549 175.814 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.513 ' H ' ' HB3' ' A' ' 35' ' ' ARG . 0.4 OUTLIER -119.54 108.31 14.36 Favored 'General case' 0 CA--C 1.572 1.822 0 N-CA-C 101.532 -3.507 . . . . 0.0 101.532 177.32 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -123.84 -31.3 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.398 2.688 0 N-CA-C 117.674 2.472 . . . . 0.0 117.674 -155.819 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.569 ' N ' ' CD1' ' A' ' 27' ' ' TRP . 0.0 OUTLIER -56.94 -106.05 0.0 OUTLIER 'General case' 0 CA--C 1.596 2.725 0 C-N-CA 131.402 3.881 . . . . 0.0 106.715 168.848 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.6 t 71.8 158.61 0.2 Allowed 'General case' 0 C--N 1.393 2.457 0 CA-C-O 123.518 1.628 . . . . 0.0 112.9 177.41 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -67.02 -35.42 79.89 Favored 'General case' 0 C--N 1.386 2.179 0 CA-C-N 114.408 -1.269 . . . . 0.0 111.451 175.488 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . 0.259 16.9 p30 -86.27 9.42 17.81 Favored 'General case' 0 CA--C 1.582 2.187 0 C-N-CA 126.293 1.837 . . . . 0.0 113.0 -178.405 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.7 t30 58.04 65.36 1.31 Allowed 'General case' 0 C--N 1.399 2.72 0 CA-C-N 121.397 1.908 . . . . 0.0 106.049 173.001 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 tp -163.07 158.08 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.396 2.625 0 C-N-CA 115.45 -2.5 . . . . 0.0 114.681 -167.262 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -103.72 89.11 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.386 2.156 0 N-CA-C 104.67 -2.345 . . . . 0.0 104.67 -177.664 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.1 ttp85 -126.66 108.14 10.82 Favored 'General case' 0 C--N 1.382 2.02 0 N-CA-C 103.694 -2.706 . . . . 0.0 103.694 -175.601 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.513 ' HB3' ' H ' ' A' ' 25' ' ' ASN . 0.0 OUTLIER -152.0 -159.53 1.03 Allowed 'General case' 0 C--N 1.396 2.619 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -157.562 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 169.03 -166.26 39.56 Favored Glycine 0 C--N 1.394 3.76 0 C-N-CA 114.759 -3.591 . . . . 0.0 118.258 -175.228 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.4 p -87.57 126.09 34.73 Favored 'General case' 0 C--N 1.391 2.371 0 CA-C-O 121.749 0.785 . . . . 0.0 109.967 177.522 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -167.68 -87.61 0.07 OUTLIER Glycine 0 C--N 1.396 3.872 0 N-CA-C 105.491 -3.043 . . . . 0.0 105.491 175.876 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.462 ' SG ' ' N ' ' A' ' 40' ' ' PHE 2.454 52.8 t 64.95 -163.79 0.25 Allowed 'General case' 0 C--N 1.383 2.038 0 N-CA-C 116.064 1.875 . . . . 0.0 116.064 172.875 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 40' ' ' PHE . . . . . 0.462 ' N ' ' SG ' ' A' ' 39' ' ' CYS 0.264 27.5 m-85 60.05 40.87 18.09 Favored 'General case' 0 C--N 1.38 1.894 0 CA-C-N 112.081 -2.327 . . . . 0.0 109.302 -177.434 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.1 t -116.26 101.47 53.82 Favored Pre-proline 0 C--N 1.389 2.32 0 N-CA-C 102.801 -3.037 . . . . 0.0 102.801 173.464 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -79.31 85.72 1.8 Allowed 'Trans proline' 0 C--N 1.4 3.259 0 N-CA-C 105.501 -2.538 . . . . 0.0 105.501 -179.448 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -92.51 145.98 24.03 Favored 'General case' 0 C--N 1.387 2.204 0 CA-C-N 114.986 -1.006 . . . . 0.0 112.621 -177.907 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -86.61 -84.62 1.11 Allowed Glycine 0 C--N 1.392 3.676 1 N-CA-C 102.814 -4.114 . . . . 0.0 102.814 171.305 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . 0.325 1.4 t70 -141.49 67.52 1.34 Allowed 'General case' 0 C--N 1.391 2.383 0 N-CA-C 102.484 -3.154 . . . . 0.0 102.484 158.935 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.3 ptm -112.97 178.19 1.02 Allowed Pre-proline 0 C--N 1.387 2.206 0 CA-C-N 113.241 -1.799 . . . . 0.0 111.472 -179.443 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -58.2 137.18 79.29 Favored 'Trans proline' 0 C--N 1.393 2.913 0 CA-C-O 122.915 1.131 . . . . 0.0 113.274 -177.027 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 124.54 154.32 8.82 Favored Glycine 0 C--N 1.391 3.595 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.686 -178.281 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -67.37 163.25 35.32 Favored 'Trans proline' 0 C--N 1.387 2.564 0 N-CA-C 115.163 1.178 . . . . 0.0 115.163 176.149 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . 0.287 11.3 p90 -90.14 136.43 33.06 Favored 'General case' 0 C--N 1.385 2.114 0 N-CA-C 106.711 -1.588 . . . . 0.0 106.711 176.6 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 4.0 m -115.37 164.23 14.56 Favored 'General case' 0 C--N 1.389 2.307 0 N-CA-C 115.296 1.591 . . . . 0.0 115.296 -164.214 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 5.9 t -141.73 159.02 43.09 Favored 'General case' 0 C--N 1.38 1.929 0 CA-C-N 113.877 -1.51 . . . . 0.0 110.344 -174.869 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -124.75 64.14 1.12 Allowed 'General case' 0 C--N 1.383 2.022 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 177.866 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 37.4 m -160.5 170.75 20.29 Favored 'General case' 0 C--N 1.387 2.224 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.935 177.606 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.538 ' OD2' ' NZ ' ' A' ' 56' ' ' LYS . 26.2 t0 -78.95 108.4 12.39 Favored 'General case' 0 CA--C 1.587 2.387 0 N-CA-C 105.759 -1.941 . . . . 0.0 105.759 -178.783 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.538 ' NZ ' ' OD2' ' A' ' 55' ' ' ASP 0.307 8.8 mptt 78.98 -55.64 0.45 Allowed 'General case' 0 C--N 1.396 2.611 0 C-N-CA 127.98 2.512 . . . . 0.0 114.554 176.473 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 38.4 m 67.33 45.3 1.65 Allowed 'General case' 0 CA--C 1.587 2.372 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -177.325 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.6 t30 70.51 79.24 0.18 Allowed 'General case' 0 C--N 1.394 2.504 0 N-CA-C 105.907 -1.886 . . . . 0.0 105.907 -179.916 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.588 ' C ' ' HZ2' ' A' ' 24' ' ' LYS . 1.6 mm? . . . . . 0 CA--C 1.597 2.76 0 C-N-CA 126.813 2.045 . . . . 0.0 110.152 175.422 . . . . . . . . 1 1 . 1 stop_ save_